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Temperature increase may disrupt trophic interactions by differentially changing body growth of the species involved. In this study, we tested whether the response of body growth to artificial warming (~2.2 °C) of a solitary koinobiont endo-parasitoid wasp (Pteromalus albipennis, Hymenoptera: Pteromalidae) differed from its main host tephritid fly (Tephritis femoralis, Diptera: Tephritidae; pre-dispersal seed predator), and whether the plant seed damage caused by wasp-parasitized and unparasitized maggots (larval flies) were altered by warming. In contrast to the significant and season-dependent effects of warming on body growth of the host tephritid fly reported in one of our previous studies, the effect of artificial warming on body growth was non-significant on the studied wasp. Moreover, the warming effect on seed damage due to unparasitized maggots was significant and varied with season, but the damage by parasitized maggots was not altered by warming. Distinct responses of body growth to warming between parasitoids studied here and hosts assessed in a previous study indicate that temperature increase may differentially affect life history traits of animals along food chains, which is likely to affect trophic interactions.

Differential responses of body growth to artificial warming between parasitoids and hosts and the consequences for plant seed damage.

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Materials at high pressures and temperatures are of great current interest for warm dense matter physics, planetary sciences, and inertial fusion energy research. Shock-compression equation-of-state data and optical reflectivities of the fluid dense oxide, Gd3Ga5O12 (GGG), were measured at extremely high pressures up to 2.6 TPa (26 Mbar) generated by high-power laser irradiation and magnetically-driven hypervelocity impacts. Above 0.75 TPa, the GGG Hugoniot data approach/reach a universal linear line of fluid metals, and the optical reflectivity most likely reaches a constant value indicating that GGG undergoes a crossover from fluid semiconductor to poor metal with minimum metallic conductivity (MMC). These results suggest that most fluid compounds, e.g., strong planetary oxides, reach a common state on the universal Hugoniot of fluid metals (UHFM) with MMC at sufficiently extreme pressures and temperatures. The systematic behaviors of warm dense fluid would be useful benchmarks for developing theoretical equation-of-state and transport models in the warm dense matter regime in determining computational predictions.

Dynamic compression of dense oxide (Gd3Ga5O12) from 0.4 to 2.6 TPa: Universal Hugoniot of fluid metals.

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Pulmonary function testing (PFT) allows for quantitative analysis of lung function. However, as a result of the coronavirus disease 2019 (COVID-19) pandemic, a majority of international medical societies have postponed PFTs in an effort to mitigate disease transmission, complicating the continuity of care in high-risk patients diagnosed with COVID-19 or preexisting lung pathologies. Here, we describe the development of a non-contact wearable pulmonary sensor for pulmonary waveform analysis, pulmonary volume quantification, and crude thoracic imaging using the eddy current (EC) phenomenon. Statistical regression analysis is performed to confirm the predictive validity of the sensor, and all data are continuously and digitally stored with a sampling rate of 6,660 samples/second. Wearable pulmonary function sensors may facilitate rapid point-of-care monitoring for high-risk individuals, especially during the COVID-19 pandemic, and easily interface with patient hospital records or telehealth services.

A wearable eddy current based pulmonary function sensor for continuous non-contact point-of-care monitoring during the COVID-19 pandemic.

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It is known that pig offspring born from pregnant pigs exposed to elevated ambient temperatures during gestation have altered phenotypes, possibly due to placental insufficiency and impaired fetal growth. Therefore, the objective of this study was to quantify the effect of maternal heat exposure during early-mid gestation, when pig placentae grow heavily, on placental and fetal development. Fifteen pregnant pigs were allocated to thermoneutral (TN; 20 °C; n = 7) or cyclic elevated temperature conditions (ET; 28 to 33 °C; n = 8) from d40 to d60 of gestation. Following euthanasia of the pigs on d60, placental and fetal morphometry and biochemistry were measured. Compared to TN fetuses, ET fetuses had increased (P = 0.041) placental weights and a lower (P = 0.013) placental efficiency (fetal/placental weight), although fetal weights were not significantly different. Fetuses from ET pigs had reduced (P = 0.032) M. longissimus fibre number density and a thicker (P = 0.017) placental epithelial layer compared to their TN counterparts. Elevated temperatures decreased (P = 0.026) placental mRNA expression of a glucose transporter (GLUT-3) and increased (P = 0.037) placental IGF-2 mRNA expression. In conclusion, controlled elevated temperatures between d40 to d60 of gestation reduced pig placental efficiency, resulting in compensatory growth of the placentae to maintain fetal development. Placental insufficiency during early-mid gestation may have implications for fetal development, possibly causing a long-term phenotypic change of the progeny.

Controlled elevated temperatures during early-mid gestation cause placental insufficiency and implications for fetal growth in pregnant pigs.

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Subjective refraction is the gold-standard for prescribing refractive correction, but its accuracy is limited by patient's subjective judgment about their clarity of vision. We asked if an involuntary eye movement, optokinetic nystagmus (OKN), could serve as an objective measure of visual-clarity, specifically measuring the dependence of OKN-elicited by drifting spatial-frequency filtered noise-on mean spherical equivalent (MSE) refractive error. In Experiment 1 we quantified OKN score-a measure of consistency with stimulus-direction-for participants with different MSEs. Estimates of MSE based on OKN scores correlate well with estimates of MSE made using autorefraction (r = 0.878, p < 0.001, Bland-Altman analysis: mean difference of 0.00D (95% limits of agreement: - 0.85 to + 0.85D). In Experiment 2, we quantified the relationship between OKN gain (ratio of tracking eye-movement velocity to stimulus velocity) and MSEs (- 2.00, - 1.00, - 0.50, 0.00 and + 1.00D) induced with contact lenses for each participant. The mean difference between measures of MSE based on autorefraction or on OKN gain was + 0.05D (- 0.90 to + 1.01D), and the correlation of these measures across participants was r = 0.976, p < 0.001. Results indicate that MSE attenuates OKN gain so that OKN can be used as an objective proxy for patient response to select the best corrective lens.

The effect of refractive error on optokinetic nystagmus.

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We introduce a concept that enables parallelized three-dimensional imaging throughout large volumes with isotropic 300-350 nm resolution. By staggering high aspect ratio illumination beams laterally and axially within the depth of focus of a digitally scanned light-sheet fluorescence microscope (LSFM), multiple image planes can be simultaneously imaged with minimal cross-talk and light loss. We present a first demonstration of this concept for parallelized imaging by synthesizing two light-sheets with nonlinear Bessel beams and perform volumetric imaging of fluorescent beads and invasive breast cancer cells. This work demonstrates that in principle any digitally scanned LSFM can be parallelized in a lossless manner, enabling drastically faster volumetric image acquisition rates for a given sample brightness and detector technology.

Lossless Three-Dimensional Parallelization in Digitally Scanned Light-Sheet Fluorescence Microscopy.

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Evidence shows that chronic rhinosinusitis (CRS) is associated with prior presence of autoimmune diseases; however, large-scale population-based studies in the literature are limited. We conducted a population-based case-control study investigating the association between CRS and premorbid autoimmune diseases by using the National Health Insurance Research Database in Taiwan. The CRS group included adult patients newly diagnosed with CRS between 2001 and 2013. The date of diagnosis was defined as the index date. The comparison group included individuals without CRS, with 1:4 frequency matching for gender, age, and index year. Premorbid diseases were forward traced to 1996. Univariate and multivariate logistic regression was performed to estimate odds ratios (ORs) and 95% confidence intervals. The CRS group consisted of 30,611 patients, and the comparison group consisted of 122,444 individuals. Patients with CRS had a higher significant association with premorbid autoimmune diseases (adjusted OR 1.39 [1.28-1.50]). Specifically, patients with CRS had a higher significant association with ankylosing spondylitis, polymyositis, psoriasis, rheumatoid arthritis, sicca syndrome, and systemic lupus erythematosus (adjusted OR 1.49 [1.34-1.67], 3.47 [1.12-10.8], 1.22 [1.04-1.43], 1.60 [1.31-1.96], 2.10 [1.63-2.72], and 1.69 [1.26-2.25]). In subgroup analysis, CRS with and without nasal polyps demonstrated a significant association with premorbid autoimmune diseases (adjusted OR 1.34 [1.14-1.58] and 1.50 [1.38-1.62]). In addition, CRS with fungal and non-fungal infections also demonstrated a significant association with premorbid autoimmune diseases (adjusted OR 2.02 [1.72-2.49] and 1.39 [1.28-1.51]). In conclusion, a significant association between CRS and premorbid autoimmune diseases has been identified. These underlying mechanisms need further investigation.

Chronic rhinosinusitis and premorbid autoimmune diseases: a population-based case-control study.

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Mendelian randomization (MR) is becoming more and more popular for inferring causal relationship between an exposure and a trait. Typically, instrument SNPs are selected from an exposure GWAS based on their summary statistics and the same summary statistics on the selected SNPs are used for subsequent analyses. However, this practice suffers from selection bias and can invalidate MR methods, as showcased via two popular methods: the summary data-based MR (SMR) method and the two-sample MR Steiger method. The SMR method is conservative while the MR Steiger method can be either conservative or liberal. A simple and yet more powerful alternative to SMR is proposed.

Effect of selection bias on two sample summary data based Mendelian randomization.

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We demonstrate a rapid, accurate, and convenient method for tailoring the optical properties of diamond surfaces by employing laser induced periodic surface structuring (LIPSSs). The characteristics of the fabricated photonic surfaces were adjusted by tuning the laser wavelength, number of impinging pulses, angle of incidence and polarization state. Using Finite Difference Time Domain (FDTD) modeling, the optical transmissivity and bandwidth was calculated for each fabricated LIPSSs morphology. The highest transmission of ~99.5% was obtained in the near-IR for LIPSSs structures with aspect ratios of the order of ~0.65. The present technique enabled us to identify the main laser parameters involved in the machining process, and to control it with a high degree of accuracy in terms of structure periodicity, morphology and aspect ratio. We also demonstrate and study the conditions for fabricating spatially coherent nanostructures over large areas maintaining a high degree of nanostructure repeatability and optical performance. While our experimental demonstrations have been mainly focused on diamond anti-reflection coatings and gratings, the technique can be easily extended to other materials and applications, such as integrated photonic devices, high power diamond optics, or the construction of photonic surfaces with tailored characteristics in general.

Tailoring diamond's optical properties via direct femtosecond laser nanostructuring.

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New analytic bending, buckling, and free vibration solutions of rectangular nanoplates with combinations of clamped and simply supported edges are obtained by an up-to-date symplectic superposition method. The problems are reformulated in the Hamiltonian system and symplectic space, where the mathematical solution framework involves the construction of symplectic eigenvalue problems and symplectic eigen expansion. The analytic symplectic solutions are derived for several elaborated fundamental subproblems, the superposition of which yields the final analytic solutions. Besides Lévy-type solutions, non-Lévy-type solutions are also obtained, which cannot be achieved by conventional analytic methods. Comprehensive numerical results can provide benchmarks for other solution methods.

New analytic bending, buckling, and free vibration solutions of rectangular nanoplates by the symplectic superposition method.

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Body ownership (the feeling that one's body belongs to oneself) is commonly studied with Rubber hand illusion (RHI) paradigm that allows inducing a temporary illusory feeling of ownership of a life-sized rubber hand. However, it remains unclear whether illusory ownership of the fake hand relies on the same mechanisms as ownership of one's own real hand. Here, we directly compared ownership of the own hand (OH) and fake hand (FH) in the same set of conditions within immersive virtual reality. We obtained behavioral (proprioceptive drift) and subjective (questionnaire) measures of ownership and disownership for virtual OH, FH and object (Obj) that were located congruently or incongruently with the participant's real hand and were stimulated synchronously or asynchronously with the real hand. Both OH and FH (but not Obj) were embodied after synchronous stimulation in both locations. Crucially, subjective ownership of the OH was stronger than of the FH in congruent location after synchronous stimulation. It was also present after asynchronous stimulation, being stronger when the virtual OH was subjectively more similar to the real hand. The results suggest that the detailed appearance of the body might act as an additional component in the construction of body ownership.

Visual appearance of the virtual hand affects embodiment in the virtual hand illusion.

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Plant evolutionary history influences the taxonomic composition of the root-associated bacterial community, but whether it can also modulate its functioning is unknown. Here, we tested the hypothesis that crop diversification is a significant factor determining the ecology of the functional group of nitrogen-fixing bacteria the rhizosphere of Poaceae. A greenhouse experiment was carried out using a range of Poaceae, i.e. four Zea mays varieties (from two genetic groups) and teosinte (representing maize's ancestor), sorghum (from the same Panicoideae subfamily), and wheat (from neighboring Pooideae subfamily), as well as the dicot tomato as external reference. Diazotroph rhizosphere community was characterized at 21 days in terms of size (quantitative PCR of nifH genes), composition (T-RFLP and partial sequencing of nifH alleles) and functioning (quantitative RT-PCR, T-RFLP and partial sequencing of nifH transcripts). Plant species and varieties had a significant effect on diazotroph community size and the number of nifH transcripts per root system. Contrarily to expectations, however, there was no relation between Poaceae evolutionary history and the size, diversity or expression of the rhizosphere diazotroph community. These results suggest a constant selection of this functional group through evolution for optimization of nitrogen fixation in the rhizosphere.

Is plant evolutionary history impacting recruitment of diazotrophs and nifH expression in the rhizosphere?

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Congenital amusia is a neurogenetic disorder that mainly affects the processing of musical pitch. Brain imaging evidence indicates that it is associated with abnormal structural and functional connections in the fronto-temporal region. However, a holistic understanding of the anatomical topology underlying amusia is still lacking. Here, we used probabilistic diffusion tensor imaging tractography and graph theory to examine whole brain white matter structural connectivity in 31 Mandarin-speaking amusics and 24 age- and IQ-matched controls. Amusics showed significantly reduced global connectivity, as indicated by the abnormally decreased clustering coefficient (Cp) and increased normalized shortest path length (λ) compared to the controls. Moreover, amusics exhibited enhanced nodal strength in the right inferior parietal lobule relative to controls. The co-existence of the lexical tone deficits was associated with even more deteriorated global network efficiency in amusics, as suggested by the significant correlation between the increments in normalized shortest path length (λ) and the insensitivity in lexical tone perception. Our study is the first to reveal reduced global connectivity efficiency in amusics as well as an increase in the global connectivity cost due to the co-existed lexical tone deficits. Taken together these results provide a holistic perspective on the anatomical substrates underlying congenital amusia.

Abnormal topological organization of the white matter network in Mandarin speakers with congenital amusia.

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While hemolysis in patients with sepsis is associated with increased mortality its mechanisms are unknown and Toll-like receptor (TLR)-4 mediated effects, complement-mediated hemolysis, or direct cell membrane effects are all conceivable mechanisms. In this study, we tested the hypotheses that toxic lipopolysaccharide (LPS) as well as non-toxic RS-LPS evokes hemolysis (1) by direct membrane effects, and (2) independent of the complement system and TLR-4 activation. We found, that incubation with LPS resulted in a marked time and concentration dependent increase of free hemoglobin concentration and LDH activity in whole blood and washed red cells. Red cell integrity was diminished as shown by decreased osmotic resistance, formation of schistocytes and rolls, and a decrease in red cell membrane stiffness. Non-toxic RS-LPS inhibited the LPS-evoked increase in TNF-α concentration demonstrating its TLR-4 antagonism, but augmented LPS-induced increase in supernatant hemoglobin concentration and membrane disturbances. Removal of plasma components in washed red cell assays failed to attenuate hemolysis. In summary, this study demonstrates direct physicochemical interactions of LPS with red cell membranes resulting in hemolysis under in vitro conditions. It might thus be hypothesized, that not all effects of LPS are mediated by TLR and may explain LPS toxicity in cells missing TLR.

Lipopolysaccharide-induced hemolysis: Evidence for direct membrane interactions.

