bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermodynamics and dielectric response of BaTiO3 by data-driven modeling
Authors: Gigli Lorenzo , Veit Max , Kotiuga Michele , Pizzi Giovanni , Marzari Nicola , Ceriotti Michele
Published: September 2022

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic equilibrium that drive the spontaneous symmetry breaking and the emergence of macroscopic polarization. We demonstrate the development and application of an integrated machine learning model that describes on the same footing structural, energetic, and functional properties of barium titanate (BaTiO3), a prototypical ferroelectric. The model uses ab initio calculations as a reference and achieves accurate yet inexpensive predictions of energy and polarization on time and length scales that are not accessible to direct ab initio modeling. These predictions allow us to assess the microscopic mechanism of the ferroelectric transition. The presence of an order-disorder transition for the Ti off-centered states is the main driver of the ferroelectric transition, even though the coupling between symmetry breaking and cell distortions determines the presence of intermediate, partly-ordered phases. Moreover, we thoroughly probe the static and dynamical behavior of BaTiO3 across its phase diagram without the need to introduce a coarse-grained description of the ferroelectric transition. Finally, we apply the polarization model to calculate the dielectric response properties of the material in a full ab initio manner, again reproducing the correct qualitative experimental behavior.
Estimation of lung age via a spline method and its application in chronic respiratory diseases
Authors: Liang Xiaolin , Xie Yanqing , Gao Yi , Zhou Yumin , Jian Wenhua , Jiang Mei , Wang Hongyu , Zheng Jinping
Published: September 2022

Lung age is a simplified concept that makes spirometry data easier to understand, but it is not widely used due to limitations in estimation methods. The aim of this study was to develop new equations to estimate lung age and to explore the application value of lung age in chronic respiratory diseases. Retrospective spirometric data of 18- to 80-year-old healthy subjects were used to develop the lung age estimation equations. Models were respectively built by multiple linear regression, piecewise linear regression, and the natural cubic spline method. Patients with chronic obstructive pulmonary disease (COPD) and asthma were subdivided into stages I–IV according to the severity of airflow limitation under the recommendation of the Global Initiative for Chronic Obstructive Lung Disease. Propensity score matching was performed to balance age, height and sex between healthy subjects and patients. The difference between lung age and chronological age (∆ lung age) of patients with COPD and asthma was analyzed. A total of 3409 healthy subjects, 280 patients with COPD and 285 patients with asthma data were included in the analysis. The lung age estimation equation with the best goodness of fit was built by the spline method and composed of FEV1, FEF50%, FEF75% and height as explanatory variables. ∆ lung age progressively increased with the degree of airflow limitation in patients with COPD or asthma. Lung age estimation equations were developed by a spline modeling method. Lung age may be used in the assessment of chronic respiratory patients.
Exosome biopotentiated hydrogel restores damaged skeletal muscle in a porcine model of stress urinary incontinence
Authors: Rolland Tyler J. , Peterson Timothy E. , Singh Raman Deep , Rizzo Skylar A. , Boroumand Soulmaz , Shi Ao , Witt Tyra A. , Nagel Mary , Kisby Cassandra K. , Park Sungjo , Rowe Lois A. , Paradise Christopher R. , Becher Laura R. E. , Paradise Brooke D. , Stalboerger Paul G. , Trabuco Emanuel C. , Behfar Atta
Published: September 2022

Urinary incontinence afflicts up to 40% of adult women in the United States. Stress urinary incontinence (SUI) accounts for approximately one-third of these cases, precipitating ~200,000 surgical procedures annually. Continence is maintained through the interplay of sub-urethral support and urethral sphincter coaptation, particularly during activities that increase intra-abdominal pressure. Currently, surgical correction of SUI focuses on the re-establishment of sub-urethral support. However, mesh-based repairs are associated with foreign body reactions and poor localized tissue healing, which leads to mesh exposure, prompting the pursuit of technologies that restore external urethral sphincter function and limit surgical risk. The present work utilizes a human platelet-derived CD41a and CD9 expressing extracellular vesicle product (PEP) enriched for NF-κB and PD-L1 and derived to ensure the preservation of lipid bilayer for enhanced stability and compatibility with hydrogel-based sustained delivery approaches. In vitro, the application of PEP to skeletal muscle satellite cells in vitro drove proliferation and differentiation in an NF-κB-dependent fashion, with full inhibition of impact on exposure to resveratrol. PEP biopotentiation of collagen-1 and fibrin glue hydrogel achieved sustained exosome release at 37 °C, creating an ultrastructural “bead on a string” pattern on scanning electron microscopy. Initial testing in a rodent model of latissimus dorsi injury documented activation of skeletal muscle proliferation of healing. In a porcine model of stress urinary incontinence, delivery of PEP-biopotentiated collagen-1 induced functional restoration of the external urethral sphincter. The histological evaluation found that sustained PEP release was associated with new skeletal muscle formation and polarization of local macrophages towards the regenerative M2 phenotype. The results provided herein serve as the first description of PEP-based biopotentiation of hydrogels implemented to restore skeletal muscle function and may serve as a promising approach for the nonsurgical management of SUI.
Spent media analysis suggests cultivated meat media will require species and cell type optimization
Authors: O’Neill Edward N. , Ansel Joshua C. , Kwong Grace A. , Plastino Michael E. , Nelson Jenny , Baar Keith , Block David E.
Published: September 2022

