bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rapid Estimation of Membrane Protein Orientation in Liposomes
Authors: Deutschmann Sabina , Rimle Lukas , von Ballmoos Christoph 
Published: November 2021

AbstractThe topological organization of proteins embedded in biological membranes is crucial for the tight interplay between these enzymes and their accessibility to substrates in order to fulfil enzymatic activity. The orientation of a membrane protein reconstituted in artificial membranes depends on many parameters and is hardly predictable. Here, we present a convenient approach to assess this important property independent of the enzymatic activity of the reconstituted protein. Based on cysteine‐specific chemical modification of a target membrane protein with a cyanine fluorophore and a corresponding membrane‐impermeable fluorescence quencher, the novel strategy allows rapid evaluation of the distribution of the two orientations after reconstitution. The assay has been tested for the respiratory complexes bo3 oxidase and ATP synthase of Escherichia coli and the results agree well with other orientation determination approaches. Given the simple procedure, the proposed method is a powerful tool for optimization of reconstitution conditions or quantitative orientation information prior to functional measurements.
Organosilica Nanoparticles with Ordered Trimodal Porosity and Selectively Functionalized Mesopores
Authors: Timm Jana , Marschall Roland 
Published: November 2021

AbstractSelective functionalization of hierarchical porous materials is of outmost importance for many different applications. A major problem of the functionalization arises from the functionalization process itself. A novel gas phase functionalization was used to modify the surface of newly developed inorganic‐organic hybrid nanomaterials with hierarchical trimodal porosity, using 3‐mercaptopropyltrimethoxysilane (MPTMS). It was found that the functionalization of mesopores of the material is possible, while the micropores of the material stay selectively non‐functionalized after oxidation. Interestingly, the initial mesopores of the material are selectively modified, up to a degree that can be reached usually only by co‐condensation approaches, which are however difficult to perform on PMO‐derived porous materials.
Dimensional Reduction ofEu‐Based Metal‐OrganicFramework as Catalysts for Oxidation Catalysis of C(sp3)–H Bond
Authors: Zhang Yin , Yu Wei‐Dong , Zhao Cai‐Feng , Yan Jun 
Published: November 2021

Comprehensive SummaryDeveloping new catalysts for highly selectivity and conversion of saturated C(sp3)–H bonds is of great significance. In order to obtain catalysts with high catalytic performance, six Eu‐based MOFs with different structural characteristics were obtained by using europium ions and different organic acid ligands, namelyEu‐1~Eu‐6.Eu‐1,Eu‐2andEu‐3featured three‐dimensional structures, whileEu‐4andEu‐5featured two‐dimensional structures. Differently, a one‐dimensional chain structure ofEu‐6was obtained by changing the ligand. All the six MOFs were applied to the catalytic reaction of C(sp3)–H bond, and it was found that the catalytic effect was gradually enhanced with the decrease of dimension and the increase of the size of channels. As expected,Eu‐6showed the highest selectivity (~99%) and conversion (~99%). Moreover, catalytic cycling and stability tests showedEu‐6can be a reliable catalyst.
Fluorescence Sensing of Glutathione Thiyl Radical by BODIPY‐Modified β‐Cyclodextrin
Authors: Liu Zhixue , Dai Xianyin , Xu Qiaoyan , Sun Xiaohan , Liu Yu 
Published: November 2021

Comprehensive SummaryThe fluorescence sensing of intracellular glutathione thiyl radical (GS•) is in great demand to seek the GS•‐related pathophysiological events. Herein, boron−dipyrromethene (BODIPY)‐modified β‐cyclodextrin was developed for high‐efficiency sensing of GS•, accompanied by a fast response time (t1/2 = 218 s), with the detection limit of 468 nmol/L. Cell experiments indicated that the BODIPY‐ modified β‐cyclodextrin could be applied to detect the GS• in live A549 cells.
Verifying multiple replica possession with public key segment under public cloud storage environment
Authors: Fu Wei , Xie Zhenjie , Xu Jianqiao 
Published: November 2021

AbstractReplication is widely used in cloud storage systems to provide availability and reliability for outsourced cloud data. However, untrusted providers would like to maintain fewer replicas than promise for economic profits or other benefits. Since providers hardly ever offer remote checking tools, it becomes a challenge to validate from user side whether Providers are faithfully keeping enough replicas or not. Existing solutions have several disadvantages, including low efficiency, high computation overload, and lack of supporting for colluding attack. In this article, a collector‐based multiple replica storage model is introduced. Based on that, a novel multiple replica possession proving scheme public key segment is proposed in detail. Particularly, a public key is divided into several private segments, which will be distributed to corresponding storage servers for evidence generation. Only if every replica node shows its correct possession evidence, can the challenge be concluded as success. Theoretical analysis and prototype experiments show the correctness, security, and efficiency of the scheme.
To Be or Not To Be? that is the Entropic, Enthalpic, and Molecular Interaction Dilemma in the Formation of (Water)20Clusters and Methane Clathrate
Authors: Flórez Elizabeth , Acelas Nancy , Gómez Sara , Hadad Cacier , Restrepo Albeiro 
Published: November 2021