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Analyzing the structure of neuronal fibers with single axon resolution in large volumes is a challenge in connectomics. Different technologies try to address this goal; however, they are limited either by the ineffective labeling of the fibers or in the achievable resolution. The possibility of discriminating between different adjacent myelinated axons gives the opportunity of providing more information about the fiber composition and architecture within a specific area. Here, we propose MAGIC (Myelin Autofluorescence imaging by Glycerol Induced Contrast enhancement), a tissue preparation method to perform label-free fluorescence imaging of myelinated fibers that is user friendly and easy to handle. We exploit the high axial and radial resolution of two-photon fluorescence microscopy (TPFM) optical sectioning to decipher the mixture of various fiber orientations within the sample of interest. We demonstrate its broad applicability by performing mesoscopic reconstruction at a sub-micron resolution of mouse, rat, monkey, and human brain samples and by quantifying the different fiber organization in control and Reeler mouse's hippocampal sections. Our study provides a novel method for 3D label-free imaging of nerve fibers in fixed samples at high resolution, below micrometer level, that overcomes the limitation related to the myelinated axons exogenous labeling, improving the possibility of analyzing brain connectivity.

Autofluorescence enhancement for label-free imaging of myelinated fibers in mammalian brains.

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A polarization-dependent all-fiber comb filter based on a combination effect of multimode interference and Mach-Zehnder interferometer was proposed and demonstrated. The comb filter was composed with a short section of multimode fiber (MMF) fusion spliced with a conventional single mode fiber on the one side and a short section of a different type of optical fiber on the other side. The second type of optical fiber is spliced to the MMF with a properly designed misalignment. Different types and lengths of fibers were used to investigate the influence of fiber types and lengths on the performance of the comb filter. Experimentally, several comb filters with free spectral range (FSR) values ranging from 0.236 to 1.524 nm were achieved. The extinction ratio of the comb filter can be adjusted from 6 to 11.1 dB by varying polarization states of the input light, while maintaining the FSR unchanged. The proposed comb filter has the potential to be used in optical dense wavelength division multiplexing communication systems.

A simple all-fiber comb filter based on the combined effect of multimode interference and Mach-Zehnder interferometer.

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Antibodies are large, extremely flexible molecules, whose internal dynamics is certainly key to their astounding ability to bind antigens of all sizes, from small hormones to giant viruses. In this paper, we build a shape-based coarse-grained model of IgG molecules and show that it can be used to generate 3D conformations in agreement with single-molecule Cryo-Electron Tomography data. Furthermore, we elaborate a theoretical model that can be solved exactly to compute the binding rate constant of a small antigen to an IgG in a prescribed 3D conformation. Our model shows that the antigen binding process is tightly related to the internal dynamics of the IgG. Our findings pave the way for further investigation of the subtle connection between the dynamics and the function of large, flexible multi-valent molecular machines.

Conformation-controlled binding kinetics of antibodies.

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3D imaging approaches based on X-ray microcomputed tomography (microCT) have become increasingly accessible with advancements in methods, instruments and expertise. The synergy of material and life sciences has impacted biomedical research by proposing new tools for investigation. However, data sharing remains challenging as microCT files are usually in the range of gigabytes and require specific and expensive software for rendering and interpretation. Here, we provide an advanced method for visualisation and interpretation of microCT data with small file formats, readable on all operating systems, using freely available Portable Document Format (PDF) software. Our method is based on the conversion of volumetric data into interactive 3D PDF, allowing rotation, movement, magnification and setting modifications of objects, thus providing an intuitive approach to analyse structures in a 3D context. We describe the complete pipeline from data acquisition, data processing and compression, to 3D PDF formatting on an example of craniofacial anatomical morphology in the mouse embryo. Our procedure is widely applicable in biological research and can be used as a framework to analyse volumetric data from any research field relying on 3D rendering and CT-biomedical imaging.

An interactive and intuitive visualisation method for X-ray computed tomography data of biological samples in 3D Portable Document Format.

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Dynamic traffic of multicast communication in the Software Defined Network environment focused less though it is more natural and practical. In multicast communication, the traffic is dynamic due to the dynamic group memberships (i.e., participants join and leave the group anytime), which are not explored much in the previous research works. The multicast in dynamic traffic requires a method to handle dynamic group membership and minimum tree alteration for every join and leave of participants from the multicast group. This paper proposes a multicast tree construction algorithm, which considers receiving devices and network capability as base parameters to construct the multicast path. The proposed routing method uses Dijkstra's Shortest Path algorithm for initial tree formation, identifies a multicast path, and processes the Shortest Path Tree to reduce the overall hop count and path cost. The multicast tree generated by the proposed enables the dynamic join and leaves of participating devices with reduced tree alteration using more common paths to reach the devices. The implementation and results show that the proposed method works efficiently in resource utilization with a reduced hop count and quality for multicast communication in static and dynamic scenarios. Also, the results demonstrate that the proposed method generates a stable common path for multicast communication.

Multicast tree construction algorithm for dynamic traffic on software defined networks.

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Myocilin (MYOC) is the gene with mutations most common in glaucoma. In the eye, MYOC is in trabecular meshwork, ciliary body, and retina. Other tissues with high MYOC transcript levels are skeletal muscle and heart. To date, the function of wild-type MYOC remains unknown and how mutant MYOC causes high intraocular pressure and glaucoma is ambiguous. By investigating mutant MYOC in a non-ocular tissue we hoped to obtain novel insight into mutant MYOC pathology. For this study, we utilized a transgenic mouse expressing human mutant MYOC Y437H protein and we examined its skeletal (gastrocnemius) muscle phenotype. Electron micrographs showed that sarcomeres in the skeletal muscle of mutant CMV-MYOC-Y437H mice had multiple M-bands. Western blots of soluble muscle lysates from transgenics indicated a decrease in two M-band proteins, myomesin 1 (MYOM1) and muscle creatine kinase (CKM). Immunoprecipitation identified CKM as a MYOC binding partner. Our results suggest that binding of mutant MYOC to CKM is changing sarcomere ultrastructure and this may adversely impact muscle function. We speculate that a person carrying the mutant MYOC mutation will likely have a glaucoma phenotype and may also have undiagnosed muscle ailments or vice versa, both of which will have to be monitored and treated.

Mutant myocilin impacts sarcomere ultrastructure in mouse gastrocnemius muscle.

PloS one

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Plasmodium falciparum parasites have evolved genetic adaptations to overcome immune responses mounted by diverse Anopheles vectors hindering malaria control efforts. Plasmodium falciparum surface protein Pfs47 is critical in the parasite's survival by manipulating the vector's immune system hence a promising target for blocking transmission in the mosquito. This study aimed to examine the genetic diversity, haplotype distribution, and population structure of Pfs47 and its implications on malaria infections in endemic lowlands in Western Kenya. Cross-sectional mass blood screening was conducted in malaria endemic regions in the lowlands of Western Kenya: Homa Bay, Kombewa, and Chulaimbo. Dried blood spots and slide smears were simultaneously collected in 2018 and 2019. DNA was extracted using Chelex method from microscopic Plasmodium falciparum positive samples and used to genotype Pfs47 using polymerase chain reaction (PCR) and DNA sequencing. Thirteen observed haplotypes of the Pfs47 gene were circulating in Western Kenya. Population-wise, haplotype diversity ranged from 0.69 to 0.77 and the nucleotide diversity 0.10 to 0.12 across all sites. All the study sites displayed negative Tajima's D values although not significant. However, the negative and significant Fu's Fs statistical values were observed across all the study sites, suggesting population expansion or positive selection. Overall genetic differentiation index was not significant (FST = -0.00891, P > 0.05) among parasite populations. All Nm values revealed a considerable gene flow in these populations. These results could have important implications for the persistence of high levels of malaria transmission and should be considered when designing potential targeted control interventions.

Genetic diversity and population structure of the human malaria parasite Plasmodium falciparum surface protein Pfs47 in isolates from the lowlands in Western Kenya.

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The comprehensive screening of intracellular and extracellular microRNAs was performed to identify novel tumor suppressors. We found that miR-8073 was present in exosome and predominantly exported from colorectal cancer cells. Treatment with a synthetic miR-8073 mimic resulted in a dramatic decrease in the proliferation of various types of cancer cells, which was not observed in similarly treated normal cells. As little is known about the biological functions of miR-8073, its target mRNAs were analyzed by both mRNA expression and in silico sequence analyses, leading to five probable target candidates (FOXM1, MBD3, CCND1, KLK10, and CASP2) that enhance survival during the regulation of the cell cycle, cell proliferation, and apoptosis. We experimentally confirmed that miR-8073 binds the 3'-UTR of each of these mRNA target candidates and that the introduction of a synthetic miR-8073 mimic into cancer cells reduced levels of protein expression. Finally, the antiproliferative effects of miR-8073 were validated in vivo: the subcutaneous injection of a synthetic miR-8073 mimic suppressed colorectal tumor volume to 43% in tumor-bearing xenografted mice. These results suggest that because miR-8073 binds, and thus reduces the levels of, these oncogenic targets, cancer cells must actively downregulate miR-8073 as a survival mechanism. The introduction of miR-8073 into tumors could thus inhibit tumor growth, indicating its great potential for cancer therapeutics.

MicroRNA-8073: Tumor suppressor and potential therapeutic treatment.

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Nucleosome organization affects the accessibility of cis-elements to trans-acting factors. Micrococcal nuclease digestion followed by high-throughput sequencing (MNase-seq) is the most popular technology used to profile nucleosome organization on a genome-wide scale. Evaluating the data quality of MNase-seq data remains challenging, especially in mammalian. There is a strong need for a convenient and comprehensive approach to obtain dedicated quality control (QC) for MNase-seq data analysis. Here we developed CAM, which is a comprehensive QC pipeline for MNase-seq data. The CAM pipeline provides multiple informative QC measurements and nucleosome organization profiles on different potentially functional regions for given MNase-seq data. CAM also includes 268 historical MNase-seq datasets from human and mouse as a reference atlas for unbiased assessment. CAM is freely available at: http://www.tongji.edu.cn/~zhanglab/CAM.

CAM: A quality control pipeline for MNase-seq data.

PloS one

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Emollients are a mainstay of treatment in atopic dermatitis (AD), a disease distinguished by skin bacterial dysbiosis. However, changes in skin microbiota when emollients are used as a potential AD preventative measure in infants remain incompletely characterized. We compared skin barrier parameters, AD development, and bacterial 16S ribosomal RNA gene sequences of cheek, dorsal and volar forearm samples from 6-month-old infants with a family history of atopy randomized to receive emollients (n = 11) or no emollients (controls, n = 12). The emollient group had a lower skin pH than the control group. The number of bacterial taxa in the emollient group was higher than in the control group at all sites. The Streptococcus salivarius proportion was higher in the emollient versus control groups at all sites. S. salivarius proportion appeared higher in infants without AD compared to infants with AD. A decrease in S. salivarius abundance was further identified in a separate larger population of older children demonstrating an inverse correlation between AD severity at sampling sites and S. salivarius proportions. The decreased skin pH and the increased proportion of S. salivarius after long-term emollient use in infants at risk for developing AD may contribute to the preventative effects of emollients in high-risk infants.

Emollient use alters skin barrier and microbes in infants at risk for developing atopic dermatitis.

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Neural networks are widely used in automatic credit scoring systems with high accuracy and outstanding efficiency. However, in the absence of prior knowledge, it is difficult to determine the set of hyper-parameters, which makes its application limited in practice. This paper presents a novel framework of credit-scoring model based on neural networks trained by the optimal swarm intelligence (SI) algorithm. This framework incorporates three procedures. Step 1, pre-processing, including imputation, normalization, and re-ordering of the samples. Step 2, training, where SI algorithms optimize hyper-parameters of back-propagation artificial neural networks (BP-ANN) with the area under curve (AUC) as the evaluation function. Step 3, test, applying the optimized model in Step 2 to predict new samples. The results show that the framework proposed in this paper searches the hyper-parameter space efficiently and finds the optimal set of hyper parameters with appropriate time complexity, which enhances the fitting and generalization ability of BP-ANN. Compared with existing credit-scoring models, the model in this paper predicts with a higher accuracy. Additionally, the model enjoys a greater robustness, for the difference of performance between training and testing phases.

Optimizing hyper-parameters of neural networks with swarm intelligence: A novel framework for credit scoring.

PloS one

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Adjuvant chemotherapy for colorectal cancer is mainly based on the combination of 5-fluorouracil, folinic acid and oxaliplatin (FOLFOX-4). The pharmacological target of oxaliplatin remains intracellular and therefore dependent on its entry into cells. The intracellular distribution of oxaliplatin is mediated by organic cation transporters 1, 2 and 3 (OCT1, 2 and 3), copper transporter 1 (CTR1) and ATPase Cu2+ transporting beta polypeptide (ATP7B) and may modulate the efficacy of oxaliplatin-based chemotherapy. The aim of this study was to perform a retrospective study to assess the relation between the expression of oxaliplatin transporters in colorectal cancer before chemotherapy and the response to FOLFOX-4 adjuvant chemotherapy in responder and non-responder patients. This retrospective study was conducted at a single center (University Hospital of Clermont-Ferrand, France). The target population was patients with resectable colorectal cancer operated between 2006 and 2013. Inclusion criteria were defined for the responder patients as no cancer recurrence 3 years after the end of chemotherapy, and for the non-responder patients as cancer recurrence within 1 year. Other inclusion criteria were stages IIb-IV cancers, first-line adjuvant FOLFOX-4 chemotherapy, and the availability of resected primary tumor samples. Exclusion criteria were preoperative chemotherapy and/or radiotherapy, a targeted therapy, other anticancer drugs, cancer recurrence between the first and the third year after the end of chemotherapy and follow-up < 3 years. Immunostaining of oxaliplatin transporters (OCT1, 2, 3, CTR1 and ATP7B) and Ki-67 was assessed in tumor samples. Retrospectively, 31 patients have been selected according to inclusion and exclusion criteria (15 responders and 16 non-responders). Before FOLFOX-4 regimen, OCT3 expression was significantly lower in responder patients compared to non-responders (p<0.001). According to multivariate analysis, OCT3 remains an independent criterion for adjuvant FOLFOX chemotherapy response (p = 0.039). No significant relation is reported between chemotherapy response and the expression of OCT1 (p = 0.49), OCT2 (p = 0.09), CTR1 (p = 0.45), ATP7B (p = 0.94) and Ki-67 (p = 0.34) in tumors. High expression of OCT3 could be an independent factor related to resistance to FOLFOX-4 chemotherapy.

Assessment of the Relation between the Expression of Oxaliplatin Transporters in Colorectal Cancer and Response to FOLFOX-4 Adjuvant Chemotherapy: A Case Control Study.

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The applicability of the internationally advocated cut-off points of waist circumference (WC) derived from Caucasians to diagnose metabolic syndrome (MS) in HIV-infected Africans is unknown. This study aimed to determine the optimal WC cutoffs for MS diagnosis in HIV-infected people receiving care at public healthcare facilities in the Western Cape Province in South Africa. Data from 748 randomly selected participants (591 women), with a median age of 38 years, were analysed. The Youden's index and the top-left-point approaches were used to determine the optimal cutoffs of WC for predicting ≥2 non-adipose MS components. The two approaches generated the same WC cut-off point in women, 92 cm (sensitivity 64%, specificity 64%) but different cut-off points in men: 87 cm (sensitivity 48%, specificity 85%) based on the Younden's index and 83 cm (sensitivity 59%, specificity 74%) by the top-left-point method. The advocated thresholds of 94 cm in men had low sensitivity (30%) but high specificity (92%) whereas 80 cm in women showed low specificity (32%) but high sensitivity (85%) for diagnosing MS in this sample. Most African-specific cut-off points performed well, with 90 cm providing acceptable performance in both men (sensitivity 43%, specificity 88%) and women (sensitivity 66%, specificity 59%). This study underlines the sub-optimal performance of internationally recommended WC thresholds for MS diagnosis in HIV-infected Africans, and supports the need to revisit the guidelines on WC criterion in African population across the board. A single threshold of 90 cm for both genders would be a practical suggestion.

Optimal waist circumference threshold for diagnosing metabolic syndrome in African people living with HIV infection.