Cell culture media design is perhaps the most significant hurdle currently facing the commercialization of cultivated meat as an alternative source of dietary protein. Since media optimization for a specific culture system requires a significant amount of effort and investment, a major question remaining is whether media formulations can be easily shared across multiple production schemes for cells of different species and lineages. Here, we perform spent medium analysis to compare the specific nutrient utilization of primary embryonic chicken muscle precursor cells and fibroblasts to the murine C2C12 myoblast cell line. We demonstrate that these related cell types have significantly different nutrient utilization patterns collectively and on a per-cell basis, and that many components of conventional media do not appear to be depleted by the cells. Namely, glucose was not consumed as rapidly nor as completely by the chicken muscle precursors compared to other cells overall, and there were significant differences in specific consumption rates for several other key nutrients over the first day of culture. Ultimately, our results indicate that no one medium is likely ideal and cost effective to culture multiple cell types and that novel methods to streamline media optimization efforts will be important for the industry to develop.
New sustainable utilization approach of livestock manure: Conversion to dual-reaction-center Fenton-like catalyst for water purification
Authors: Sun Yingtao , Hu Chun , Lyu Lai
Published: September 2022

Rural pollution is largely caused by the accumulation of waste biomass, such as livestock manure and crop straw, which is extremely difficult to dispose of due to the simultaneous need to non-destructively treat metal and organic matter. Untreated fecal waste fluxes have contributed to more than 870,000 sanitation-related deaths annually worldwide. The existing disposal methods are accompanied by large amounts of energy and resource consumption and GHG emissions, which are not conducive to achieving the UN Sustainable Development Goals (SDGs). Herein, we pioneer a new approach to sustainable resource utilization by subjecting unprocessed livestock manure to a Dual-Reaction-Center (DRC) Fenton-like catalyst directly through the ordered bonding of intrinsic metal-organic species via an in situ 2-stage calcination-annealing process with zero emissions and zero pollution. The directional electron transfers along with the generated metal cation–π interactions during the resourcelized process led to the formation of electron-rich/-poor microregions. Through triggering by a small amount of hydrogen peroxide (H2O2), the removal of refractory pollutants reaches 100% within a very short time in this system, which also shows a long-term purification effect on actual wastewater, accompanied by the utilization of intrinsic energy from the pollutants and dissolved oxygen. This study is expected to advance the resource utilization of rural waste and the sustainable development of environmental factors.
Epigenetic plasticity enables copepods to cope with ocean acidification
Authors: Lee Young Hwan , Kim Min-Sub , Wang Minghua , Bhandari Ramji K. , Park Heum Gi , Wu Rudolf Shiu-Sun , Lee Jae-Seong
Published: September 2022

Plasticity enhances species fitness and survival under climate change. Ocean acidification poses a potential threat to copepods, a major zooplankton group that serves as a key link between the lower and higher trophic levels in the marine environment, yet the mechanisms underlying different adaptive responses remain poorly understood. Here we show that although elevated CO2can exert negative effects on reproduction ofParacyclopina nana, multigenerational plasticity can enable recovery after three generations. By integrating the methylome and transcriptome with the draft genome and undertaking DNA methylation treatments, we demonstrate the vital role of epigenetic modifications in ocean acidification responses and identify regions associated with reproductive resilience. Our results demonstrate that DNA methylation might play an important role in enhancing species fitness of copepods and that failing to consider phenotypic plasticity could lead to overestimation of species’ vulnerabilities.
Long-term evolution of ocean eddy activity in a warming world
Authors: Beech Nathan , Rackow Thomas , Semmler Tido , Danilov Sergey , Wang Qiang , Jung Thomas
Published: September 2022

Mesoscale ocean eddies, an important element of the climate system, impact ocean circulation, heat uptake, gas exchange, carbon sequestration and nutrient transport. Much of what is known about ongoing changes in ocean eddy activity is based on satellite altimetry; however, the length of the altimetry record is limited, making it difficult to distinguish anthropogenic change from natural variability. Using a climate model that exploits a variable-resolution unstructured mesh in the ocean component to enhance grid resolution in eddy-rich regions, we investigate the long-term response of ocean eddy activity to anthropogenic climate change. Eddy kinetic energy is projected to shift poleward in most eddy-rich regions, to intensify in the Kuroshio Current, Brazil and Malvinas currents and Antarctic Circumpolar Current and to decrease in the Gulf Stream. Modelled changes are linked to elements of the broader climate including Atlantic meridional overturning circulation decline, intensifying Agulhas leakage and shifting Southern Hemisphere westerlies.
Ecosystem productivity affected the spatiotemporal disappearance of Neanderthals in Iberia
Authors: Vidal-Cordasco M. , Ocio D. , Hickler T. , Marín-Arroyo A. B.
Published: September 2022

What role did fluctuations play in biomass availability for secondary consumers in the disappearance of Neanderthals and the survival of modern humans? To answer this, we quantify the effects of stadial and interstadial conditions on ecosystem productivity and human spatiotemporal distribution patterns during the Middle to Upper Palaeolithic transition (50,000–30,000 calibrated years before the present) in Iberia. First, we used summed probability distribution, optimal linear estimation and Bayesian age modelling to reconstruct an updated timescale for the transition. Next, we executed a generalized dynamic vegetation model to estimate the net primary productivity. Finally, we developed a macroecological model validated with present-day observations to calculate herbivore abundance. The results indicate that, in the Eurosiberian region, the disappearance of Neanderthal groups was contemporaneous with a significant decrease in the available biomass for secondary consumers, and the arrival of the first Homo sapiens populations coincided with an increase in herbivore carrying capacity. During stadials, the Mediterranean region had the most stable conditions and the highest biomass of medium and medium–large herbivores. These outcomes support an ecological cause for the hiatus between the Mousterian and Aurignacian technocomplexes in Northern Iberia and the longer persistence of Neanderthals in southern latitudes.
Divergent evolutionary trajectories of bryophytes and tracheophytes from a complex common ancestor of land plants
Authors: Harris Brogan J. , Clark James W. , Schrempf Dominik , Szöllősi Gergely J. , Donoghue Philip C. J. , Hetherington Alistair M. , Williams Tom A.
Published: September 2022