AbstractA detailed analysis under a comprehensive set of theoretical and computational tools of the thermodynamical factors and of the intermolecular interactions behind the stabilization of a well known set of (water)20cavities and of the methane clathrate is offered in this work. Beyond the available reports of experimental characterization at extreme conditions of most of the systems studied here, all clusters should be amenable to experimental detection at 1 atm and moderate temperatures since 280 K marks the boundary at which, ignoring reaction paths, formation of all clusters is no longer spontaneous from the 20H2O→(H2O)20and CH4+20H2O→CH4@512processes. As a function of temperature, a complex interplay leading to the free energy of formation occurs between the destabilizing entropic contributions, mostly due to cluster vibrations, and the stabilizing enthalpic contributions, due to intermolecular interactions and thePVterm, is best illustrated by the highly symmetric 512cage consistently showing signs of stronger intermolecular bonding despite having smaller binding energy than the other clusters. A fluxional wall of attractive non‐covalent interactions, arising because of the cumulative effect of a large number of tiny individual charge transfers to the interstitial region, plays a pivotal role stabilizing the CH4@512clathrate.
The Persian COVID‐19 Anxiety Syndrome Scale (C‐19ASS): Psychometric properties in a general community sample of Iranians
Authors: Akbari Mehdi , Seydavi Mohammad , Zamani Elahe , Nikčević Ana V. , Spada Marcantonio M. 
Published: November 2021

AbstractThere is a potential for a long‐lasting psychological and social impact from the COVID‐19 pandemic. Recently, the COVID‐19 Anxiety Syndrome Scale (C19‐ASS) has been developed, which measures individuals' coping mechanisms in relation to the fear or threat of COVID‐19. The C19‐ASS was developed and has been used so far only in Western samples. Further psychometric evaluation is needed in ethnically diverse samples. Therefore, the current study sought to test the psychometric properties in a large sample of Iranians (n = 1429; female = 52.1%; Mean age = 35.83, ±12.89) who completed a cross‐sectional survey. Exploratory factor analysis revealed that the Persian C19‐ASS has a two‐factor structure corresponding to the perseveration and avoidance subscales of the original scale. Confirmatory factor analyses also supported a two‐factor solution, which showed a firm model fit and high internal consistencies. Furthermore, it showed excellent divergent validity from generalized anxiety, indicating that it is concerned explicitly with COVID‐19, supported by correlational analyses and exploratory factor analysis. Test of incremental validity indicated the Persian C19‐ASS explained more variance in functional impairment and COVID‐19 anxiety than the gender, marital and educational status, generalized anxiety, neuroticism, openness, consciousness and having lost someone close due to COVID‐19. Also, based on a mediation test, it was found that C19‐ASS mediates the relationship between the Big Five personality traits (except openness and consciousness) and health anxiety, generalized anxiety, depression and COVID‐19 anxiety. Overall, the current findings provide further evidence for the construct of the COVID‐19 anxiety syndrome. The COVID‐19 anxiety syndrome is discussed in light of the S‐REF model that provides an explanatory framework for this pandemic‐related construct.
Preclinical Solid Tumor Models to Study Novel Therapeutics in Brain Metastases
Authors: Singh Mohini , Dahal Ashish , Brastianos Priscilla K. 
Published: November 2021

AbstractMetastases are the most common malignancy of the adult central nervous system and are becoming an increasingly troubling problem in oncology largely due to the lack of successful therapeutic options. The limited selection of treatments is a result of the currently poor understanding of the biological mechanisms of metastatic development, which in turn is difficult to achieve because of limited preclinical models that can accurately represent the clinical progression of metastasis. Described in this article are in vitro and in vivo model systems that are used to enhance the understanding of metastasis and to identify new therapies for the treatment of brain metastasis. © 2021 Wiley Periodicals LLC.
Races of small molecule clinical trials for the treatment of COVID‐19: An up‐to‐date comprehensive review
Authors: Hu Suwen , Jiang Songwei , Qi Xiang , Bai Renren , Ye Xiang‐Yang , Xie Tian 
Published: November 2021