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Cordycepin is an efficient component of Cordyceps spp, a traditional Chinese medicine widely used for healthcare in China, and has been recently acted as a strong anticancer agent for clinic. However, whether and how it may play a role in combating tuberculosis, caused by Mycobacterium tuberculosis, remains unknown. Here we report that cordycepin can kill Mycobacterium by hijacking the bacterial adenosine kinase (AdoK), a purine salvage enzyme responsible for the phosphorylation of adenosine (Ado) to adenosine monophosphate (AMP). We show that cordycepin is a poor AdoK substrate but it competitively inhibits the catalytic activity of AdoK for adenosine phosphorylation. Cordycepin does not affect the activity of the human adenosine kinase (hAdoK), whereas hAdoK phosphorylates cordycepin to produce a new monophosphate derivative. Co-use of cordycepin and deoxycoformycin, an inhibitor of adenosine deaminase (ADD), more efficiently kills M. bovis and M. tuberculosis. The add-deleted mycobacterium is more sensitive to cordycepin. This study characterized cordycepin as a new mycobactericidal compound and also uncovered a potential anti-mycobacterial mechanism.

Cordycepin kills Mycobacterium tuberculosis through hijacking the bacterial adenosine kinase.

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multi

High-risk neuroblastoma (NB) remains a major therapeutic challenge despite the recent advent of disialoganglioside (GD2)-antibody treatment combined with interleukin (IL)-2 and granulocyte monocyte-colony stimulating factor (GM-CSF). Indeed, more than one third of the patients still die from this disease. Here, we developed a novel approach to improve the current anti-GD2 immunotherapy based on NK cell stimulation using toll-like receptor (TLR)-activated plasmacytoid dendritic cells (pDCs). We demonstrated that this strategy led to the efficient killing of NB cells. When the expression of GD2 was heterogeneous on NB cells, the combination of pDC-mediated NK-cell activation and anti-GD2 treatment significantly increased the cytotoxicity of NK cells against NB cells. Activation by pDCs led to a unique NK-cell phenotype characterized by increased surface expression of tumor necrosis factor-related apoptosis-inducing ligand (TRAIL), with increased expression of CD69 on CD56dim cytotoxic cells, and strong interferon-γ production. Additionally, NB-cell killing was mediated by the TRAIL death-receptor pathway, as well as by the release of cytolytic granules via the DNAX accessory molecule 1 pathway. NK-cell activation and lytic activity against NB was independent of cell contact, depended upon type I IFN produced by TLR-9-activated pDCs, but was not reproduced by IFN-α stimulation alone. Collectively, these results highlighted the therapeutic potential of activated pDCs for patients with high-risk NB.

Efficient Killing of High Risk Neuroblastoma Using Natural Killer Cells Activated by Plasmacytoid Dendritic Cells.

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multi

Numerous studies highlight the importance of phytotherapy for indigenous and non-indigenous people in different parts of the world. In this work we analyze the richness (number of species), diversity (plant identity and the number of illnesses for which it is used) and similarity of plant species and illnesses treated with them, in order to contribute new data and insight into the importance of plant medicines to the local medical systems of people living in Misiones province, in the subtropics of Argentina. Three sympatric groups were compared: Guarani Indians, Criollos (mestizos) and Polish migrants. Quantitative scrutiny was focused on both primary and secondary sources. The similarity and diversity of medicinal plants and uses between groups was calculated by applying the Sørensen quantitative coefficient and the Shannon-Wiener index, respectively. In order to identify the characteristic plant species used by each group, the Cultural Importance and Prevalence Value (CIPV) was calculated based on the species Indicator Value (IndVal), which combines a species relative abundance with its relative frequency of occurrence in the various groups, and modified according to the type of the analyzed data. The important finding is a great variation in the number of species used by the study groups. Altogether, 509 botanical species were registered: Guarani (397), Criollos (243) and Polish migrants (137). For all groups, the use of native medicinal plants prevailed. The Guarani appear to be the local experts in use of medicinal plants. There is the significant difference in the number of treated illnesses by each taxon among three groups. Criollos and Polish migrants exhibit the greatest similarity in illnesses treated with medicinal plants. These groups share a corpus of knowledge related to illness nosology, and have a symptomatic approach to illness treatment. The Guarani have an etiological approach to illness diagnosis and healing, which may be viewed as a barrier to the exchange of knowledge about home medicine with other ethnic groups of Misiones.

Medicinal Plant Diversity and Inter-Cultural Interactions between Indigenous Guarani, Criollos and Polish Migrants in the Subtropics of Argentina.

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multi

In cooperation with the Sports Association of the Palatinate (SBP), a survey was conducted on substance use by recreational and amateur athletes. Distribution of the online questionnaire took place by means of chain-referral sampling, and questions on substance use were presented using the randomized response technique (RRT) to protect the anonymity of respondents and prevent socially desirable answers. The estimated lowest limit for the population share for use of prohibited substances during the last season (4%) and for lifetime use (3.6%) did not differ significantly. Approximately 21% of respondents had used substances for training or competitions that were taken for a purpose other than performance enhancement (e.g., to improve their mood or to help with recuperation from a minor injury or illness) in the last year. 49% had done so at some point in their life.

Sport-Induced Substance Use-An Empirical Study to the Extent within a German Sports Association.

PloS one

multi

Non-native species are a major driver of environmental change. In this study we assessed the ecological impact of the "worst" non-native species and the associated scientific and media publications through time to understand what influences interest in these species. Ecological effect was based on a qualitative assessment reported in research publications and additional searches of the scientific and media attention were conducted to determine published articles and assess attention. We did not detect a relationship between the number of publications for a non-native species and the magnitude of the ecological effects of that species or the number of citations. Media coverage on non-native species was low, only evident for less than 50% of the non-native species assessed. Media coverage was initially related to the number of scientific publications, but was short-lived. In contrast, the attention to individual non-native species in the scientific literature was sustained through time and often continued to increase over time. Time between detection of the non-native species and the scientific/media attention were reduced with each successive introduction to a new geographic location. Tracking publications on non-native species indicated that media attention does seem to be associated with the production of scientific research while scientific attention was not related to the magnitude of the ecological effects.

Are the ecological effects of the "worst" marine invasive species linked with scientific and media attention?

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multi

Addictions are not restricted to substance-use disorders, and it is now widely recognized that they also include behavioral addictions. Certain individuals with eating disorders also experiment their disorder as an addiction. The objective was to identify typologies of patients presenting with various behavioral addictions or eating disorders according to their evolution within the framework of care, and to specify the factors associated with the differential clinical trajectories. We included 302 patients presenting with problem gambling, sexual addiction, compulsive buying, excessive videogame use or eating disorders. The patients completed a multiaxial assessment through a face-to-face structured interview and self-administered questionnaires, including sociodemographic and addiction-related characteristics, psychiatric and addictive comorbidities and several psychological characteristics. The assessment was performed at inclusion and then repeated after 6 and 12 months. The statistical analysis included a combination of growth mixture models and latent class analysis. We identified five classes of patients with different profiles related to their trajectories during a one-year period of specialized care: "complex patients", "patients with impulsive psychological functioning", "patients with cooperative psychological functioning", "patients with immature psychological functioning," and "patients with resilient psychological functioning". The typology obtained brings interesting findings to propose patient-centered care strategies adapted to these disorders. Because the typology was independent from the type of disorder, it supports the general concept of behavioral addictions, and the similarities between eating disorders and behavioral addictions. The relevance of this model should be further examined in future studies.

Typology of patients with behavioral addictions or eating disorders during a one-year period of care: Exploring similarities of trajectory using growth mixture modeling coupled with latent class analysis.

PloS one

multi

Over the long term, soil carbon (C) storage is partly determined by decomposition rate of carbon that is slow to decompose (i.e., recalcitrant C). According to thermodynamic theory, decomposition rates of recalcitrant C might differ from those of non-recalcitrant C in their sensitivities to global warming. We decomposed leaf litter in a warming experiment in Alaskan boreal forest, and measured mass loss of recalcitrant C (lignin) vs. non-recalcitrant C (cellulose, hemicellulose, and sugars) throughout 16 months. We found that these C fractions responded differently to warming. Specifically, after one year of decomposition, the ratio of recalcitrant C to non-recalcitrant C remaining in litter declined in the warmed plots compared to control. Consistent with this pattern, potential activities of enzymes targeting recalcitrant C increased with warming, relative to those targeting non-recalcitrant C. Even so, mass loss of individual C fractions showed that non-recalcitrant C is preferentially decomposed under control conditions whereas recalcitrant C losses remain unchanged between control and warmed plots. Moreover, overall mass loss was greater under control conditions. Our results imply that direct warming effects, as well as indirect warming effects (e.g. drying), may serve to maintain decomposition rates of recalcitrant C compared to non-recalcitrant C despite negative effects on overall decomposition.

Decomposition of recalcitrant carbon under experimental warming in boreal forest.

PloS one

multi

Whole genome sequencing represents a promising new technology for subtyping of bacterial pathogens. Besides the technological advances which have pushed the approach forward, the last years have been marked by considerable evolution of the whole genome sequencing data analysis methods. Prior to application of the technology as a routine epidemiological typing tool, however, reliable and efficient data analysis strategies need to be identified among the wide variety of the emerged methodologies. In this work, we have compared three existing SNP-based subtyping workflows using a benchmark dataset of 32 Salmonella enterica subsp. enterica serovar Typhimurium and serovar 1,4,[5],12:i:- isolates including five isolates from a confirmed outbreak and three isolates obtained from the same patient at different time points. The analysis was carried out using the original (high-coverage) and a down-sampled (low-coverage) datasets and two different reference genomes. All three tested workflows, namely CSI Phylogeny-based workflow, CFSAN-based workflow and PHEnix-based workflow, were able to correctly group the confirmed outbreak isolates and isolates from the same patient with all combinations of reference genomes and datasets. However, the workflows differed strongly with respect to the SNP distances between isolates and sensitivity towards sequencing coverage, which could be linked to the specific data analysis strategies used therein. To demonstrate the effect of particular data analysis steps, several modifications of the existing workflows were also tested. This allowed us to propose data analysis schemes most suitable for routine SNP-based subtyping applied to S. Typhimurium and S. 1,4,[5],12:i:-. Results presented in this study illustrate the importance of using correct data analysis strategies and to define benchmark and fine-tune parameters applied within routine data analysis pipelines to obtain optimal results.

Comparison of SNP-based subtyping workflows for bacterial isolates using WGS data, applied to Salmonella enterica serotype Typhimurium and serotype 1,4,[5],12:i:.

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There is mounting evidence that North Americans are better able to remember faces of targets who belong to the same social group, and this is true even when the social groups are experimentally created. Yet, how Western cultural contexts afford the development of this own group face recognition bias remains unknown. This question is particularly important given that recent findings suggest that first-generation East Asian Canadians do not show this bias. In the current research, we examined the own-group bias among first- and second-generation East Asian Canadians, who vary systematically in their exposure to and engagement in a Western cultural context, and tested mediators that could explain any difference. In Study 1, second-generation East Asian Canadians showed better memory for same-group (vs. other-group) faces. In Studies 2 and 3, as well as a meta-analysis of all three studies, we found some additional evidence that second-generation East Asian Canadians show better memory for same-group (vs. other-group) faces, whereas first-generation East Asian Canadians do not, but only when each cultural group was examined separately in each study, as no interaction with generational status emerged. In Study 2, and in a higher powered pre-registered Study 3, we also examined whether second- (vs. first-) generational status had a positive indirect effect on same-group face recognition through the effects of acculturation and perceived relational mobility in the immediate social environment, however this mediation model was not supported by the data. Overall, the results provide some additional evidence that the effect of mere social categorization on face recognition may not be as consistently found among East Asian participants.

How robust is the own-group face recognition bias? Evidence from first- and second-generation East Asian Canadians.

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multi

To evaluate feasibility of self-assessment of medical abortion outcome using a low-sensitivity urine pregnancy test, checklist and text messages. The study assessed whether accurate self-assessment required a demonstration of the low-sensitivity urine pregnancy test or if verbal instructions suffice. This non-inferiority trial enrolled 525 adult women from six public sector abortion clinics. Eligible women were undergoing medical abortion at gestations within 63 days. Consenting women completed a baseline interview, received standard care with mifepristone and home-administration of misoprostol. All were given a low-sensitivity urine pregnancy test and checklist for use 14 days later, sent text reminders, and asked to attend in-clinic follow-up after two weeks. Women were randomly assigned 1:1 to an instruction-only group (n = 262; issued with pre-scripted instructions on the low-sensitivity pregnancy test), or a demonstration group (n = 263; performed practice tests guided by lay health workers). The primary outcome was accurate self-assessment of incomplete abortion, defined as needing additional misoprostol or vacuum aspiration. Analysis was by intention to treat and a non-inferiority margin was set to six percentage points. Women's acceptability of their abortion procedure and preferences for follow-up were also assessed. Follow-up was 81% for abortion outcome, confirmed in-clinic at two weeks or self-reported within six months. Non-inferiority of instruction-only to a demonstration was inconclusive for accurate self-assessment (risk difference for instruction-only -demonstration: -2.5%; 95%CI: -9% to 4%). Comparing instruction-only to demonstration groups, 99% and 100% found the pregnancy test easy to do; and 91% and 93% respectively chose the pregnancy test, checklist and text messages for abortion outcome assessment in the future. Routine self-assessment using a low-sensitivity pregnancy test, checklist and text messages is feasible and preferred by women attending South African primary care abortion clinics. Counselling with additional emphasis on prompt recognition of ongoing pregnancies is recommended. ClinicalTrials.gov NCT02231619.

Is self-assessment of medical abortion using a low-sensitivity pregnancy test combined with a checklist and phone text messages feasible in South African primary healthcare settings? A randomized trial.

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multi

The paradoxical frog Pseudis tocantins is the only species in the Hylidae family with known heteromorphic Z and W sex chromosomes. The Z chromosome is metacentric and presents an interstitial nucleolar organizer region (NOR) on the long arm that is adjacent to a pericentromeric heterochromatic band. In contrast, the submetacentric W chromosome carries a pericentromeric NOR on the long arm, which is adjacent to a clearly evident heterochromatic band that is larger than the band found on the Z chromosome and justify the size difference observed between these chromosomes. Here, we provide evidence that the non-centromeric heterochromatic bands in Zq and Wq differ not only in size and location but also in composition, based on comparative genomic hybridization (CGH) and an analysis of the anuran PcP190 satellite DNA. The finding of PcP190 sequences in P. tocantins extends the presence of this satellite DNA, which was previously detected among Leptodactylidae and Hylodidae, suggesting that this family of repetitive DNA is even older than it was formerly considered. Seven groups of PcP190 sequences were recognized in the genome of P. tocantins. PcP190 probes mapped to the heterochromatic band in Wq, and a Southern blot analysis indicated the accumulation of PcP190 in the female genome of P. tocantins, which suggests the involvement of this satellite DNA in the evolution of the sex chromosomes of this species.

Unraveling the Sex Chromosome Heteromorphism of the Paradoxical Frog Pseudis tocantins.

PloS one

multi

Biological nitrogen fixation can contribute to maintaining the nitrogen balance and reducing the risk of environmental pollution caused by nitrogen fertilizer application in flooded paddy soils. Microorganisms associated with microbial iron [Fe(III)] reduction are prevalent and presumed to be closely linked with biological nitrogen fixation in flooded paddy soils. The relationship between the nitrogen-fixing bacteria (NFB) and Fe(III)-reducing bacteria (FeRB) and their responses to organic carbon addition were investigated based on the metabolically active bacterial community in flooded paddy soils amended with/without glucose (CK: 0 mol C kg -1 soil; OC: 0.1 mol C kg -1 soil). Both putative NFBs and FeRBs were affiliated to the phyla Firmicutes and Proteobacteria, which were the two most abundant phyla in the metabolically active bacterial community. Glucose addition remarkably altered the community structures of the putative NFBs and FeRBs during a 40-day incubation, and the relative abundances of putative NFBs and FeRBs in the OC treatment increased by 0.21%-1.62% and 2.22%-14.82% relative to the CK treatment, respectively, during the later stage of incubation. The putative FeRBs co-occurred with NFBs and hydrogen-oxidizing bacteria, and the relative abundances of NFBs and hydrogen-oxidizing bacteria showed significant positive correlation with that of respiratory FeRBs. Some FeRBs could also be capable of nitrogen fixation and/or hydrogen oxidation. Thus, it might be feasible to enhance biological nitrogen fixation efficiency by promoting the metabolic activities of FeRBs (such as by adding glucose), which contribute directly to biological nitrogen fixation associated with nitrogen-fixing Fe(III) reducers and indirectly by reducing the suppression of hydrogen on nitrogen fixation associated with hydrogen-dependent Fe(III) reducers.