The origin of plants and their colonization of land fundamentally transformed the terrestrial environment. Here we elucidate the basis of this formative episode in Earth history through patterns of lineage, gene and genome evolution. We use new fossil calibrations, a relative clade age calibration (informed by horizontal gene transfer) and new phylogenomic methods for mapping gene family origins. Distinct rooting strategies resolve tracheophytes (vascular plants) and bryophytes (non-vascular plants) as monophyletic sister groups that diverged during the Cambrian, 515–494 million years ago. The embryophyte stem is characterized by a burst of gene innovation, while bryophytes subsequently experienced an equally dramatic episode of reductive genome evolution in which they lost genes associated with the elaboration of vasculature and the stomatal complex. Overall, our analyses reveal that extant tracheophytes and bryophytes are both highly derived from a more complex ancestral land plant. Understanding the origin of land plants requires tracing character evolution across a diversity of modern lineages.
Bacterial bioburden and community structure of potable water used in the International Space Station
Authors: Ichijo Tomoaki , Uchii Kimiko , Sekimoto Kazuma , Minakami Takashi , Sugita Takashi , Nasu Masao , Yamazaki Takashi
Published: September 2022

The control of microbes in manned spaceflight is essential to reducing the risk of infection and maintaining crew health. The primary issue is ensuring the safety of a potable water system, where simultaneous monitoring of microbial abundance and community structure is needed. In this paper, we develop a flow cytometry-based counting protocol targeting cellular flavin autofluorescence as a tool for rapid monitoring of bacterial cells in water. This was successfully applied to estimate the bacterial bioburden in the potable water collected from the International Space Station. We also demonstrate the efficacy of the MinION nanopore sequencer in rapidly characterizing bacterial community structure and identifying the dominant species. These monitoring protocols' rapidity and cost effectiveness would contribute to developing sustainable real-time surveillance of potable water in spaceflight.
Sampling rare conformational transitions with a quantum computer
Authors: Ghamari Danial , Hauke Philipp , Covino Roberto , Faccioli Pietro
Published: September 2022

Structural rearrangements play a central role in the organization and function of complex biomolecular systems. In principle, Molecular Dynamics (MD) simulations enable us to investigate these thermally activated processes with an atomic level of resolution. In practice, an exponentially large fraction of computational resources must be invested to simulate thermal fluctuations in metastable states. Path sampling methods focus the computational power on sampling the rare transitions between states. One of their outstanding limitations is to efficiently generate paths that visit significantly different regions of the conformational space. To overcome this issue, we introduce a new algorithm for MD simulations that integrates machine learning and quantum computing. First, using functional integral methods, we derive a rigorous low-resolution spatially coarse-grained representation of the system’s dynamics, based on a small set of molecular configurations explored with machine learning. Then, we use a quantum annealer to sample the transition paths of this low-resolution theory. We provide a proof-of-concept application by simulating a benchmark conformational transition with all-atom resolution on the D-Wave quantum computer. By exploiting the unique features of quantum annealing, we generate uncorrelated trajectories at every iteration, thus addressing one of the challenges of path sampling. Once larger quantum machines will be available, the interplay between quantum and classical resources may emerge as a new paradigm of high-performance scientific computing. In this work, we provide a platform to implement this integrated scheme in the field of molecular simulations.
Measuring sensitivity to social distancing behavior during the COVID-19 pandemic
Authors: Kontokosta Constantine E. , Hong Boyeong , Bonczak Bartosz J.
Published: September 2022

Social distancing remains an effective nonpharmaceutical behavioral interventions to limit the spread of COVID-19 and other airborne diseases, but monitoring and enforcement create nontrivial challenges. Several jurisdictions have turned to “311” resident complaint platforms to engage the public in reporting social distancing non-compliance, but differences in sensitivity to social distancing behaviors can lead to a mis-allocation of resources and increased health risks for vulnerable communities. Using hourly visit data to designated establishments and more than 71,000 social distancing complaints in New York City during the first wave of the pandemic, we develop a method, derived from the Weber-Fechner law, to quantify neighborhood sensitivity and assess how tolerance to social distancing infractions and complaint reporting behaviors vary with neighborhood characteristics. We find that sensitivity to non-compliance is lower in minority and low-income neighborhoods, as well as in lower density areas, resulting in fewer reported complaints than expected given measured levels of overcrowding.
Visualizing interface-specific chemical bonds in adhesive bonding of carbon fiber structural composites using soft X-ray microscopy
Authors: Yamane Hiroyuki , Oura Masaki , Yamazaki Noriko , Ishihara Tomoko , Hasegawa Koichi , Ishikawa Tetsuya , Takagi Kiyoka , Hatsui Takaki
Published: September 2022