AbstractThe coronavirus disease‐19 (COVID‐19) pandemic has become a global threat since its first outbreak at the end of 2019. Several review articles have been published recently, focusing on the aspects of target biology, drug repurposing, and mechanisms of action (MOAs) for potential treatment. This review gathers all small molecules currently in active clinical trials, categorizes them into six sub‐classes, and summarizes their clinical progress. The aim is to provide the researchers from both pharmaceutical industries and academic institutes with the handful information and dataset to accelerate their research programs in searching effective small molecule therapy for treatment of COVID‐19.
Parent strategies for expanding food variety: Reflections of 19,239 adults with symptoms of Avoidant/Restrictive Food Intake Disorder
Authors: Kim Young Kyung , Di Martino J. Matías , Nicholas Julia , Rivera‐Cancel Alannah , Wildes Jennifer E. , Marcus Marsha D. , Sapiro Guillermo , Zucker Nancy 
Published: November 2021

AbstractObjectiveTo characterize helpful parent feeding strategies using reflections on childhood eating experiences of adults with symptoms of Avoidant/Restrictive Food Intake Disorder (ARFID).MethodWe explored a unique text‐based dataset gathered from a population of N = 19,239 self‐identified adult “picky eaters.” The sample included adults with symptoms of ARFID as evidenced by marked interference in psychosocial functioning, weight loss/sustained low weight, and/or nutritional deficiency (likely ARFID), and non‐ARFID participants. We leveraged state‐of‐the‐art natural language processing (NLP) methods to classify feeding strategies that were perceived as helpful or not helpful. The best classifiers that distinguished helpful approaches were further analyzed using qualitative coding according to a grounded theory approach.ResultsNLP reliably and accurately classified the perceived helpfulness of caregivers' feeding strategies (82%) and provided information about features of helpful parent strategies using recollections of adults with varying degrees of food avoidance. Strategies perceived as forceful were regarded as not helpful. Positive and encouraging strategies were perceived as helpful in improving attitudes toward food and minimizing social discomfort around eating. Although food variety improved, adults still struggled with a degree of avoidance/restriction.DiscussionAdults perceived that positive parent feeding strategies were helpful even though they continued to experience some degree of food avoidance. Creating a positive emotional context surrounding food and eating with others may help to eliminate psychosocial impairment and increase food approach in those with severe food avoidance. Nevertheless, additional tools to optimize parent strategies and improve individuals' capacity to incorporate avoided foods and cope with challenging eating situations are needed.
Applying conservation reserve design strategies to define ecosystem monitoring priorities
Authors: Martín‐Forés Irene , Guerin Greg R. , Munroe Samantha E. M. , Sparrow Ben 
Published: November 2021

AbstractIn an era of unprecedented ecological upheaval, monitoring ecosystem change at large spatial scales and over long‐time frames is an essential endeavor of effective environmental management and conservation. However, economic limitations often preclude revisiting entire monitoring networks at high frequency. We aimed here to develop a prioritization strategy for monitoring networks to select a subset of existing sites that meets the principles of complementarity and representativeness of the whole ecological reality, and maximizes ecological complementarity (species accumulation) and the spatial and environmental representativeness. We applied two well‐known approaches for conservation design, the “minimum set” and the “maximal coverage” problems, using a suite of alpha and beta biodiversity metrics. We created a novel function for the R environment that performs biodiversity metric comparisons and site prioritization on a plot‐by‐plot basis. We tested our procedures using plot data provided by the Terrestrial Ecosystem Research Network (TERN) AusPlots, an Australian long‐term monitoring network of 774 vegetation and soil monitoring plots. We selected 250 plots and 80% of the total species recorded as targets for the maximal coverage and minimum set problems, respectively. We compared the subsets selected by the different biodiversity metrics in terms of complementarity and spatial and environmental representativeness. We found that prioritization based on species turnover (i.e., iterative selection of the most dissimilar plot to a cumulative sample in terms of species replacement) maximized ecological complementarity and spatial representativeness, while also providing high environmental coverage. Species richness was an unreliable metric for spatial representation. Selection based on range‐rarity‐richness was balanced in terms of complementarity and representativeness, whereas its richness‐corrected implementation failed to capture ecological and environmental variation. Prioritization based on species turnover is desirable to cover the maximum variability of the whole network. Synthesis and applications: Our results inform monitoring design and conservation priorities, which can benefit by considering the turnover component of beta diversity in addition to univariate metrics. Our tool is computationally efficient, free, and can be readily applied to any species versus sites dataset, facilitating rapid decision‐making.
Macroinvertebrate and diatom indicators of baseline conditions for setting targets in agricultural BMP restoration
Authors: Kroll Stefanie A. , Oakland Hayley C. , Minerovic Frohn Alison 
Published: November 2021