Coupling between nitrogen-fixing and iron(III)-reducing bacteria as revealed by the metabolically active bacterial community in flooded paddy soils amended with glucose.

The Science of the total environment

chemistry

Application of anaerobically digested sludges and manure (digestates) to agricultural fields reduces the need for fertilizer application, but might also pose environmental risks due to the introduction of various pollutants -including metal trace elements and pharmaceuticals- to amended soils. The simultaneous presence of different contaminants can affect plant uptake, altering the performance of phytoremediation. This work aims to investigate and compare the single and combined effects of Enrofloxacin (Enro) and Cu on their plant uptake from digestate solutions. Plant uptake experiments were carried out by exposing, for 5 days, Phragmites australis to three different concentrations of a liquid digestate doped with Cu and/or Enro. Contaminant concentrations were afterward determined in both plant tissues and digestate solutions. Contaminant speciation in solution and Cu speciation in plant roots were also assessed. Cu plant uptake (mostly in plant roots, Cu concentration varied between 55 and 254 μg·g -1 ) was observed, especially at low concentration of digestate. At high digestate concentration, Cu uptake decreased due to the formation of Cu-DOC complexes rendering Cu less bioavailable. The presence of the antibiotic slightly further reduced Cu plant uptake due to the formation of Cu-Enro complexes. Plant roots also accumulated Enro, an accumulation also higher for the lowest concentration of digestate (an increase of 40%), and that slightly increased in the presence of Cu (up to 226 μg·g -1 ). However, proportion of free Enro in solution decreased (up to 70%) in the presence of Cu due to complexation. Cu speciation in plant roots confirmed the implication of the complexation in the uptake of Cu and Enro when they are simultaneously present in solution. Thus, the presence of amendments (such as digestates) increasing the DOC content, in addition to the interactions between contaminants, should be taken into account for field crop soils as well as for phytoremediation technologies.

Enrofloxacin and copper plant uptake by Phragmites australis from a liquid digestate: Single versus combined application.

The Science of the total environment

chemistry

The present study proposes an advanced methodology to refine the source apportionment of organic aerosol (OA). This methodology is based on the combination of offline and online datasets in a single Positive Matrix Factorization (PMF) analysis using the multilinear engine (ME-2) algorithm and a customized time synchronization procedure. It has been applied to data from measurements conducted in the Paris region (France) during a PM pollution event in March 2015. Measurements included OA ACSM (Aerosol Chemical Speciation Monitor) mass spectra and specific primary and secondary organic molecular markers from PM 10 filters on their original time resolution (30 min for ACSM and 4 h for PM 10 filters). Comparison with the conventional PMF analysis of the ACSM OA dataset (PMF-ACSM) showed very good agreement for the discrimination between primary and secondary OA fractions with about 75% of the OA mass of secondary origin. Furthermore, the use of the combined datasets allowed the deconvolution of 3 primary OA (POA) factors and 7 secondary OA (SOA) factors. A clear identification of the source/origin of 54% of the total SOA mass could be achieved thanks to specific molecular markers. Specifically, 28% of that fraction was linked to combustion sources (biomass burning and traffic emissions). A clear identification of primary traffic OA was also obtained using the PMF-combined analysis while PMF-ACSM only gave a proxy for this OA source in the form of total hydrocarbon-like OA (HOA) mass concentrations. In addition, the primary biomass burning-related OA source was explained by two OA factors, BBOA and OPOA-like BBOA. This new approach has showed undeniable advantages over the conventional approaches by providing valuable insights into the processes involved in SOA formation and their sources. However, the origins of highly oxidized SOA could not be fully identified due to the lack of specific molecular markers for such aged SOA.

Speciation of organic fractions does matter for aerosol source apportionment. Part 3: Combining off-line and on-line measurements.

The Science of the total environment

chemistry

This paper examines drought characteristics as an evidence of climate change in two agro-climatic zones of Nigeria and farmers' climate change perceptions of impacts and adaptation strategies. The results show high spatial and temporal rainfall variability for the stations. Consequently, there are several anomalies in rainfall in recent years but much more in the locations around the Guinea savanna. The inter-station and seasonality statistics reveal less variable and wetter early growing seasons and late growing seasons in the Rainforest zone, and more variable and drier growing seasons in other stations. The probability (p) of dry spells exceeding 3, 5 and 10 consecutive days is very high with 0.62≤p≥0.8 in all the stations, though, the p-values for 10day spells drop below 0.6 in Ibadan and Osogbo. The results further show that rainfall is much more reliable from the month of May until July with the coefficient of variance for rainy days <0.30, but less reliable in the months of March, August and October (CV-RD>0.30), though CV-RD appears higher in the month of August for all the stations. It is apparent that farmers' perceptions of drought fundamentally mirror climatic patterns from historical weather data. The study concludes that the adaptation facilities and equipment, hybrids of crops and animals are to be provided to farmers, at a subsidized price by the government, for them to cope with the current condition of climate change.

Rainfall variability and drought characteristics in two agro-climatic zones: An assessment of climate change challenges in Africa.

The Science of the total environment

chemistry

Household air pollution exposure is a crucial public concern and have the potential to seriously affect human health. Using biomass fuels for cooking is the main contributor to household air pollution. However, current evidence linked between cooking with biomass fuels and mental health remains limited. To explore whether cooking with biomass fuels is associated with depression and anxiety symptoms among older adults in China. We obtained data from Chinese Longitudinal Healthy Longevity Survey (CLHLS). Depressive and anxiety symptoms were assessed using the 10-item Center for Epidemiologic Studies Depression Scale (CES-D-10) and the 7-item Generalized Anxiety Disorder Scale (GAD-7), respectively. Primary cooking fuel type was self-reported. We used logistic regression and linear regression to evaluate the effects of cooking with biomass fuels on depression and anxiety. A total of 13,361 participants aged 65 years and older (mean age, 84.2 ± 11.5 years) were included in the presented study. A positive association was found between cooking with biomass fuels and both depression symptoms (adjusted odds ratio 1.23, 95% CI 1.03 to 1.47) and anxiety symptoms (adjusted odds ratio 1.31, 95% CI 1.02 to 1.68). Biomass fuel users had a higher depression scores (0.33, 95% CI 0.03 to 0.61) and a higher anxiety scores (0.20, 95% CI 0.02 to 0.38) compared to clean fuel users. We found no significant interactions between participant characteristics and biomass fuel use on either depression or anxiety symptoms. Cooking with biomass fuels was associated with depression and anxiety symptoms in order adults. Further large prospective cohort studies are warranted to confirm this association.

Association of using biomass fuel for cooking with depression and anxiety symptoms in older Chinese adults.

The Science of the total environment

chemistry

Understanding the links between sources of magnetic particles and bioaccessibility of metal(loids) in environmental sampling media is crucial for better evaluating human health risks, although relevant information in the scientific literature is scarce. Here, soil, road and house dust samples from a heavy industrial area in Greece were characterized in a multidisciplinary study combining magnetic measurements, SEM/EDS analyses, bioaccessibility measurements and Pb isotopic analyses of bioaccessible Pb. The oral and inhalable bioaccessible fractions of As, Cd, Cr, Cu, Fe, Mn, Ni, Pb and Zn were assessed by applying simulated gastric and lung solutions. SEM/EDS analysis revealed the abundant presence of anthropogenic Fe-containing spherules of industrial origin in all sampling media, often containing minor contents of Cr, Cu, Mn, Pb and Zn. The inhalation bioaccessibility (%) in all environmental compartments was higher than the oral one for most elements analyzed in the present study. Clear associations between magnetic susceptibility and bioaccessible amounts of most of analyzed elements were encountered for the soil and road dust. The isotopic analyses of bioaccessible Pb showed that there are significant differences in the isotopic ratios between total and bioaccessible Pb. We conclude that Pb solubilized by the simulated gastric and lung extractions is principally anthropogenic, representing a mixture of industrial Pb and Pb related to the past usage of leaded petrol. Low values of 206 Pb/ 207 Pb were accompanied by high bioaccessible contents of Cd, Pb and Zn indicating that anthropogenic (mostly industrial) sources exert influence on the bioaccessible forms of these metals. Coupling magnetic and bioaccessibility measurements with stable isotopic technique of bioaccessible Pb is more reliable for determining Pb and other metal sources with high oral and inhalation bioaccessibility.

Tracing the sources of bioaccessible metal(loid)s in urban environments: A multidisciplinary approach.

The Science of the total environment

chemistry

Previous studies have reported the short-term effects of particulate air pollution on health. However, most of those studies were relatively short in duration, with only a few, in healthy adolescents. We investigated the short-term effects of particulate air pollution on pulmonary function in healthy adolescents over a long period. A panel study was repeatedly conducted twice a year for about one month each, in spring and fall from 2014 to 2016, in an isolated island in the Seto Inland Sea, Japan. Daily measurements of peak expiratory flow (PEF) and forced expiratory volume in 1 s (FEV 1 ) were performed in a total of 48 healthy college students aged 15-19 years. The ambient concentrations of particulate matter with diameter ≤2.5 μm (PM 2.5 ) and between 2.5 and 10 μm (PM 10-2.5 ), and black carbon (BC) were continuously measured. A mixed-effects model was used to investigate the relationships between air pollutants and pulmonary function. In the overall analyses of the six study periods, decreases in the PEF and FEV 1 were significantly associated with increases in the PM 2.5 and BC concentrations. The greatest decrease was found in FEV 1 (-1.97% [95% confidence interval (CI): -2.90, -1.04]), which was associated with an interquartile range (IQR) increase in the 0-72-h average concentrations of PM 2.5 (14.1 μg/m 3 ). Neither PEF nor FEV 1 were associated with PM 10-2.5 concentrations. In the analyses by season, both the PEF and FEV 1 values decreased significantly in relation to increases in the PM 2.5 , PM 10-2.5 and BC concentrations in the fall. However, in spring, both PEF and FEV 1 showed weak associations with each of the pollutants. In conclusion, relatively low increases in the ambient particulate matter levels were associated with reduced pulmonary function among healthy adolescents. This association was stronger in fall than in spring.

Stronger association between particulate air pollution and pulmonary function among healthy students in fall than in spring.

The Science of the total environment

chemistry

Coral reefs have been heavily impacted by anthropogenic stressors, such as global warming, ocean acidification, sedimentation, and nutrients. Recently, microplastics (MP) have emerged as another potential stressor that may also cause adverse impacts to coral. MP ingestion by scleractinian coral among four species, Acropora cervicornis, Montastraea cavernosa, Orbicella faveolata, and Pseudodiploria clivosa, was used to identify the relationship between calyx and MP size as it pertains to active coral ingestion. A range of MP sizes (0.231-2.60 mm) were offered to the coral species across a wide range of calyx sizes (1.33-4.84 mm). Laboratory data showed that as the mean calyx size increased, so too did the mean percent of ingestion with increasing MP size. From laboratory data, a logistic model was developed to extrapolate the range of MP sizes that can be actively ingested by coral species based on calyx size. The data and model presented here offer the first predictive approach that can be used to determine the range of MP sizes that have a high likelihood of being actively ingested by coral of various sizes, thus offering insight to possible impacts on scleractinian coral.

Microplastic ingestion by coral as a function of the interaction between calyx and microplastic size.

The Science of the total environment

chemistry

Arctic lakes emit methane (CH 4 ) to the atmosphere. The magnitude of this flux could increase with permafrost thaw but might also be mitigated by microbial CH 4 oxidation. Methane oxidation in oxic water has been extensively studied, while the contribution of anaerobic oxidation of methane (AOM) to CH 4 mitigation is not fully understood. We have investigated four Northern Siberian stratified lakes in an area of discontinuous permafrost nearby Igarka, Russia. Analyses of CH 4 concentrations in the water column demonstrated that 60 to 100% of upward diffusing CH 4 was oxidized in the anoxic layers of the four lakes. A combination of pmoA and mcrA gene qPCR and 16S rRNA gene metabarcoding showed that the same taxa, all within Methylomonadaceae and including the predominant genus Methylobacter as well as Crenothrix, could be the major methane-oxidizing bacteria (MOB) in the anoxic water of the four lakes. Correlation between Methylomonadaceae and OTUs within Methylotenera, Geothrix and Geobacter genera indicated that AOM might occur in an interaction between MOB, denitrifiers and iron-cycling partners. We conclude that MOB within Methylomonadaceae could have a crucial impact on CH 4 cycling in these Siberian Arctic lakes by mitigating the majority of produced CH 4 before it leaves the anoxic zone. This finding emphasizes the importance of AOM by Methylomonadaceae and extends our knowledge about CH 4 cycle in lakes, a crucial component of the global CH 4 cycle.

Anaerobic oxidation of methane and associated microbiome in anoxic water of Northwestern Siberian lakes.

The Science of the total environment

chemistry

This paper describes a methodology to perform chemical analyses in landfill areas by integrating multisource geomatic data. We used a top-down approach to identify Environmental Point of Interest (EPI) based on very high-resolution satellite data (Pleiades and WorldView 2) and on in situ thermal and photogrammetric surveys. Change detection techniques and geostatistical analysis supported the chemical survey, undertaken using an accumulation chamber and an RIIA, an unmanned ground vehicle developed by CNR IIA, equipped with a multiparameter sensor platform for environmental monitoring. Such an approach improves site characterization, identifying the key environmental points of interest where it is necessary to perform detailed chemical analyses.

Top-down approach from satellite to terrestrial rover application for environmental monitoring of landfills.

The Science of the total environment

chemistry

Phenological studies of Brazilian savanna vegetation have described a generalized phenological pattern for all species, mainly based on rainfall and temperature. Few studies have considered wind as an explanatory factor; abiotic factors may impact differently on phenophases, and one phenophase may influence the performance of another. Thus, we aim to describe the phenological patterns of five anemocoric plant species (Aspidosperma tomentosum, Dalbergia miscolobium, Kielmeyera coriacea, Peixotoa tomentosa and Qualea multiflora) in the face of different climatic conditions, mainly evaluating the effects of wind on the ripe diaspore. We addressed three main questions: (1) What is the phenological behavior of each of these five anemocoric species in a seasonal environment? (2) Which climatic variables best explain each phenophase? (3) Does the dispersal of ripe diaspores peak shortly after deciduousness? We found that (i) our focal species showed similar phenological patterns, except for the floral bud and flower phenophases of two species (A. tomentosum and P. tomentosa), and the young fruit phase; (ii) each abiotic variable has a specific level of influence for each phenophase, but the most important variables were rainfall and wind speed; and (iii) the dispersal peak of ripe diaspores occurred shortly after deciduousness, and when plants had fewer leaves. We conclude that the phenological patterns of these five anemocoric plants are similar, but that the patterns observed are not necessarily those described for Cerrado species. Additionally, we found that wind is an important factor in the expression of specific phenophases, and that the performance of some phenological events can be influenced by others, especially diaspore dispersal.

Environmental variables drive phenological events of anemocoric plants and enhance diaspore dispersal potential: A new wind-based approach.

The Science of the total environment

chemistry

Models to predict tree survival and mortality can help to understand vegetation dynamics and to predict effects of climate change on native forests. The objective of the present study was to use Artificial Neural Networks, based on the competition index and climatic and categorical variables, to predict tree survival and mortality in Semideciduous Seasonal Forests in the Atlantic Forest biome. Numerical and categorical trees variables, in permanent plots, were used. The Agricultural Reference Index for Drought (ARID) and the distance-dependent competition index were the variables used. The overall efficiency of classification by ANNs was higher than 92% and 93% in the training and test, respectively. The accuracy for classification and number of surviving trees was above 99% in the test and in training for all ANNs. The classification accuracy of the number of dead trees was low. The mortality accuracy rate (10.96% for training and 13.76% for the test) was higher with the ANN 4, which considers the climatic variable and the competition index. The individual tree-level model integrates dendrometric and meteorological variables, representing a new step for modeling tree survival in the Atlantic Forest biome.

Artificial neural networks: Modeling tree survival and mortality in the Atlantic Forest biome in Brazil.