Adhesion is a technology for assembling carbon fiber (CF) reinforced polymer (CFRP), enabling them to maintain their lightweight and high-stiffness properties. Despite the importance of adhesion, the lack of a molecular-level understanding of the adhesion mechanisms has limited the reliability of adhesion for use in next-generation aircraft and automobiles. Here, we focused on the chemical-state distribution at a practical adhesive interface composed of an epoxy-based adhesive film bonded to an epoxy-based CF matrix. By fluorinating the OH group, we succeeded in visualizing the chemical state at the CF-matrix/adhesive interface using soft X-ray microscopy. The soft X-ray images exhibited a decrease in OH-related signals at the interface due to the local chemical interaction at the epoxy-epoxy adhesive interface. We also found that the N and O Kα signals were observable at the CF's surface, indicating the presence of nitrogen- and oxygen-containing functional groups. Based on these observations, we discuss the molecular-level adhesion mechanism at the CF-matrix/adhesive interface.
Time series reconstructing using calibrated reservoir computing
Authors: Chen Yeyuge , Qian Yu , Cui Xiaohua
Published: September 2022

Reservoir computing, a new method of machine learning, has recently been used to predict the state evolution of various chaotic dynamic systems. It has significant advantages in terms of training cost and adjusted parameters; however, the prediction length is limited. For classic reservoir computing, the prediction length can only reach five to six Lyapunov times. Here, we modified the method of reservoir computing by adding feedback, continuous or discrete, to “calibrate” the input of the reservoir and then reconstruct the entire dynamic systems. The reconstruction length appreciably increased and the training length obviously decreased. The reconstructing of dynamical systems is studied in detail under this method. The reconstruction can be significantly improved both in length and accuracy. Additionally, we summarized the effect of different kinds of input feedback. The more it interacts with others in dynamical equations, the better the reconstructions. Nonlinear terms can reveal more information than linear terms once the interaction terms are equal. This method has proven effective via several classical chaotic systems. It can be superior to traditional reservoir computing in reconstruction, provides new hints in computing promotion, and may be used in some real applications.
Changes in nanomechanical properties of single neuroblastoma cells as a model for oxygen and glucose deprivation (OGD)
Authors: Zieliński Tomasz , Pabijan Joanna , Zapotoczny Bartłomiej , Zemła Joanna , Wesołowska Julita , Pera Joanna , Lekka Małgorzata
Published: September 2022

Although complex, the biological processes underlying ischemic stroke are better known than those related to biomechanical alterations of single cells. Mechanisms of biomechanical changes and their relations to the molecular processes are crucial for understanding the function and dysfunction of the brain. In our study, we applied atomic force microscopy (AFM) to quantify the alterations in biomechanical properties in neuroblastoma SH-SY5Y cells subjected to oxygen and glucose deprivation (OGD) and reoxygenation (RO). Obtained results reveal several characteristics. Cell viability remained at the same level, regardless of the OGD and RO conditions, but, in parallel, the metabolic activity of cells decreased with OGD duration. 24 h RO did not recover the metabolic activity fully. Cells subjected to OGD appeared softer than control cells. Cell softening was strongly present in cells after 1 h of OGD and with longer OGD duration, and in RO conditions, cells recovered their mechanical properties. Changes in the nanomechanical properties of cells were attributed to the remodelling of actin filaments, which was related to cofilin-based regulation and impaired metabolic activity of cells. The presented study shows the importance of nanomechanics in research on ischemic-related pathological processes such as stroke.
DNA methylation landscapes from pig’s limbic structures underline regulatory mechanisms relevant for brain plasticity
Authors: Perdomo-Sabogal Alvaro , Trakooljul Nares , Hadlich Frieder , Murani Eduard , Wimmers Klaus , Ponsuksili Siriluck
Published: September 2022

Epigenetic dynamics are essential for reconciling stress-induced responses in neuro-endocrine routes between the limbic brain and adrenal gland. CpG methylation associates with the initiation and end of regulatory mechanisms underlying responses critical for survival, and learning. Using Reduced Representation Bisulfite Sequencing, we identified methylation changes of functional relevance for mediating tissue-specific responses in the hippocampus, amygdala, hypothalamus, and adrenal gland in pigs. We identified 4186 differentially methylated CpGs across all tissues, remarkably, enriched for promoters of transcription factors (TFs) of the homeo domain and zinc finger classes. We also detected 5190 differentially methylated regions (DMRs, 748 Mb), with about half unique to a single pairwise. Two structures, the hypothalamus and the hippocampus, displayed 860 unique brain-DMRs, with many linked to regulation of chromatin, nervous development, neurogenesis, and cell-to-cell communication. TF binding motifs for TFAP2A and TFAP2C are enriched amount DMRs on promoters of other TFs, suggesting their role as master regulators, especially for pathways essential in long-term brain plasticity, memory, and stress responses. Our results reveal sets of TF that, together with CpG methylation, may serve as regulatory switches to modulate limbic brain plasticity and brain-specific molecular genetics in pigs.
Dichloroacetate as a metabolic modulator of heart mitochondrial proteome under conditions of reduced oxygen utilization
Authors: Andelova Natalia , Waczulikova Iveta , Kunstek Lukas , Talian Ivan , Ravingerova Tanya , Jasova Magdalena , Suty Simon , Ferko Miroslav
Published: September 2022

Myocardial compensatory mechanisms stimulated by reduced oxygen utilization caused by streptozotocin-induced diabetes mellitus (DM) and treated with dichloroacetate (DCA) are presumably associated with the regulation of mitochondria. We aimed to promote the understanding of key signaling pathways and identify effectors involved in signal transduction. Proteomic analysis and fluorescence spectroscopy measurements revealed significantly decreased membrane potential and upregulated protein amine oxidase [flavin-containing] A (AOFA) in DM mitochondria, indicative of oxidative damage. DCA in diabetic animals (DM + DCA) downregulated AOFA, increased membrane potential, and stimulated thioredoxin-dependent peroxide reductase, a protein with antioxidant function. Furthermore, the DM condition was associated with mitochondrial resistance to calcium overload through mitochondrial permeability transition pores (mPTPs) regulation, despite an increased protein level of voltage-dependent anion-selective protein (VDAC1). In contrast, DM + DCA influenced ROS levels and downregulated VDAC1 and VDAC3 when compared to DM alone. The diabetic myocardium showed an identical pattern of mPTP protein interactions as in the control group, but the interactions were attenuated. Characterization of the combined effect of DM + DCA is a novel finding showing that DCA acted as an effector of VDAC protein interactions, calcium uptake regulation, and ROS production. Overall, DM and DCA did not exhibit an additive effect, but an individual cardioprotective pathway.
Establishing farm dust as a useful viral metagenomic surveillance matrix
Authors: Kwok Kirsty T. T. , de Rooij Myrna M. T. , Messink Aniek B. , Wouters Inge M. , Smit Lidwien A. M. , Cotten Matthew , Heederik Dick J. J. , Koopmans Marion P. G. , Phan My V. T.
Published: September 2022

Farm animals may harbor viral pathogens, some with zoonotic potential which can possibly cause severe clinical outcomes in animals and humans. Documenting the viral content of dust may provide information on the potential sources and movement of viruses. Here, we describe a dust sequencing strategy that provides detailed viral sequence characterization from farm dust samples and use this method to document the virus communities from chicken farm dust samples and paired feces collected from the same broiler farms in the Netherlands. From the sequencing data, Parvoviridae and Picornaviridae were the most frequently found virus families, detected in 85–100% of all fecal and dust samples with a large genomic diversity identified from the Picornaviridae. Sequences from the Caliciviridae and Astroviridae familes were also obtained. This study provides a unique characterization of virus communities in farmed chickens and paired farm dust samples and our sequencing methodology enabled the recovery of viral genome sequences from farm dust, providing important tracking details for virus movement between livestock animals and their farm environment. This study serves as a proof of concept supporting dust sampling to be used in viral metagenomic surveillance.
Seroepidemiological study of factors affecting anti-spike IgG antibody titers after a two-dose mRNA COVID-19 vaccination in 3744 healthy Japanese volunteers
Authors: Sugiyama Aya , Kurisu Akemi , Nagashima Shintaro , Hando Kiyomi , Saipova Khilola , Akhmedova Sayyora , Abe Kanon , Imada Hirohito , Hussain Md Razeen Ashraf , Ouoba Serge , E Bunthen , Ko Ko , Akita Tomoyuki , Yamazaki Shinichi , Yokozaki Michiya , Tanaka Junko
Published: September 2022

Several factors related to anti-spike(S) IgG antibody titers after mRNA COVID-19 vaccination have been elucidated, but the magnitude of the effects of each factor has not been fully understood. This cross-sectional study assessed anti-S and anti-nucleocapsid (N) antibody titers on 3744 healthy volunteers (median age, 36 years; IQR, 24–49 years; females, 59.0%) who received two doses of mRNA-1273 or BNT162b2 vaccine and completed a survey questionnaire. Multiple regression was conducted to identify factors associated with antibody titers. All but one participant tested positive for anti-S antibodies (99.97%). The following factors were independently and significantly associated with high antibody titer: < 3 months from vaccination (ratio of means 4.41); mRNA-1273 vaccine (1.90, vs BNT162b2); anti-N antibody positivity (1.62); age (10’s: 1.50, 20’s: 1.37, 30’s: 1.26, 40’s: 1.16, 50’s: 1.15, vs ≧60’s); female (1.07); immunosuppressive therapy (0.54); current smoking (0.85); and current drinking (0.96). The largest impact on anti-S IgG antibody titers was found in elapsed time after vaccination, followed by vaccine brand, immunosuppressants, previous SARS-CoV-2 infection (anti-N antibody positive), and age. Although the influence of adverse reactions after the vaccine, gender, smoking, and drinking was relatively small, they were independently related factors.
Validation of the application of gel beads-based single-cell genome sequencing platform to soil and seawater
Authors: Nishikawa Yohei , Kogawa Masato , Hosokawa Masahito , Wagatsuma Ryota , Mineta Katsuhiko , Takahashi Kai , Ide Keigo , Yura Kei , Behzad Hayedeh , Gojobori Takashi , Takeyama Haruko
Published: September 2022

Single-cell genomics is applied to environmental samples as a method to solve the problems of current metagenomics. However, in the fluorescence-activated cell sorting-based cell isolation and subsequent whole genome amplification, the sorting efficiency and the sequence quality are greatly affected by the type of target environment, limiting its adaptability. Here, we developed an improved single-cell genomics platform, named SAG-gel, which utilizes gel beads for single-cell isolation, lysis, and whole genome amplification. To validate the versatility of SAG-gel, single-cell genome sequencing was performed with model bacteria and microbial samples collected from eight environmental sites, including soil and seawater. Gel beads enabled multiple lysis treatments. The genome coverage with model bacteria was improved by 9.1–25%. A total of 734 single amplified genomes were collected from the diverse environmental samples, and almost full-length 16S rRNA genes were recovered from 57.8% of them. We also revealed two marine Rhodobacter strains harboring nearly identical 16S rRNA genes but having different genome contents. In addition, searching for viral sequences elucidated the virus-host linkage over the sampling sites, revealing the geographic distribution and diverse host range of viruses.
Heterogeneous ethylene hydroformylation on polymer supported Rh-based catalysts: a DFT analysis of the mechanism and Rh–P effect
Authors: Ma Jing , Liu Meizhe , Zhu Mingxuan , Wang Yutong , Zhou Yamei , Wang Baohe
Published: September 2022