The Science of the total environment

chemistry

Shooting activities is an important source of Pb in contaminated soils. Lead accumulates in superficial soil horizons because of its low mobility, favouring its uptake by plants and representing a high transference risk to the trophic chain. A combination of phytoremediation with nanoremediation techniques can be used to recover firing range soils and decrease the mobility, bioavailability and toxicity of Pb. This study examines in depth the changes in Pb behaviour in firing range soils by adding hydroxyapatite nanoparticles (HANPs). These nanoparticles (NPs) may immobilise Pb and improve the quality of these areas. The use of HANPs and the Pb effects were assessed in three different species (Sinapis alba L., Lactuca sativa L. and Festuca ovina L.), focusing on their germination and early growth, through phytotoxicity assays. Single extractions with CaCl 2 (0.01 M) in soils treated with HANPs show that these NPs retained Pb and reduced highly its availability and mobility. HR-TEM and TOF-SIMS were used to determine the interactions between HANPs and Pb, as well as with soil components. According to TOF-SIMS and HR-TEM/EDS analysis, Pb was mainly retained by HANPs but also associated lightly to organic matter, Fe compounds and silicates. Phytotoxicity assays exposed that S. alba, L. sativa and F. ovina were able to germinate and develop in the firing range soils despite the high available Pb contents before adding HANPs. After adding HANPs, Pb retention increased, favouring the germination and the growth of roots in the three species. These results suggest that HANPs can be used to decrease the availability and the toxicity of Pb without negative effects in the species growth. Accordingly, the combination of phytoremediation and nanoremediation techniques can be a great tool to stabilise these soils, avoiding the Pb transfer to nearby areas and its entry in the trophic chain.

Phytotoxicity assays with hydroxyapatite nanoparticles lead the way to recover firing range soils.

The Science of the total environment

chemistry

We conducted 35 experiments for spatial measurement of marijuana aerosols in a current smoker's residential spaces. Fine particulate matter (PM 2.5 ) concentrations were measured every second at 1, 2, and 3 m horizontal distances from the smoker who performed prescribed 5-min smoking and vaping activities. In each experiment, five SidePak monitors measured PM 2.5 concentrations at five different angles facing the front of the smoker, representing the worst-case exposures. We studied the effect of distance from the smoker for two marijuana sources - smoking a marijuana cigarette, or joint, and vaping a liquid-cartridge vaping pen. Experiments were conducted in the family room indoors and in the backyard outdoors where the smoker normally consumes marijuana. Indoor marijuana vaping had higher average exposures (5-min PM 2.5 ) at 1 m distance than indoor marijuana smoking, but the levels from indoor vaping decreased more rapidly with distance (e.g., 77% reduction for vaping versus 33% for smoking from 1 to 2 m). Smoking and vaping in the outdoor environment reduce the average exposures down to <5% of the indoor levels at each distance. Cumulative frequency distributions of the 1-s PM 2.5 concentrations revealed the frequencies of exceeding any selected transient peak exposure limit at a given distance. The frequency of exceedance decreased more quickly with distance for vaping than for smoking. Smoking and vaping outdoors made the transient peak exposures close to the source much less frequent than smoking and vaping indoors (e.g., <1% exceeded 1000 μg/m 3 outdoors versus >20% indoors at 1 m). Plotting the frequency of exceedance versus distance could offer additional guidance for a recommended minimum distance from a marijuana source.

PM2.5 exposure close to marijuana smoking and vaping: A case study in residential indoor and outdoor settings.

The Science of the total environment

chemistry

Summertime surface ozone (O 3 ) and related secondary formation of fine particles are the major air quality concerns in the megacity of Shanghai. We performed mobile Cavity Enhanced Differential Optical Absorption Spectroscopy (CE-DOAS) measurements to investigate the spatial distribution of on-road nitrogen dioxide (NO 2 ) concentrations along the Inner Ring Elevated Road (IRER) in Shanghai. The observations show a ratio of 4 between CE-DOAS averaged on-road NO 2 and the in-situ ambient measurements, illustrating the strong impact of vehicle emissions over the urban area. The air mass transport analysis suggests that the observed episodic ozone events arise from both the abundance of volatile organic compounds (VOCs) precursors in the sampled plume and the regional transport of ozone-rich air masses. Analysis of the sources of PM 2.5 shows that the secondary heterogeneous gas-to-particle conversion of sulfate and nitrate from sulfur dioxide (SO 2 ) and nitrogen oxides (NO x ) is the largest source of PM 2.5 contributing 44.8±9.2% of the total PM 2.5 . Ozone-related photochemical formation of fine particles is estimated to contribute about 22.5±11.9% of the total PM 2.5 , which is strongly facilitated by solar radiation in summer. According to our results, nitrous acid (HONO) is the major precursor of hydroxyl radicals (OH) accounting for 40% to 80% of the total OH production during daytime. A significant correlation is found between the HONO levels in the early morning and the daily O 3 and PM 2.5 levels. The summertime measurements indicate that the photolytic reaction of HONO after sunrise increased the abundance of daytime OH and oxidative capacity, resulting in an enhancement of ground level ozone and secondary organic aerosol formation. This study provides quantitative information to better understand photochemical formation of ozone and fine particles in Shanghai during summertime, which is useful for designing collaborative strategies to mitigate emissions of precursor pollutants.

On the summertime air quality and related photochemical processes in the megacity Shanghai, China.

The Science of the total environment

chemistry

Fire risk mapping - mapping the probability of fire occurrence and spread - is essential for pre-fire management as well as for efficient firefighting efforts. Most fire risk maps are generated using static information on variables such as topography, vegetation density, and fuel instantaneous wetness. Satellites are often used to provide such information. However, long-term vegetation dynamics and the cumulative dryness status of the woody vegetation, which may affect fire occurrence and spread, are rarely considered in fire risk mapping. Here, we investigate the impact of two satellite-derived metrics that represent long-term vegetation status and dynamics on fire risk mapping - the long-term mean normalized difference vegetation index (NDVI) of the woody vegetation (NDVI W ) and its trend (NDVI T ). NDVI W represents the mean woody density at the grid cell, while NDVI T is the 5-year trend of the woody NDVI representing the long-term dryness status of the vegetation. To produce these metrics, we decompose time-series of satellite-derived NDVI following a method adjusted for Mediterranean woodlands and forests. We tested whether these metrics improve fire risk mapping using three machine learning (ML) algorithms (Logistic Regression, Random Forest, and XGBoost). We chose the 2007 wildfires in Greece for the analysis. Our results indicate that XGBoost, which accounts for variable interactions and non-linear effects, was the ML model that produced the best results. NDVI W improved the model performance, while NDVI T was significant only when NDVI W was high. This NDVI W -NDVI T interaction means that the long-term dryness effect is meaningful only in places of dense woody vegetation. The proposed method can produce more accurate fire risk maps than conventional methods and can supply important dynamic information that may be used in fire behavior models.

Forecasting fire risk with machine learning and dynamic information derived from satellite vegetation index time-series.

The Science of the total environment

chemistry

Ozonation is widely used during water treatment but can generate a variety of toxic disinfection byproducts, especially in the presence of bromide. In the present study, our halogen extraction code was extended and modified to identify bromine isotopic patterns and combined with the R package MFAssignR in selectively identifying brominated disinfection byproducts (Br-DBPs) from high resolution mass spectra. In total, 127 Br-DBPs formed from a Suwannee River natural organic matter (SRNOM) solution were successfully detected from tens of thousands of mass spectrometry peaks. Kendrick mass defect analysis and structural characterization identified 17 structures, 15 of which were identified as brominated carboxylic acids and firstly reported here. Computational model predictions indicated that these brominated carboxylic acids may possess high toxic potencies and raise valid concerns. The adapted halogen extraction code described in this study is a powerful tool for a wider application of analyzing Br-DBPs in complex water matrices and provides an effective technique to characterize and identify these compounds in future studies.

Combining high resolution mass spectrometry with a halogen extraction code to characterize and identify brominated disinfection byproducts formed during ozonation.

The Science of the total environment

chemistry

Concentrations of 9 organophosphate esters (OPEs), 16 perfluoroalkylated substances (PFASs) and 17 polycyclic aromatic hydrocarbons (PAHs) were investigated in surface snow samples collected at Dome C on the Antarctic Plateau in summer 2016. Tris(1-chloro-2-propyl) phosphate (TCPP), tris-(2-chloroethyl) phosphate (TCEP) and tri-n-butylphosphate (TnBP) were the dominant compounds of OPEs, with mean concentrations of 8157 ± 4860, 1128 ± 928 and 1232 ± 1147 pg/L. Perfluorooctanoic acid (PFOA, mean: 358 ± 71 pg/L) was the dominant compound of PFASs, and following by perfluoro-n-hexanoic acid (PFHxA, mean: 222 ± 97 pg/L), perfluoro-n-heptanoic acid (PFHpA, 183 ± 60 pg/L) and perfluoro-n-pentanoic acid (PFPeA, 175 ± 105 pg/L). 2-(Heptafluoropropoxy)propanoic acid (HFPO-DA, mean: 9.2 ± 2.6 pg/L) was determined in the Antarctic for the first time. Significantly positive correlations were observed between HFPO-DA and the short-chain PFASs, implying they have similar emission sources and long-range transport potential. High levels of 2-methylnaphthalene and 1-methylnaphthalene, as well as the ratios of PAH congeners indicated PAHs were attributable mostly to combustion origin. Occurrence and profiles of the indicators of OPEs, PFASs and PAHs, as well as air mass back-trajectory analysis provided direct evidences of human activities on Concordia station and posed obvious impacts on local environments in the Antarctic. Nevertheless, the exchange processes among different environmental matrices may drive the long-range transport and redistribution of the legacy and emerging Organic contaminants from coast to inland in the Antarctic.

Occurrence of legacy and emerging organic contaminants in snow at Dome C in the Antarctic.

The Science of the total environment

chemistry

Particulate organic matter (POM) is a fraction of organic matter with dissimilar properties in different soils. POM isolated from soils and sediments (wetland, oil waste field, farmlands and aquaculture pond sediment) was used to study its sorption behavior on the antibiotic oxytetracycline (OTC). Impacts of solution pH, ionic strength and temperature on the OTC sorption were studied. The sorption rates of OTC in POM from wetland (POM-w) and farmland (POM-f1, POM-f2) were rapid during the first 3 h and gradually decreased with reaction time until reaching the equilibrium. Linear sorption occurred from 3 to 12 h in POM from oil waste field land (POM-o) and aquaculture pond sediment (POM-a). The organic carbon normalized partition coefficient (k oc ) varied from 215.0 to 4493.6 L kg -1 , and it was nearly 10× higher for the POM-w, POM-f1 and POM-f2 than in the POM-o and POM-a. Sorption of OTC by POM exhibited strong pH dependence. Ionic factors affected OTC sorption in POM-f1, POM-f2 and POM-a. The sorption capacity declined >50% in a solution with Ca 2+ compared to other ions with similar ionic strength. Sorption thermodynamics showed an entropy increasing and endothermic progress during the OTC sorption in POM, implying a spontaneous sorption process. Several mechanisms were involved in OTC sorption in POM, including hydrogen bonding, cation exchange, hydrophobic partitioning and surface complexation.

Sorption of oxytetracycline in particulate organic matter in soils and sediments: Roles of pH, ionic strength and temperature.

The Science of the total environment

chemistry

CC-115 is a dual inhibitor of the mechanistic target of rapamycin (mTOR) kinase and the DNA-dependent protein kinase (DNA-PK) that is currently being studied in phase I/II clinical trials. DNA-PK is essential for the repair of DNA-double strand breaks (DSB). Radiotherapy is frequently used in the palliative treatment of metastatic melanoma patients and induces DSBs. Melanoma cell lines and healthy-donor skin fibroblast cell lines were treated with CC‑115 and ionizing irradiation (IR). Apoptosis, necrosis, and cell cycle distribution were analyzed. Colony forming assays were conducted to study radiosensitizing effects. Immunofluorescence microscopy was performed to determine the activity of homologous recombination (HR). In most of the malign cell lines, an increasing concentration of CC-115 resulted in increased cell death. Furthermore, strong cytotoxic effects were only observed in malignant cell lines. Regarding clonogenicity, all cell lines displayed decreased survival fractions during combined inhibitor and IR treatment and supra-additive effects of the combination were observable in 5 out of 9 melanoma cell lines. CC-115 showed radiosensitizing potential in 7 out of 9 melanoma cell lines, but not in healthy skin fibroblasts. Based on our data CC-115 treatment could be a promising approach for patients with metastatic melanoma, particularly in the combination with radiotherapy.

Dual mTOR/DNA-PK Inhibitor CC-115 Induces Cell Death in Melanoma Cells and Has Radiosensitizing Potential.

International journal of molecular sciences

cs

High levels of docosahexaenoic acid (DHA) in the phospholipids of mammalian brain have generated increasing interest in the search for its role in regulating brain functions. Recent studies have provided evidence for enhanced protective effects when DHA is administered in combination with phytochemicals, such as quercetin. DHA and quercetin can individually suppress lipopolysaccharide (LPS)⁻induced oxidative/inflammatory responses and enhance the antioxidative stress pathway involving nuclear factor erythroid-2 related factor 2 (Nrf2). However, studies with BV-2 microglial cells indicated rather high concentrations of DHA (IC 50 in the range of 60⁻80 µM) were needed to produce protective effects. To determine whether quercetin combined with DHA can lower the levels of DHA needed to produce protective effects in these cells is the goal for this study. Results showed that low concentrations of quercetin (2.5 µM), in combination with DHA (10 µM), could more effectively enhance the expression of Nrf2 and heme oxygenase 1 (HO-1), and suppress LPS⁻induced nitric oxide, tumor necrosis factor-α, phospho-cytosolic phospholipase A₂, reactive oxygen species, and 4-hydroxynonenal, as compared to the same levels of DHA or quercetin alone. These results provide evidence for the beneficial effects of quercetin in combination with DHA, and further suggest their potential as nutraceuticals for improving health.

Quercetin Potentiates Docosahexaenoic Acid to Suppress Lipopolysaccharide-induced Oxidative/Inflammatory Responses, Alter Lipid Peroxidation Products, and Enhance the Adaptive Stress Pathways in BV-2 Microglial Cells.

International journal of molecular sciences

cs

Recently long non-coding RNAs (lncRNAs) were highlighted for their regulatory role in tumor biology. The novel human lncRNA cancer susceptibility candidate 2 ( CASC2 ) has been characterized as a potential tumor suppressor in several tumor types. However, the roles of CASC2 and its interplay with miR-21 in different malignancy grade patient gliomas remain unexplored. Here we screened 99 different malignancy grade astrocytomas for CASC2 , and miR-21 gene expression by real-time quantitative polymerase chain reaction (RT-qPCR) in isocitrate dehydrogenase 1 ( IDH1 ) and O-6-methylguanine methyltransferase ( MGMT ) assessed gliomas. CASC2 expression was significantly downregulated in glioblastomas ( p = 0.0003). Gliomas with low CASC2 expression exhibited a high level of miR-21 , which was highly associated with the higher glioma grade ( p = 0.0001), IDH1 wild type gliomas ( p < 0.0001), and poor patient survival ( p < 0.001). Taken together, these observations suggest that CASC2 acts as a tumor suppressor and potentially as a competing endogenous RNA (ceRNA) for miR-21, plays important role in IDH1 wild type glioma pathogenesis and patients' outcomes.

The Role of CASC2 and miR-21 Interplay in Glioma Malignancy and Patient Outcome.

International journal of molecular sciences

cs

Environmental or biomedical exposure to nanoparticles (NPs) can results in translocation and accumulation of NPs in the brain, which can lead to health-related problems. NPs have been shown to induce toxicity to neuronal cells through several direct mechanisms, but only a few studies have also explored the indirect effects of NPs, through consequences due to the exposure of neighboring cells to NPs. In this study, we analysed possible direct and indirect effects of NPs (polyacrylic acid (PAA) coated cobalt ferrite NP, TiO 2 P25 and maghemite NPs) on immortalized mouse microglial cells and differentiated CAD mouse neuronal cells in monoculture (direct toxicity) or in transwell co-culture system (indirect toxicity). We showed that although the low NP concentrations (2-25 µg/mL) did not induce changes in cell viability, cytokine secretion or NF-κB activation of microglial cells, even low NP concentrations of 10 µg/mL can affect the cells and change their secretion of protein stress mediators. These can in turn influence neuronal cells in indirect exposure model. Indirect toxicity of NPs is an important and not adequately assessed mechanism of NP toxicity, since it not only affects cells on the exposure sites, but through secretion of signaling mediators, can also affect cells that do not come in direct contact with NPs.