Heterogeneous reaction mechanism of ethylene hydroformylation.
Promotional effect of indium on CuO–CeO2 catalysts for low-temperature CO oxidation
Authors: Li Hu , Tian Fei-Xiang , Liu Qi , Han Yi-Fan , Zhu Minghui
Published: September 2022

The catalytic activity of Cu/Ce90In10Ox for CO oxidation is notably enhanced by the doping of In, and its TOF is 1.19 times that of Cu/Ce100In0Ox without H2O and 3.13 times that of Cu/Ce100In0Ox with 3 vol% H2O.
Gut microbiota derived structural changes of phenolic compounds from colored rice and its corresponding fermentation property
Authors: Jia Meng , Li Dengdeng , Wang Rui , Wang Anqi , Strappe Padraig , Wu Qinghai , Shang Wenting , Wang Xuanyu , Zhuang Min , Blanchard Chris , Zhou Zhongkai
Published: September 2022

The influence of phenolic compound extracts from three colored rice cultivars on the gut microbiota was investigated.
Preparation of nanoliposomes loaded with anthocyanins from grape skin extracts: stability, gastric absorption and antiproliferative properties
Authors: Zhang Rui , Zhang Qian , Oliveira Hélder , Mateus Nuno , Ye Shuxin , Jiang Sijia , He Jingren , Wu Muci
Published: September 2022

Anthocyanin nanoliposomes (ANLs) were produced by a thin film ultrasonic dispersion method to improve the stability and bioavailability of anthocyanins (ACNs) obtained from grape skin extracts.
Efficient selective targeting of Candida CYP51 by oxadiazole derivatives designed from plant cuminaldehyde
Authors: Hamdy Rania , Hamoda Alshaimaa M. , Al-Khalifa Mariam , Menon Varsha , El-Awady Raafat , Soliman Sameh S. M.
Published: September 2022

Effective targeting of Candida CYP51 enzyme by oxadiazole derivatives following iterated lead optimization using plant cuminaldehyde as a scaffold.
Non-contact friction energy dissipation via hysteretic behavior on a graphite surface
Authors: Wang Chong , Liu Huixian , Wang Jiangcai , Han Yishu , Sun Zejun , Xu Haowen , Liu Huan , Liu Dameng , Luo Jianbin
Published: September 2022

The non-contact friction energy dissipation peak on a graphite surface detected by quartz tuning fork.
Effects of the reaction temperature and Ba/Ti precursor ratio on the crystallite size of BaTiO3 in hydrothermal synthesis
Authors: Zhang Min , Falvey Joseph , Hector Andrew L. , Garcia-Araez Nuria
Published: September 2022

Nanocrystalline BaTiO3 has been prepared via a hydrothermal synthesis. Reaction conditions including synthesis temperature and Ba/Ti precursor ratio/concentration have been systematically explored to produce small crystallites of phase-pure BaTiO3.
Combining multiple acquisition modes and computational data annotation for structural characterization in traditional Chinese medicine: Miao Nationality medicine Qijiao Shengbai Capsule as a case study
Authors: Ma Chi , Zhang Yuhao , Dou Xiuxiu , Liu Li , Zhang Weidong , Ye Ji
Published: September 2022

Qijiao Shengbai Capsule (QSC) is a reputable Miao Nationality medicine used for treating leukopenia, but its chemical composition has not yet been elucidated.
Photo-enhanced growth of lead halide perovskite crystals and their electro-optical properties
Authors: Wang Shiwei , Wang Yixuan , Wei Qi , Wang Junling
Published: September 2022

Organic–inorganic hybrid perovskites have attracted much attention for opto-electronic applications due to their low trap density, strong light absorption, and superior charge transport performance.
Correction: Effects of the support on bifunctional one-step synthesis of methylal via methanol oxidation catalysed by Fe–Mo-based bifunctional catalysts
Authors: Yuan Meng , Tang Ruiyuan , Sun Xiangyu , Zhang Zhimei , Tian Yuanyu , Qiao Yingyun
Published: September 2022

Correction for ‘Effects of the support on bifunctional one-step synthesis of methylal via methanol oxidation catalysed by Fe–Mo-based bifunctional catalysts’ by Meng Yuan et al., Sustainable Energy Fuels, 2021, 5, 246–260, https://doi.org/10.1039/D0SE01194K.
Ag, Ti dual-cation substitution in Cu2ZnSn(S,Se)4 induced growth promotion and defect suppression for high-efficiency solar cells
Authors: Chen Xing-Ye , Ishaq Muhammad , Ahmad Nafees , Tang Rong , Zheng Zhuang-Hao , Hu Ju-Guang , Su Zheng-Hua , Fan Ping , Liang Guang-Xing , Chen Shuo
Published: September 2022

A dual-cation-substituted Cu2ZnSn(S,Se)4 involving Ag and Ti to separately occupy partial Cu and Sn is developed. Such a new strategy can simultaneously promote crystal growth and suppress detrimental defects, leading to a high efficiency of 12.73%.
Enabling highly stable lithium metal batteries by using dual-function additive catalyzed in-built quasi-solid-state polymer electrolytes
Authors: Li Zhenchao , Tang Wenhao , Deng Yirui , Zhou Miaomiao , Wang Xiaodong , Liu Ruiping , Wang Chang-an
Published: September 2022