Analysis of the Direct and Indirect Effects of Nanoparticle Exposure on Microglial and Neuronal Cells In Vitro.

International journal of molecular sciences

cs

Metastatic bone disease has a major impact on morbidity of breast cancer (BC) patients. Alterations in mTOR signaling are involved both in cancer progression and in osteoclast differentiation. The purpose of this study was to assess the role of mTOR inhibitor Everolimus (Eve) on osteoclastogenesis induced by triple negative BC cells. To this aim, we developed an in vitro human model of osteoclastogenesis from peripheral blood monocytes co-cultured with the triple negative SCP2 and the hormonal receptor positive MCF7 cell lines. Osteoclastogenesis was evaluated by TRAP staining, evaluation of F actin rings and Calcitonin Receptor expression. Eve significantly reduced differentiation induced by cancer cells and resulted more effective when evaluated in combination with Denosumab and Zoledronic Acid (Zol). Combination with Zol showed a total abrogation of osteoclast differentiation induced by the triple negative cell line, not by MCF7. Finally, we observed that Eve was active in the inhibition of the crosstalk between cancer cells and osteoclasts reproduced by our model, highlighting a new therapeutic choice for the subsetting of triple negative BC patients. We observed a difference in the response to bone-targeted therapy with respect to BC subtypes. Our model may represent a valid platform for preclinical trials on bone-targeted drugs and for the study of the interplay of BC with bone stromal cells.

The Effect of Everolimus in an In Vitro Model of Triple Negative Breast Cancer and Osteoclasts.

International journal of molecular sciences

cs

Human neurons rapidly die after ischemia and current therapies for stroke management are limited to restoration of blood flow to prevent further brain damage. Thrombolytics and mechanical thrombectomy are the available reperfusion treatments, but most of the patients remain untreated. Neuroprotective therapies focused on treating the pathogenic cascade of the disease have widely failed. However, many animal species demonstrate that neurons can survive the lack of oxygen for extended periods of time. Here, we reviewed the physiological and molecular pathways inherent to tolerant species that have been described to contribute to hypoxia tolerance. Among them, Foxo3 and Eif5A were reported to mediate anoxic survival in Drosophila and Caenorhabditis elegans, respectively, and those results were confirmed in experimental models of stroke. In humans however, the multiple mechanisms involved in brain cell death after a stroke causes translation difficulties to arise making necessary a timely and coordinated control of the pathological changes. We propose here that, if we were able to plagiarize such natural hypoxia tolerance through drugs combined in a pharmacological cocktail it would open new therapeutic opportunities for stroke and likely, for other hypoxic conditions.

Hypoxia Tolerant Species: The Wisdom of Nature Translated into Targets for Stroke Therapy.

International journal of molecular sciences

cs

Wheat and barley are the most highly produced and consumed grains in the world. Various pathogens-viruses, bacteria, fungi, insect pests, and nematode parasites-are major threats to yield and economic losses. Strategies for the management of disease control mainly depend on resistance or tolerance breeding, chemical control, and biological control. The discoveries of RNA silencing mechanisms provide a transgenic approach for disease management. Host-induced gene silencing (HIGS) employing RNA silencing mechanisms and, specifically, silencing the targets of invading pathogens, has been successfully applied in crop disease prevention. Here, we cover recent studies that indicate that HIGS is a valuable tool to protect wheat and barley from diseases in an environmentally friendly way.

Host-Induced Gene Silencing: A Powerful Strategy to Control Diseases of Wheat and Barley.

International journal of molecular sciences

cs

Cell therapy raises hope to reduce the harmful effects of acute myocardial ischemia. Stem and progenitor cells (SPCs) may be a valuable source of trophic factors. In this study, we assessed the plasma levels of selected trophic factors in patients undergoing application of autologous bone marrow (BM)-derived, lineage-negative (Lin - ) stem/progenitor cells into the coronary artery in the acute phase of myocardial infarction. The study group consisted of 15 patients with acute myocardial infarction (AMI) who underwent percutaneous revascularization and, afterwards, Lin - stem/progenitor cell administration into the infarct-related artery. The control group consisted of 19 patients. BM Lin - cells were isolated using immunomagnetic methods. Peripheral blood was collected on day 0, 2, 4, and 7 and after the first and third month to assess the concentration of selected trophic factors using multiplex fluorescent bead-based immunoassays. We found in the Lin - group that several angiogenic trophic factors (vascular endothelial growth factor, Angiopoietin-1, basic fibroblast growth factor, platelet-derived growth factor-aa) plasma level significantly increased to the 4th day after myocardial infarction. In parallel, we noticed a tendency where the plasma levels of the brain-derived neurotrophic factor were increased in the Lin - group. The obtained results suggest that the administered SPCs may be a valuable source of angiogenic trophic factors for damaged myocardium, although this observation requires further in-depth studies.

Novel Evidence of the Increase in Angiogenic Factor Plasma Levels after Lineage-Negative Stem/Progenitor Cell Intracoronary Infusion in Patients with Acute Myocardial Infarction.

International journal of molecular sciences

cs

Of the three interleukin-22 binding protein (IL-22BP) isoforms produced by the human IL22RA2 gene, IL-22BPi2 and IL-22BPi3 are capable of neutralizing IL-22. The longest isoform, IL-22BPi1, does not bind IL-22, is poorly secreted, and its retention within the endoplasmic reticulum (ER) is associated with induction of an unfolded protein response (UPR). Therapeutic modulation of IL-22BPi2 and IL-22BPi3 production may be beneficial in IL-22-dependent disorders. Recently, we identified the ER chaperones GRP94 and cyclophilin B in the interactomes of both IL-22BPi1 and IL-22BPi2. In this study, we investigated whether secretion of the IL-22BP isoforms could be modulated by pharmacological targeting of GRP94 and cyclophilin B, either by means of geldanamycin, that binds to the ADP/ATP pocket shared by HSP90 paralogs, or by cyclosporin A, which causes depletion of ER cyclophilin B levels through secretion. We found that geldanamycin and its analogs did not influence secretion of IL-22BPi2 or IL-22BPi3, but significantly enhanced intracellular and secreted levels of IL-22BPi1. The secreted protein was heterogeneously glycosylated, with both high-mannose and complex-type glycoforms present. In addition, cyclosporine A augmented the secretion of IL-22BPi1 and reduced that of IL-22BPi2 and IL-22BPi3. Our data indicate that the ATPase activity of GRP94 and cyclophilin B are instrumental in ER sequestration and degradation of IL-22BPi1, and that blocking these factors mobilizes IL-22BPi1 toward the secretory route.

Pharmacological Targeting of the ER-Resident Chaperones GRP94 or Cyclophilin B Induces Secretion of IL-22 Binding Protein Isoform-1 (IL-22BPi1).

International journal of molecular sciences

cs

Brugada syndrome (BrS) is marked by coved ST-segment elevation and increased risk of sudden cardiac death. The genetics of this syndrome are elusive in over half of the cases. Variants in the SCN5A gene are the single most common known genetic unifier, accounting for about a third of cases. Research models, such as animal models and cell lines, are limited. In the present study, we report the novel NM_198056.2:c.1111C>T (p.Gln371*) heterozygous variant in the SCN5A gene, as well as its segregation with BrS in a large family. The results herein suggest a pathogenic effect of this variant. Functional studies are certainly warranted to characterize the molecular effects of this variant.

Genotype-Phenotype Correlation in a Family with Brugada Syndrome Harboring the Novel p.Gln371* Nonsense Variant in the SCN5A Gene.

International journal of molecular sciences

cs

Extracellular nucleotides, such as adenosine triphosphate (ATP), are released from host cells including nerve termini, immune cells, injured or dead cells, and the commensal bacteria that reside in the gut lumen. Extracellular ATP interacts with the host through purinergic receptors, and promotes intercellular and bacteria-host communication to maintain the tissue homeostasis. However, the release of massive concentrations of ATP into extracellular compartments initiates acute and chronic inflammatory responses through the activation of immunocompetent cells (e.g., T cells, macrophages, and mast cells). In this review, we focus on the functions of ATP as a pathophysiologic mediator that is required for the induction and resolution of inflammation and inter-species communication.

ATP as a Pathophysiologic Mediator of Bacteria-Host Crosstalk in the Gastrointestinal Tract.

International journal of molecular sciences

cs

In this paper, a simple and specific graphene quantum dots (GQDs)-based fluorescent biosensor adopted for the determination of glucose based on the combination of the enzyme-coupled method and fluorescence quenching mechanism is demonstrated. Glucose was oxidized by the enzyme glucose oxidase (GOx), forming hydrogen peroxide (H 2 O 2 ) via the catalysis by horseradish peroxidase (HRP). H 2 O 2 was then employed to oxidize phenol to quinone, which led to effective quenching effect in the GQDs⁻GOx⁻HRP⁻phenol system. By optimizing the reaction conditions of the GQDs-enzyme system, a linear relationship between the concentration of glucose and the fluorescence intensity over a range of 0.2⁻10 μ mol/L was obtained. The limit of detection for glucose is 0.08 μ mol/L. The present biosensor for the determination of glucose showed satisfactory reproducibility and accuracy in human serum samples. Since the enzymes have high specificity and unique affinity to the certain substance, the enzyme-coupled system promises a sensitive way for further detection of those chemicals which could be oxidized by enzymes and generated H 2 O 2 or glucose. GQDs and other fluorescent materials coupled with several enzymes can be applied to extensive sensing field.

Graphene Quantum Dots and Enzyme-Coupled Biosensor for Highly Sensitive Determination of Hydrogen Peroxide and Glucose.

International journal of molecular sciences

cs

Ataxia is a common clinical feature in inherited metabolic disorders. There are more than 150 inherited metabolic disorders in patients presenting with ataxia in addition to global developmental delay, encephalopathy episodes, a history of developmental regression, coarse facial features, seizures, and other types of movement disorders. Seizures and a history of developmental regression especially are important clinical denominators to consider an underlying inherited metabolic disorder in a patient with ataxia. Some of the inherited metabolic disorders have disease specific treatments to improve outcomes or prevent early death. Early diagnosis and treatment affect positive neurodevelopmental outcomes, so it is important to think of inherited metabolic disorders in the differential diagnosis of ataxia.

Inherited Metabolic Disorders Presenting with Ataxia.

International journal of molecular sciences

cs

In mammalian reproduction, sexually active males seek female conspecifics, while estrous females try to approach males. This sex-specific response tendency is called sexual preference. In small rodents, sexual preference cues are mainly chemosensory signals, including pheromones. In this article, we review the physiological mechanisms involved in sexual preference for opposite-sex chemosensory signals in well-studied laboratory rodents, mice, rats, and hamsters of both sexes, especially an overview of peripheral sensory receptors, and hormonal and central regulation. In the hormonal regulation section, we discuss potential rodent brain bisexuality, as it includes neural substrates controlling both masculine and feminine sexual preferences, i.e., masculine preference for female odors and the opposite. In the central regulation section, we show the substantial circuit regulating sexual preference and also the influence of sexual experience that innate attractants activate in the brain reward system to establish the learned attractant. Finally, we review the regulation of sexual preference by neuropeptides, oxytocin, vasopressin, and kisspeptin. Through this review, we clarified the contradictions and deficiencies in our current knowledge on the neuroendocrine regulation of sexual preference and sought to present problems requiring further study.

Neural and Hormonal Basis of Opposite-Sex Preference by Chemosensory Signals.

International journal of molecular sciences

cs

Cluster of differentiation 73 (CD73, also known as ecto-5'-nucleotidase) is an enzyme that converts AMP into adenosine. CD73 is a surface enzyme bound to the outside of the plasma membrane expressed in several cells and regulates immunity and inflammation. In particular, it is known to inhibit T cell-mediated immune responses. However, the regulation of CD73 expression by hormones in the uterus is not yet clearly known. In this study, we investigated the expression of CD73 in ovariectomized mice treated with estrogen or progesterone and its regulation in the mouse uterus during the estrous cycle. The level of CD73 expression was dynamically regulated in the uterus during the estrous cycle. CD73 protein expression was high in proestrus, estrus, and diestrus, whereas it was relatively low in the metestrus stage. Immunofluorescence revealed that CD73 was predominantly expressed in the cytoplasm of the luminal and glandular epithelium and the stroma of the endometrium. The expression of CD73 in ovariectomized mice was gradually increased by progesterone treatment. However, estrogen injection did not affect its expression. Moreover, CD73 expression was increased when estrogen and progesterone were co-administered and was inhibited by the pretreatment of the progesterone receptor antagonist RU486. These findings suggest that the expression of CD73 is dynamically regulated by estrogen and progesterone in the uterine environment, and that there may be a synergistic effect of estrogen and progesterone.

Expression and Regulation of CD73 during the Estrous Cycle in Mouse Uterus.

International journal of molecular sciences

cs

Chronic neuroinflammation contributes to the pathogenesis of Parkinson's disease (PD). However, cellular and molecular mechanisms by which chronic neuroinflammation is formed and maintained remain elusive. This study aimed to explore detailed mechanisms by which anti-inflammatory cytokine interleukin-10 (IL-10) prevented chronic neuroinflammation and neurodegeneration. At 24 h after an intranigral injection of lipopolysaccharide (LPS), levels of NLRP3, pro-caspase-1, pro-IL-1β, active caspase-1, and mature IL-1β in the midbrain were much higher in IL-10 -/- mice than wildtype mice. Mechanistically, IL-10 -/- microglia produced more intracellular reactive oxygen species (iROS) and showed more profound activation of NADPH oxidase (NOX2) than wildtype microglia. Meanwhile, suppression of NOX2-derived iROS production blocked LPS-elicited caspase-1 activation and IL-1β maturation in IL-10 -/- microglia in vitro and in vivo. One month after intranigral LPS injection, IL-10 -/- mice revealed more profound microglial activation and dopaminergic neurodegeneration in the substantia nigra than wildtype mice. Importantly, such PD-like pathological changes were prevented by IL-1β neutralization. Collectively, IL-10 inhibited LPS-elicited production of NOX2-derived iROS thereby suppressing synthesis of NLRP3, pro-caspase-1 and pro-IL-1β and their activation and cleavage. By this mechanism, IL-10 prevented chronic neuroinflammation and neurodegeneration. This study suggested boosting anti-inflammatory effects of IL-10 and suppressing NLRP3 inflammasome activation could be beneficial for PD treatment.

Through Reducing ROS Production, IL-10 Suppresses Caspase-1-Dependent IL-1β Maturation, thereby Preventing Chronic Neuroinflammation and Neurodegeneration.

International journal of molecular sciences

cs

The advanced and performing technologies of glucose monitoring systems provide a large amount of glucose data that needs to be properly read and interpreted by the diabetology team in order to make therapeutic decisions as close as possible to the patient's metabolic needs. For this purpose, new parameters have been developed, to allow a more integrated reading and interpretation of data by clinical professionals. The new challenge for the diabetes community consists of promoting an integrated and homogeneous reading, as well as interpretation of glucose monitoring data also by the patient himself. The purpose of this review is to offer an overview of the glycemic status assessment, opened by the current data management provided by latest glucose monitoring technologies. Furthermore, the applicability and personalization of the different glycemic monitoring devices used in specific insulin-treated diabetes mellitus patient populations will be evaluated.

Glycemic Status Assessment by the Latest Glucose Monitoring Technologies.

International journal of molecular sciences

cs

Heat shock proteins (Hsps) form a large family of evolutionarily conserved molecular chaperones that help balance protein folding and protect cells from various stress conditions. However, there is growing evidence that Hsps may also play an active role in developmental processes. Here, we take the example of developmental expression and function of one class of Hsps characterized by low molecular weight, the small Hsps (sHsps). We discuss recent reports and genome-wide datasets that support vital sHsps functions in the developing nervous system, reproductive system, and muscles. This tissue- and time-specific sHsp expression is developmentally regulated, so that the enhancer sequence of an sHsp gene expressed in developing muscle, in addition to stress-inducible elements, also carries binding sites for myogenic regulatory factors. One possible reason for sHsp genes to switch on during development and in non-stress conditions is to protect vital developing organs from environmental insults.

Developmental Expression and Functions of the Small Heat Shock Proteins in Drosophila.

International journal of molecular sciences

cs

Titanium dioxide (TiO₂) nanoparticles are widely used in cosmetics, sunscreens, biomedicine, and food products. When used as a food additive, TiO₂ nanoparticles are used in significant amounts as white food-coloring agents. However, the effects of TiO₂ nanoparticles on the gastrointestinal tract remain unclear. The present study was designed to determine the effects of five TiO₂ particles of different crystal structures and sizes in human epithelial colorectal adenocarcinoma (Caco-2) cells and THP-1 monocyte-derived macrophages. Twenty-four-hour exposure to anatase (primary particle size: 50 and 100 nm) and rutile (50 nm) TiO₂ particles reduced cellular viability in a dose-dependent manner in THP-1 macrophages, but in not Caco-2 cells. However, 72-h exposure of Caco-2 cells to anatase (50 nm) TiO₂ particles reduced cellular viability in a dose-dependent manner. The highest dose (50 µg/mL) of anatase (100 nm), rutile (50 nm), and P25 TiO₂ particles also reduced cellular viability in Caco-2 cells. The production of reactive oxygen species tended to increase in both types of cells, irrespective of the type of TiO₂ particle. Exposure of THP-1 macrophages to 50 µg/mL of anatase (50 nm) TiO₂ particles increased interleukin (IL)-1β expression level, and exposure of Caco-2 cells to 50 µg/mL of anatase (50 nm) TiO₂ particles also increased IL-8 expression. The results indicated that anatase TiO₂ nanoparticles induced inflammatory responses compared with other TiO₂ particles. Further studies are required to determine the in vivo relevance of these findings to avoid the hazards of ingested particles.

Titanium Dioxide Particle Type and Concentration Influence the Inflammatory Response in Caco-2 Cells.

International journal of molecular sciences

cs

Cutting off the glucose supply by glucose oxidase (GOx) has been regarded as an emerging strategy in cancer starvation therapy. However, the standalone GOx delivery suffered suboptimal potency for tumor elimination and potential risks of damaging vasculatures and normal organs during transportation. To enhance therapeutic efficacy and tumor specificity, a site-specific activated dual-catalytic nanoreactor was herein constructed by embedding GOx and ferrocene in hyaluronic acid (HA)-enveloped dendritic mesoporous silica nanoparticles to promote intratumoral oxidative stress in cancer starvation. In this nanoreactor, the encapsulated GOx served as the primary catalyst that accelerated oxidation of glucose and generation of H 2 O 2 , while the covalently linked ferrocene worked as the secondary catalyst for converting the upstream H 2 O 2 to more toxic hydroxyl radicals ( • OH) via a classic Fenton reaction. The outmost HA shell not only offered a shielding layer for preventing blood glucose from oxidation during nanoreactor transportation, thus minimizing the probable oxidative damage to normal tissues, but also imparted the nanoreactor with targeting ability for facilitating its internalization into CD44-overexpressing tumor cells. After the nanoreactor was endocytosed by target cells, the HA shell underwent hyaluronidase-triggered degradation in lysosomes and switched on the cascade catalytic reaction mediated by GOx and ferrocene. The resulting glucose exhaustion and • OH accumulation would effectively kill cancer cells and suppress tumor growth via combination of starvation and oxidative stress enhancement. Both in vitro and in vivo results indicated the significantly amplified therapeutic effects of this synergistic therapeutic strategy based on the dual-catalytic nanoreactor. Our study provides a new avenue for engineering therapeutic nanoreactors that take effect in a tumor-specific and orchestrated fashion for cancer starvation therapy.

Promoting Oxidative Stress in Cancer Starvation Therapy by Site-Specific Startup of Hyaluronic Acid-Enveloped Dual-Catalytic Nanoreactors.

ACS applied materials & interfaces

engineering

Interface engineering is very important to the high performance of organic optoelectronic devices that are commonly composed of multilayer thin solid films. Interfacial materials are particularly crucial for interface engineering, and a variety of materials have been employed at the interface to accomplish various different functions. This Review summarizes various materials for the interfaces and some of the latest progress in organic solar cells (OSCs) and organic photodetectors (OPDs).

Materials for Interfaces in Organic Solar Cells and Photodetectors.

ACS applied materials & interfaces

engineering

Rational design of anode materials comprising rich benefits of high capacity, superior rate capability, and exalted lifetime is of considerable significance in the progress of high-performance Li-ion batteries (LIBs) and supercapatteries. Herein, highly porous cobalt vanadate (Co 2 VO 4 ) nanospheres encapsulated with reduced graphene oxide (rGO) nanosheets (rGO@CoV PNSs) were prepared by a facile hydrothermal method and employed as a hybrid composite-based anode material for energy storage devices. The nanocavities and porous features of CoV nanospheres, and the laminated rGO nanosheets over CoV PNSs can significantly surpass the volume changes and enhance the surface electrokinetics, respectively. With benefits of rich redox activity and constructive traits, the rGO@CoV PNSs as an electrode material in LIBs exhibited superior reversible capacity of 780.6 mAh/g after 100 cycles with remarkable rate performance. Moreover, the hybrid composite displayed an excellent reversible capacity of 531.8 mAh/g even after 1000 cycles performed at 1000 mA/g. Utilizing the synergistic features, the rGO@CoV PNSs composite was also explored as a battery-type electrode for supercapatteries. The fabricated supercapattery device with rGO@CoV PNSs and rGO demonstrated good rate performance including superior areal energy (0.048 mWh/cm 2 ) and power (9.96 mW/cm 2 ) densities. Therefore, the graphene sheathed metal vanadates would be an ultrahigh rate electrode candidates for energy storage devices.

Graphene Matrix Sheathed Metal Vanadate Porous Nanospheres for Enhanced Longevity and High-Rate Energy Storage Devices.

ACS applied materials & interfaces

engineering

In recent years, conductive hydrogels have generated tremendous attention in biomedicals and bioelectronics fields due to their excellent physiochemical properties. In this study, a physically cross-linked conducting hydrogel has been designed in combination with cellulose nanocrystalline (CNC), polyacrylic acid (PAA) chains, laurel methacrylate, and sodium dodecyl sulfate. The obtained result shows that the hydrogel prepared is ultrastretchable, mechanically robust, transparent, biocompatible, conductive, and self-healing. The mechanical property of the prepared hydrogel is optimized through variation of the CNC content. The optimal hydrogel (CNC-1/PAA) exhibits an impressive mechanics, including high stretchability (∼1800%) and compressibility, good elasticity, and fatigue resistance. Furthermore, the conductivity of the hydrogel enables tensile strain- and pressure-sensing capabilities. The CNC/PAA-based flexible sensors are successfully designed, which shows high sensitivity, fast response (290 ms), and excellent cycle stability as well as the pressure sensing capability. As a result, the designed hydrogel has the ability to sense and detect diverse human motion, including elbow/finger/wrist bending and speaking, which demonstrates that the designed self-healing conductive hydrogels have significant potential for applications in flexible electronics.

Healable, Adhesive, and Conductive Nanocomposite Hydrogels with Ultrastretchability for Flexible Sensors.

ACS applied materials & interfaces

engineering

Polycrystalline Ti 1+ x S 2 (0.111 ≤ x ≤ 0.161) with high density and controllable composition were successfully prepared using solid-state reaction combined with plasma-activated sintering. Ti 1+ x S 2 showed strong (00 l) preferred orientation with Lotgering factor of 0.32-0.60 perpendicular to the pressing direction (⊥), whereas the preferred orientation was not obvious along the pressing direction (∥). This structural anisotropy resulted in distinct anisotropic thermoelectric transport properties in Ti 1+ x S 2 . At 300 K, while the Seebeck coefficient was weak anisotropic, the power factor and lattice thermal conductivity of Ti 1+ x S 2 was much larger in the perpendicular direction as compared to that of the parallel direction, with an anisotropic ratio of 1.8-2.7 and 1.3-1.7, respectively. Theoretical calculations of formation energy of defects suggested that the excess Ti was most probably intercalated into the van der Waals gaps in metal-rich Ti 1+ x S 2 , consistent with X-ray diffraction, high-resolution transmission electron microscopy characterization and transport measurements. With increasing x, the carrier concentration and power factor of Ti 1+ x S 2 dramatically increased because of the donor behavior of Ti interstitials, which was accompanied by a significant decrease in the lattice thermal conductivity owing to the strengthened phonon scattering from structural disorder. Because of its strongest (00 l) preferred orientation and largest carrier mobility among all samples, Ti 1.112 S 2 had the highest power factor of 22 μW cm -1 K -2 at 350 K perpendicular to the pressing direction, close to the value (37.1 μW cm -1 K -2 ) achieved in single-crystal TiS 2 . We found out that the maximum power factor and dimensionless figure of merit ZT could be achieved at an optimum carrier concentration of about 5.0 × 10 20 cm -3 . Finally, Ti 1.142 S 2 acquired the highest ZT value of 0.40 at 725 K perpendicular to the pressing direction because of the beneficial preferred orientation, improved power factor, and reduced lattice thermal conductivity.

Electron Density Optimization and the Anisotropic Thermoelectric Properties of Ti Self-Intercalated Ti1+ xS2 Compounds.

ACS applied materials & interfaces

engineering

Any transition toward an era of flexible electronics will have to overcome the mechanical limitations of materials. Specifically, the attainment of both strength and flexibility, which are generally mutually exclusive, is required including glass-like wear resistance, plastic-like compliance, and a high level of strain. Here, we fabricate a urethane-methacrylate-siloxane hybrid (UMSH) material. It is found that UMSH, with molecule-level hybridization of urethane linkage and methacrylate-siloxane conetworks, demonstrates ceramic-like high strength (574 MPa), yet polymer-like low modulus (8.42 GPa), and even high strain (6.3%) at fracture with excellent optical transparency. This combination of high strength, flexibility, and optical transparency indicates that this is a suitable material for glass substitution and can be used as a transparent flexible cover window for foldable display.

Transparent Urethane-Siloxane Hybrid Materials for Flexible Cover Windows with Ceramic-Like Strength, yet Polymer-Like Modulus.

ACS applied materials & interfaces

engineering

Photoswitchable organic field-effect transistors (OFETs) with embedded photochromic materials are considered as a promising platform for development of organic optical memory devices. Unfortunately, the operational mechanism of these devices and guidelines for selection of light-sensitive materials are still poorly explored. In the present work, a series of photochromic dihetarylethenes with a cyclopentenone bridge moiety were investigated as a dielectric/semiconductor interlayer in the structure of photoswitchable OFETs. It was shown that the electrical performance and stability of the devices can be tuned by variation of the substituents in the structure of the photochromic material. In particular, it was found that dihetarylethenes with donor substituents demonstrated the best light-induced switching effects (wider memory windows and higher switching coefficients) in the devices. The operation mechanism of the light-triggered memory devices was proposed based on the differential in situ Fourier transform infrared (FTIR) spectroscopy data and regression analysis of the threshold voltage-programming time experimental dependencies. The established relationships will facilitate further rational design of new photochromic materials, thus paving a way to fast and durable organic optical memories and memory transistors (memristors).

Light-Sensitive Material Structure-Electrical Performance Relationship for Optical Memory Transistors Incorporating Photochromic Dihetarylethenes.

ACS applied materials & interfaces

engineering

There is a growing demand for flexible electronic devices. In particular, strain sensors with high performance have attracted more and more attention, because they can be attached on clothing or human skin for applications in the real-time monitoring of human activities. However, monitoring human-body motions that include both subtle and intensive motions, and many strain sensors cannot meet the diverse demands simultaneously. In this work, a silver nanoparticles (Ag NPs) bridged graphene strain sensor is developed for simultaneously detecting subtle and intensive human motions. Ag NPs serve as many bridges to connect the self-overlapping graphene sheets, which endows the strain sensor with many excellent performances. Because of the high sensitivity, with a large gauge factor (GF) of 475 and a strain range of >14.5%, high durability of the sensor has been achieved. Besides, the excellent consistency and repeatability of the fabrication process is verified. Furthermore, the model for explaining the working mechanism of the strain sensor is proposed. Most importantly, the designed wearable strain sensor can be applied in human motion detection, including large-scale motions and small-scale motions.

Simultaneously Detecting Subtle and Intensive Human Motions Based on a Silver Nanoparticles Bridged Graphene Strain Sensor.

ACS applied materials & interfaces

engineering

Transition metal phosphides recently have been identified as promising Earth-abundant electrocatalysts for the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Here, we present a general and scalable strategy for the synthesis of transition metal phosphide electrodes based on the reaction of commercially available metal foils (Fe, Co, Ni, Cu, and NiFe) with various organophosphine reagents. The resulting phosphide electrodes were found to exhibit excellent electrocatalytic HER and OER performance. The most active electrodes required overpotentials of only -128 mV for the HER in acid (Ni2P), -183 mV for the HER in base (Ni2P), and 277 mV for the OER in base (NiFeP) to produce operationally relevant current densities of 10 mA cm(-2). Such HER and OER performance compares favorably with samples prepared using significantly more elaborate and costly procedures. Furthermore, we demonstrate that the approach can also be utilized to obtain highly active and conformal metal phosphide coatings on photocathode materials, such as highly doped Si, that are relevant to solar fuels production.

General Strategy for the Synthesis of Transition Metal Phosphide Films for Electrocatalytic Hydrogen and Oxygen Evolution.

ACS applied materials & interfaces

engineering

Ultralight nanofiber aerogels (NFAs) or nanofiber sponges are a truly three-dimensional derivative of the intrinsically flat electrospun nanofiber mats or membranes (NFMs). Here we investigated the potential of such materials for particle or aerosol filtration because particle filtration is a major application of NFMs. Ultralight NFAs were synthesized from electrospun nanofibers using a solid-templating technique. These materials had a tunable hierarchical cellular open-pore structure. We observed high filtration efficiencies of up to 99.999% at the most penetrating particle size. By tailoring the porosity of the NFAs through the processing parameters, we were able to adjust the number of permeated particles by a factor of 1000 and the pressure drop by a factor of 9. These NFAs acted as a deep-bed filter, and they were capable of handling high dust loadings without any indication of performance loss or an increase in the pressure drop. When the face velocity was increased from 0.75 to 6 cm s -1 , the filtration efficiency remained high within a factor of 1.1-10. Both characteristics were in contrast to the behavior of two commercial NFM particle filters, which showed significant increases in the pressure drop with the filtration time as well as a susceptibility against high face velocities by a factor of 105.

Exploration of Ultralight Nanofiber Aerogels as Particle Filters: Capacity and Efficiency.

ACS applied materials & interfaces

engineering

The technologically important frequency range for the application of electrostrictors and piezoelectrics is tens of Hz to tens of kHz. Sm 3+ - and Gd 3+ -doped ceria ceramics, excellent intermediate-temperature ion conductors, have been shown to exhibit very large electrostriction below 1 Hz. Why this is so is still not understood. While optimal design of ceria-based devices requires an in-depth understanding of their mechanical and electromechanical properties, systematic investigation of the influence of dopant size on frequency response is lacking. In this report, the mechanical and electromechanical properties of dense ceria ceramics doped with trivalent lanthanides (RE 0.1 Ce 0.9 O 1.95 , RE = Lu, Yb, Er, Gd, Sm, and Nd) were investigated. Young's, shear, and bulk moduli were obtained from ultrasound pulse echo measurements. Nanoindentation measurements revealed room-temperature creep in all samples as well as the dependence of Young's modulus on the unloading rate. Both are evidence for viscoelastic behavior, in this case anelasticity. For all samples, within the frequency range f = 0.15-150 Hz and electric field E ≤ 0.7 MV/m, the longitudinal electrostriction strain coefficient (| M 33 |) was 10 2 to 10 4 -fold larger than expected for classical (Newnham) electrostrictors. However, electrostrictive strain in Er-, Gd-, Sm-, and Nd-doped ceramics exhibited marked frequency relaxation, with the Debye-type characteristic relaxation time τ ≤ 1 s, while for the smallest dopants-Lu and Yb-little change in electrostrictive strain was detected over the complete frequency range studied. We find that only the small, less-studied dopants continue to produce useable electrostrictive strain at the higher frequencies. We suggest that this striking difference in frequency response may be explained by postulating that introduction of a dopant induces two types of polarizable elastic dipoles and that the dopant size determines which of the two will be dominant.

Trivalent Dopant Size Influences Electrostrictive Strain in Ceria Solid Solutions.