Multifunctional Mg(OTf)2 can catalyze the in situ polymerization of DOL and promote the stable cycling performance of Lithium metal batteries.
Ultrathin ZIS nanosheets encapsulated in metal–organic-framework-derived CNCo-Fe3O4 as an efficient functional photocatalyst for hydrogen evolution
Authors: Luo Huihua , Yu Lianqing , Xue Kehui , Zhu Haifeng , Zhang Yaping
Published: September 2022

The reported CNCo-Fe3O4/ZIS heterojunction catalysts exhibit excellent photocatalytic water splitting and long-term stability under visible-light irradiation, indicating their great potential in improvement of the greenhouse effect.
Metal-doping of halide perovskite nanocrystals for energy and environmental photocatalysis: challenges and prospects
Authors: Zhong Fengyi , He Ye , Sun Yanjuan , Dong Fan , Sheng Jianping
Published: September 2022

This review summarized the characteristics of halide perovskite nanocrystals in photocatalytic applications. Critical insights are also provided into the existing challenges and prospects for these photocatalysts in photocatalytic applications.
Piezoelectric nanogenerator induced work function on a metal phenolic coordination framework from copper oxide nanospheres for efficient biomechanical energy harvesting and physiological monitoring
Authors: Ravikumar Ayyanu , Natraj Vishal , Sivalingam Yuvaraj , Surya Velappa Jayaraman , Zheng Fengjiao , Wang Huijun , Du Qingfeng , Liu Nan
Published: September 2022

Metal phenolic coordination frameworks (MPCFs) exhibiting a relatively large surface area tend to serve as excellent fillers to stabilize the electroactive beta phase of PVDF by enhancing the electrical dipole moment via large interfacial polarization.
Crystal structure dependence of the microstructure and microwave dielectric properties of (SrxCa1−x)(Zr0.95Ti0.05)O3 (0 ≤ x ≤ 1) perovskite ceramics
Authors: Pang Qingyang , Yang Fan , Huang Wei , Li Xin , Cheng Huarong , Sun Shuying , Chen Ying , Wang Genshui
Published: September 2022

The reconstructed superlattice structure is driven by the interface strain near the coherent phase interface, which reduces the intrinsic loss of ceramics.
Transition metal quantum dots for the electrocatalytic hydrogen evolution reaction: recent progresses and challenges
Authors: Honnappa Brahmari , Mohan Sathya , Shanmugam Mariyappan , Augustin Ashil , Sagayaraj Prince J. J. , Chuaicham Chitiphon , Rajendran Saravanan , Hoang Tuan K. A. , Sasaki Keiko , Sekar Karthikeyan
Published: September 2022

Transition metal quantum dots composites for an electrocatalytic hydrogen evolution reaction.
Kreativer Zugang zur Betätigungsgeschichte – Tree Theme Method
Authors: Kranz Florence
Published: September 2022

Kreative Aktivitäten gehören nach wie vor zu den häufigsten Interventionen in der psychosozialen Ergotherapie. Oftmals mangelt es ihnen aber an Evidenz, mitunter fehlt auch der Bezug zum Betätigungsleben der Klient*innen. Das änderte die schwedische Ergotherapeutin Brigitta Gunnarsson mit ihrer „Tree Theme Method®“. Die damit gestalteten Bäume versinnbildlichen das Betätigungsleben.
Early MRI for Pediatric Wrist Injuries—Prospective Case Series of 150 Cases
Authors: Courcey Cynthia de , Jester Andrea , Kaur Sarbjit , Lindau Tommy R. , Oestreich Kerstin
Published: September 2022

Background Pediatric carpal injuries are a clinical challenge due to their non-specific clinical features and occult nature on plain radiography. We hypothesized that early magnetic resonance imaging (MRI) will allow prompt diagnosis and treatment stratification, and that distal pole fracture of the scaphoid requires a shorter duration of immobilization. This study aims to assess the injury pattern and clinical outcomes of under-16-year-olds treated with acute post-traumatic wrist injuries in accordance with the unit's protocol.

Methods All patients under the age of 16 years treated for suspected pediatric wrist injuries in our tertiary pediatric hand and upper limb service were included. Prospectively collected data included patient demographics, radiological findings, treatment and adherence to the unit's protocol.

Results There were 151 patients with a mean age of 12 years. The majority (72%) had occult bony injury with radiological evidence of fracture on MRI. The sensitivity and specificity of plain film radiography were 42.7% and 71.4%, respectively. Almost one in four patients benefitted from early MRI demonstrating no injuries, permitting early mobilization and discharge. The scaphoid was the most commonly injured carpal bone. Non-displaced fractures of the distal pole of the scaphoid in patients over 10 years old were treated with 4 weeks' immobilization with no adverse outcome.

Conclusion Standardized care in our unit has yielded good results with low complication rate and fewer hospital appointments. Our results support the routine early use of MRI and a shorter duration of immobilization in fracture of the distal pole of the scaphoid at 4 weeks.