ACS applied materials & interfaces

engineering

Two new platinum(II) compounds with trans -(NHC) 2 Pt(C≡C-C≡C-R) 2 (where NHC = N-heterocyclic carbene and R = phenyl or trimethylsilyl) architecture exhibit sharp blue-green or saturated deep-blue phosphorescence with high color purity. The photoluminescence of both compounds is dominated by an intense 0-0 band with distinct but weaker vibronic progressions in both tetrahydrofuran (THF) and poly(methyl methacrylate) (PMMA) matrix. The full width at half-maximum (fwhm) of the photoluminescence of trans -(NHC) 2 Pt(C≡C-C≡C-trimethylsilyl) 2 are 10 nm at room temperature and 4 nm at 77 K, while the trans -(NHC) 2 Pt(C≡C-C≡C-phenyl) 2 shows a fwhm of 14 nm at room temperature and 8 nm at 77 K. The Commission International de L'Eclairage (CIE) coordinates of trans -(NHC) 2 Pt(C≡C-C≡C-phenyl) 2 are (0.222, 0.429) in PMMA, and trans -(NHC) 2 Pt(C≡C-C≡C-trimethylsilyl) 2 has a deep-blue CIE of (0.163, 0.077) in PMMA. When doped into PMMA, the phosphorescence quantum yield of the complex with trimethylsilyl-butadiyne ligand increases dramatically to 57% from 0.25% in THF, while the complex with phenyl-butadiyne ligand has similar quantum yields in PMMA (32%) and THF (37%). Organic light-emitting diodes (OLEDs) employing these two complexes as the emitters were successfully fabricated with electroluminescence that closely matches the corresponding photoluminescence. The OLEDs based on trans -(NHC) 2 Pt(C≡C-C≡C-trimethylsilyl) 2 display highly pure deep-blue electroluminescence (fwhm = 12 nm) with CIE coordinates of (0.172, 0.086), approaching the most stringent National Television System Committee (NTSC) coordinates for "pure" blue of (0.14, 0.08).

High-Purity and Saturated Deep-Blue Luminescence from trans-NHC Platinum(II) Butadiyne Complexes: Properties and Organic Light Emitting Diode Application.

ACS applied materials & interfaces

engineering

Metal oxides are commonly used as electrolytes for redox-based resistive switching memories. In most cases, non-noble metals are directly deposited as ohmic electrodes. We demonstrate that irrespective of bulk thermodynamics predictions an intermediate oxide film a few nanometers in thickness is always formed at the metal/insulator interface, and this layer significantly contributes to the development of reliable switching characteristics. We have tested metal electrodes and metal oxides mostly used for memristive devices, that is, Ta, Hf, and Ti and Ta 2 O 5 , HfO 2 , and SiO 2 . Intermediate oxide layers are always formed at the interfaces, whereas only the rate of the electrode oxidation depends on the oxygen affinity of the metal and the chemical stability of the oxide matrix. Device failure is associated with complete transition of short-range order to a more disordered main matrix structure.

Interfacial Metal-Oxide Interactions in Resistive Switching Memories.

ACS applied materials & interfaces

engineering

Atomically thin two-dimensional (2D) carbon nitride sheets (CNs) are attracting attention in the field of photocatalytic CO 2 reduction. Because of the rapid recombination of photogenerated electron-hole pairs and limited more active sites, the photocatalytic efficiency of CNs cannot meet the actual requirements. Here, atomically thin 2D/2D van der Waals heterostructures of metal-free graphdiyne (GDY)/CNs are fabricated through a simple electrostatic self-assembly method. Experimental characterizations along with first-principles calculations show that the introduction of GDY in CNs promoted the transport of photogenerated carriers in the melon chain, thus suppressing the recombination of photogenerated electron-hole pairs. Both in situ FTIR measurements and DFT calculation confirm that the introduced GDY served as the CO 2 adsorption site and enhanced the CO 2 adsorption capacity of the CNs/GDY heterostructure. Thanks to the 2D/2D van der Waals heterojunction, the optimized CNs/GDY enhances significantly the CO generation rate up to 95.8 μmol g -1 that is 19.2-fold higher than that of CNs. This work provides a viable approach for the design of metal-free van der Waals heterostructure-based photocatalysts with high catalytic activity.

Constructing van der Waals Heterogeneous Photocatalysts Based on Atomically Thin Carbon Nitride Sheets and Graphdiyne for Highly Efficient Photocatalytic Conversion of CO2 into CO.

ACS applied materials & interfaces

engineering

We recently showed that phase-pure molybdenum carbide nanotubes can be durable supports for platinum (Pt) nanoparticles in hydrogen evolution reaction (HER). In this paper we further characterize surface properties of the same Pt/β-Mo 2 C catalyst platform using carbon monoxide (CO)-Pt and CO-Mo 2 C bond strength of different Pt particle sizes in the <3 nm range. Results from diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temporal analysis of products (TAP) revealed the existence of different active sites as Pt particle size increases. Correlation between the resultant catalyst activity and deposited Pt particle size was further investigated using water-gas-shift (WGS) as a probe reaction, suggesting that precise control of particle diameter and thickness is needed for optimized catalytic activity.

Active Site and Electronic Structure Elucidation of Pt Nanoparticles Supported on Phase-Pure Molybdenum Carbide Nanotubes.

ACS applied materials & interfaces

engineering

Solar fuel generation mediated by semiconductor heterostructures represents a promising strategy for sustainable energy conversion and storage. The design of semiconductor heterostructures for photocatalytic energy conversion requires the separation of photogenerated charge carriers in real space and their delivery to active catalytic sites at the appropriate overpotentials to initiate redox reactions. Operation of the desired sequence of light harvesting, charge separation, and charge transport events within heterostructures is governed by the thermodynamic energy offsets of the two components and their photoexcited charge-transfer reactivity, which determine the extent to which desirable processes can outcompete unproductive recombination channels. Here, we map energetic offsets and track the dynamics of electron transfer in MoS 2 /CdS architectures, prepared by interfacing two-dimensional MoS 2 nanosheets with CdS quantum dots (QDs), and correlate the observed charge separation to photocatalytic activity in the hydrogen evolution reaction. The energetic offsets between MoS 2 and CdS have been determined using hard and soft X-ray photoemission spectroscopy (XPS) in conjunction with density functional theory. A staggered type-II interface is observed, which facilitates electron and hole separation across the interface. Transient absorption spectroscopy measurements demonstrate ultrafast electron injection occurring within sub-5 ps from CdS QDs to MoS 2 , allowing for creation of a long-lived charge-separated state. The increase of electron concentration in MoS 2 is evidenced with the aid of spectroelectrochemical measurements and by identifying the distinctive signatures of electron-phonon scattering in picosecond-resolution transient absorption spectra. Ultrafast charge separation across the type-II interface of MoS 2 /CdS heterostructures enables a high Faradaic efficiency of ∼99.4 ± 1.2% to be achieved in the hydrogen evolution reaction (HER) and provides a 40-fold increase in the photocatalytic activity of dispersed photocatalysts for H 2 generation. The accurate mapping of thermodynamic driving forces and dynamics of charge transfer in these heterostructures suggests a means of engineering ultrafast electron transfer and effective charge separation to design viable photocatalytic architectures.

Elucidating the Mechanistic Origins of Photocatalytic Hydrogen Evolution Mediated by MoS2/CdS Quantum-Dot Heterostructures.

ACS applied materials & interfaces

engineering

Advancement of a hydrogen economy requires establishment of a whole supply chain including hydrogen production, purification, storage, utilization, and recovery. Nevertheless, it remains challenging to selectively purify hydrogen out of H 2 -containing streams, especially at low concentrations. Herein, a novel protonic ceramic electrochemical cell is reported that can sustainably separate pure H 2 out of H 2 -diluted streams over the temperature regime of 350-500 °C by mildly controlling the electric voltage. With the Faraday's efficiency above 96%, the measured H 2 separation rate at 0.51 V and 500 °C is 3.3 mL cm -2 min -1 out of 10% H 2 - 90% N 2 , or 2.4 mL cm -2 min -1 out of 10% H 2 - 90% CH 4 taken as an example of renewable hydrogen blended in the natural gas pipelines. Such high hydrogen separation capability at reduced temperatures is enabled by the nanoporous nickel catalysts and well-bonded electrochemical interfaces as produced from well-controlled in situ slow reduction of nickel oxides. These results demonstrate technical feasibility of onsite purification of hydrogen prior to their practical applications such as fuels for fuel cell electric vehicles.

Protonic Ceramic Electrochemical Cell for Efficient Separation of Hydrogen.

ACS applied materials & interfaces

engineering

Coordination-driven self-assembly with controllable properties has attracted increasing interest because of its potential in biological events and material science. Herein, we report on the remote, instant, and switchable control of competitive coordination interactions via ultrasound and heat stimuli in a hydrogel network. Configurational coordination changes result in the transformation of blue-emissive and opaque Al 3+ -amide aggregations to yellow-green-emissive and transparent Al 3+ -terpyridine aggregations. Interestingly, circularly polarized luminescence "off-on" switches of the metallo-supramolecular assembly are also created by these configuration changes. Additionally, the impact of the stoichiometric ratio of Al 3+ and LysTPY on the assembly is also studied in detail. With a higher content of Al 3+ , the hydrogel with branched and abundant junctions exhibited robust, self-healing, and self-supporting properties. This in-depth understanding of the coordination interaction adjustment will afford new insights into the preparation of stimuli-responsive metallogels.

Switchable Supramolecular Configurations of Al3+/LysTPY Coordination Polymers in a Hydrogel Network Controlled by Ultrasound and Heat.

ACS applied materials & interfaces

engineering

Sulfide-type solid-state electrolytes for all-solid-state lithium ion batteries are capturing more and more attention. However, the electronegativity difference between the oxygen and the sulfur element makes sulfide-type solid-state electrolytes chemically incompatible with the conventional LiCoO 2 cathode. In this work, we proposed a series of chalcopyrite-structured sulfide-type materials and systematically assessed their performances as the cathode materials in all-solid-state lithium ion batteries by first-principle calculations. All the five metallic LiMS 2 (M = Cr, Mn, Fe, Co, and Ni) materials are superionic conductors with extremely small lithium ion migration barriers in the range from 43 to 99 meV, much lower than most oxide- and even sulfide-type cathodes. Voltage and volume calculations indicate that only LiCrS 2 and LiMnS 2 cathodes are structurally stable during cycling with the stable voltage plateaus at ∼3 V, much higher than that of the P3m1-LiTiS 2 cathode. For the first time, we studied the interfacial lithium transport resistance from a new perspective of charge transfer and redistribution at the electrode/solid-state electrolyte interface. LiCrS 2 and LiMnS 2 cathodes exhibit favorable interfacial compatibilities with Li 3 PS 4 electrolyte. Our investigations demonstrate that the metallic LiCrS 2 and LiMnS 2 superionic conductors would possess excellent rate capability, high energy density, good structural stability during cycling, and favorable interfacial compatibility with Li 3 PS 4 electrolyte in all-solid-state lithium ion batteries.

LiCrS2 and LiMnS2 Cathodes with Extraordinary Mixed Electron-Ion Conductivities and Favorable Interfacial Compatibilities with Sulfide Electrolyte.

ACS applied materials & interfaces

engineering

Due to its longevity and enormous information density, DNA is an attractive medium for archival storage. The current hamstring of DNA data storage systems-both in cost and speed-is synthesis. The key idea for breaking this bottleneck pursued in this work is to move beyond the low-error and expensive synthesis employed almost exclusively in today's systems, towards cheaper, potentially faster, but high-error synthesis technologies. Here, we demonstrate a DNA storage system that relies on massively parallel light-directed synthesis, which is considerably cheaper than conventional solid-phase synthesis. However, this technology has a high sequence error rate when optimized for speed. We demonstrate that even in this high-error regime, reliable storage of information is possible, by developing a pipeline of algorithms for encoding and reconstruction of the information. In our experiments, we store a file containing sheet music of Mozart, and show perfect data recovery from low synthesis fidelity DNA.

Low cost DNA data storage using photolithographic synthesis and advanced information reconstruction and error correction.

Nature communications

biology

The extent and importance of functional heterogeneity and crosstalk between tumor cells is poorly understood. Here, we describe the generation of clonal populations from a patient-derived ovarian clear cell carcinoma model which forms malignant ascites and solid peritoneal tumors upon intraperitoneal transplantation in mice. The clonal populations are engineered with secreted Gaussia luciferase to monitor tumor growth dynamics and tagged with a unique DNA barcode to track their fate in multiclonal mixtures during tumor progression. Only one clone, CL31, grows robustly, generating exclusively malignant ascites. However, multiclonal mixtures form large solid peritoneal metastases, populated almost entirely by CL31, suggesting that transient cooperative interclonal interactions are sufficient to promote metastasis of CL31. CL31 uniquely harbors ERBB2 amplification, and its acquired metastatic activity in clonal mixtures is dependent on transient exposure to amphiregulin, which is exclusively secreted by non-tumorigenic clones. Amphiregulin enhances CL31 mesothelial clearance, a prerequisite for metastasis. These findings demonstrate that transient, ostensibly innocuous tumor subpopulations can promote metastases via "hit-and-run" commensal interactions.

Transient commensal clonal interactions can drive tumor metastasis.

Nature communications

biology

It is increasingly clear that plants perceive and respond to olfactory cues. Yet, knowledge about the specificity and sensitivity of such perception remains limited. We previously documented priming of anti-herbivore defenses in tall goldenrod plants (Solidago altissima) by volatile emissions from a specialist herbivore, the goldenrod gall fly (Eurosta solidaginis). Here, we explore the specific chemical cues mediating this interaction. We report that E,S-conophthorin, the most abundant component of the emission of male flies, elicits a priming response equivalent to that observed for the overall blend. Furthermore, while the strength of priming is dose dependent, plants respond even to very low concentrations of E,S-conophthorin relative to typical fly emissions. Evaluation of other blend components yields results consistent with the hypothesis that priming in this interaction is mediated by a single compound. These findings provide insights into the perceptual capabilities underlying plant defense priming in response to olfactory cues.Plants are able to prime anti-herbivore defenses in response to olfactory cues of insect pests. Here, Helms et al. identify the insect pheromone E,S-conophthorin produced by the goldenrod gall fly as the specific chemical component that elicits this priming response in goldenrod plants.

Identification of an insect-produced olfactory cue that primes plant defenses.

Nature communications

biology

The emerging monolayer transition metal dichalcogenides have provided an unprecedented material platform for miniaturized opto-electronic devices with integrated functionalities. Although excitonic light-matter interactions associated with their direct bandgaps have received tremendous research efforts, wavefront engineering is less appreciated due to the suppressed phase accumulation effects resulting from the vanishingly small thicknesses. By introducing loss-assisted singular phase behaviour near the critical coupling point, we demonstrate that integration of monolayer MoS 2 on a planar ZnO/Si substrate, approaching the physical thickness limit of the material, enables a π phase jump. Moreover, highly dispersive extinctions of MoS 2 further empowers broadband phase regulation and enables binary phase-modulated supercritical lenses manifesting constant sub-diffraction-limited focal spots of 0.7 Airy units (AU) from the blue to yellow wavelength range. Our demonstrations downscaling optical elements to atomic thicknesses open new routes for ultra-compact opto-electronic systems harnessing two-dimensional semiconductor platforms with integrated functionalities.

π-phase modulated monolayer supercritical lens.

Nature communications

biology

Recently, metasurfaces have been proven to be effective and compact devices for the design of arbitrary wavefronts. Metasurfaces are planar metamaterials with a subwavelength thickness that allows wavefront shaping by introducing in-plane variations, namely, gradients, in the spatial wave response of these flat structures. Here we report a new class of acoustic gradient-index (GRIN) metasurfaces engineered from soft graded-porous silicone rubber with a high acoustic index for broadband ultrasonic three-dimensional wavefront shaping in water. The functionalities of these soft flat lenses are illustrated through various experiments, which demonstrate beam steering and beam focusing, as well as vortex beam generation in free space. These new GRIN metasurfaces may have important applications in various domains using designed ultrasonic fields (biomedical imaging, industrial non-destructive testing, contactless particle manipulation), since their fabrication is very straightforward with common polymer science engineering.

Flat acoustics with soft gradient-index metasurfaces.

Nature communications

biology