Level of Evidence This is a level IV, case series study.
Is Vitamin D Deficiency Prothrombotic? A Systematic Review
Authors: Rüdiger Isabella Hangaard , Andersen Matilde Kanstrup , Vestergaard Anna Louise , Bor Pinar , Larsen Agnete , Bor Mustafa Vakur
Published: September 2022

Observational studies indicate a relationship between vitamin D deficiency and an increased risk of venous and arterial thrombotic events, but the underlying mechanisms behind this association are uncertain. This systematic review explores if there is an association between decreased vitamin D levels and a prothrombotic profile. The systematic literature search initially identified 3,214 studies (published until December 21, 2021) investigating the relationship between vitamin D and numerous hemostatic parameters. After the screening process, 18 observational and intervention studies fulfilled the inclusion criteria and were included in this systematic review. Parameters of primary hemostasis, secondary hemostasis, and fibrinolysis were investigated in six, thirteen, and fifteen of these studies, respectively. Most of the eligible studies did not identify significant associations between decreased vitamin D levels and hemostatic parameters. Some conflicting results were found between decreased vitamin D levels and thrombin generation parameters and the tissue factor pathway inhibitor. Conflicting results were also found between decreased vitamin D levels and fibrinolytic parameters, although the evidence may point toward weak associations with some regulators of fibrinolysis, mostly decreased tissue type plasminogen activator. Overall, our systematic review did not identify any definitive link between vitamin D deficiency and a prothrombotic profile, which might otherwise help explain the observed association between vitamin D deficiency and increased risk of thrombotic events. Moreover, there is no clinical evidence to confirm or refute a possible antithrombotic effect of vitamin D. Larger high-quality randomized controlled trials are needed to better elucidate the link between vitamin D deficiency and a prothrombotic risk profile.
The Pathophysiological Role of Platelet-Derived Extracellular Vesicles
Authors: Mabrouk Meryem , Guessous Fadila , Naya Abdallah , Merhi Yahye , Zaid Younes
Published: September 2022

Platelets are very abundant in the blood, where they play a role in hemostasis, inflammation, and immunity. When activated, platelets undergo a conformational change that allows the release of numerous effector molecules as well as the production of extracellular vesicles, which are circulating submicron vesicles (10 to 1,000 nm in diameter) released into the extracellular space. Extracellular vesicles are formed by the budding of platelet and they carry some of its contents, including nucleic acids, surface proteins, and organelles. While platelets cannot cross tissue barriers, platelet-derived extracellular vesicles can enter the lymph, bone marrow, and synovial fluid. This allows the transfer of diverse contents carried by these platelet-derived vesicles to cell recipients and organs inaccessible to platelets where they can perform many functions. This review highlights the importance of these platelet-derived extracellular vesicles under different physiological and pathophysiological conditions.
An Infant with Persistent Respiratory Failure Associated with Refractory Pulmonary Hypertension: Pulmonary Interstitial Glycogenosis
Authors: Tomarelli Gianfranco , Donoso Alejandro , Andrades Francisca , Montes Soledad
Published: September 2022

Pulmonary interstitial glycogenosis (PIG) is a disease of unknown etiology. It is part of the interstitial lung diseases, corresponding to the compartment of the fetal pulmonary interstitium. It typically presents within the first week of life as refractory respiratory distress with tachypnea and persistent hypoxemia, and it is not associated with glycogen deposition in other organs. Usually, there is a clinical improvement and good prognosis after steroid therapy unless there are associated conditions such as congenital heart disease, pulmonary hypertension, or genetic disorders. We report a case diagnosed by lung biopsy at 4 months of age in a male preterm born, small for gestational age infant, who developed refractory hypoxemia and pulmonary hypertension with fatal outcome. There was no response to steroids and hydroxychloroquine. He was not candidate for extracorporeal membrane oxygenation. PIG should be considered in the differential diagnosis of persistent respiratory distress and hypoxemia despite standard treatment, even after the first month of life.
Outcome of Pediatric Anti-N-Methyl-D-Aspartate (NMDA) Receptor Encephalitis in Rural Area of Thailand
Authors: Saengow Vitchayaporn Emarach , Bhudhisawasdi Kasama
Published: September 2022

Anti-N-methyl-d-aspartate receptor (NMDAR) encephalitis has a very good outcome; however, there are few reports in developing countries regarding the outcome of pediatric anti-NMDAR encephalitis. We aimed to report the clinical outcome of pediatric anti-NMDAR encephalitis in the rural area of Thailand. This retrospective cohort study recruited children between the age of 1 month and 15 years with the diagnosis of anti-NMDAR encephalitis admitted at Maharat Nakhon Ratchasima Hospital from 1st May 2015 to 31th March 2020. Baseline characteristics and investigation were recorded. The first-line treatment was intravenous pulse methylprednisolone alone, pulse methylprednisolone plus intravenous immune globulin (IVIG), or IVIG alone. The second-line treatment was monthly intravenous cyclophosphamide or azathioprine. The modified Rankin Scale (MRS) was used for evaluation at 1, 3, 6, 12, 18, and 24 months after receiving first-line treatment to determine clinical outcomes. The factors that may affect the outcomes were evaluated. In total, 17 patients were recruited, with the mean age of 8 years, and 76.46% were female. 82.35% of patients developed seizures, and 52.94% turned to status epilepticus. 70.59% received first-line treatment as pulse methylprednisolone plus IVIG. 82.35% received complete follow-up at 12 months. According to MRS score, at first diagnosis 94.12% reported severe disability, at 1 month after receiving treatment, 47.06% improved to moderate–mild disability, and at 6 and 12 months, 40% and 78.57% had complete recovery, respectively. Different types of first-line and second-line treatments did not affect the clinical outcome. Comorbidity of status epilepticus affected MRS. Anti-NMDAR encephalitis has a very good prognosis; prompt diagnosis is necessary. Comorbidity as status epilepticus may affect the clinical outcome.