AbstractRecovery trajectories from restoration projects are poorly understood, making it difficult to set restoration targets as part of project planning. As part of the Delaware River Watershed Initiative (DRWI), we collected baseline environmental and biological data at 84 sites in watersheds where agricultural Best Management Practices (BMPs) are being implemented and forested land is being preserved. The objective of this study was to understand which diatom and macroinvertebrate community measures best characterize biological integrity along a gradient of land cover, habitat measures, and water chemistry in order to later set targets for recovery. To this end, we ran separate Redundancy Analysis (RDA) ordinations in which environmental variables constrained (1) community metrics and (2) relative abundance (taxonomic composition) for macroinvertebrates and diatoms. To understand where along the environmental gradient the sites were represented differently by the respective biotic community measures (community metrics and taxonomic composition), the two constrained ordinations were then compared using Procrustes distance. For macroinvertebrate communities, we saw the most agreement in site characterization between the ordinations at intermediate % agricultural land, but disagreement at both high and low % agricultural land. For diatom communities, we saw the most agreement between the site characterizations at high to intermediate % agricultural land, with increasing disagreement associated with increasing % forested land cover. Use of baseline data to set targets for ecosystem recovery requires consideration of which data are most relevant for the site conditions and what amount of change is feasible based on project implementation and effectiveness. A key aspect of choosing endpoints is when the loss of information inherent to metrics makes them less useful for accurately evaluating ecological integrity, especially when looking to capture incremental changes. Based on our findings, we suggest the use of some community metrics and some key taxa to set targets of recovery in biotic communities in agricultural streams, and that these targets be adjusted to best fit the ecological conditions at a given site within a larger data set. Accordingly, monitoring must take place in the context of regional conditions and must be designed to inform target‐setting.
Toward a unified diversity–area relationship (DAR) of species and gene diversity illustrated with the human gut metagenome
Authors: Ma Zhanshan (Sam) , Ellison Aaron M. 
Published: November 2021

AbstractThe biogeographic diversity of the microbiome can be investigated from two perspectives: the spatiotemporal distribution of species (or any operational taxonomic unit) diversity and the spatiotemporal distribution of metagenomic gene diversity. Together, these provide a complementary understanding of taxonomic, ecological, evolutionary, and functional aspects of the microbiome. Here, we reformulate the species diversity–area relationship (DAR) to quantify and illustrate metagenomic diversity–area relationships (m‐DAR) with the gut metagenome from the human microbiome project (HMP). Using the m‐DAR, the estimated ranges of human gut metagenomic genes (MG) within and among individuals are 5.0–9.7 × 105 and 4.3–6.9 × 106, respectively; the among‐individual standard errors of these estimates (6.0–7.5 × 105) are of the same order of magnitude as the within‐individual ranges, suggesting high between‐individual variability. We similarly estimated the number of metagenome functional gene clusters (MFCG) to be 222–245 (SE = 1–2). More detailed analysis of the m‐DAR profile, pair‐wise diversity overlap (PDO), maximal accrual diversity (MAD), and ratio of individual‐ to population‐level diversity (RIP) of microbiomes of individuals with healthy guts and those with three microbiome‐associated diseases (obesity, diabetes, and inflammatory bowel disease) identified differences in m‐DAR parameters between healthy and diseased individuals. Methodologically, the m‐DAR and its associated parameters offer a unified toolset with which to study and analyze microbiomes from both species and metagenomic perspectives and to explore spatial scaling of metagenomic diversity within and among individuals. To the best of our knowledge, our illustration of m‐DAR with the human gut metagenome is the first statistically‐based estimate of the richness of human metagenomic genes at population scale.
Intraspecific trait variation improves understanding and management of cover crop outcomes
Authors: Herrick Etienne , Blesh Jennifer 
Published: November 2021

AbstractUnderstanding links between functional trait diversity and ecosystem services can inform more sustainable management of agroecosystems. The use of cover crops (i.e., non‐harvested crops) is a key strategy for increasing plant functional trait diversity in crop rotations. Variation in functional traits can be assessed in multiple ways—within a species (intraspecific), across species (interspecific), and across communities (community trait metrics). Recent evidence from the field of trait‐based research suggests that the role of intraspecific trait variation (ITV) in explaining ecological dynamics deserves greater attention. We conducted a systematic literature review to determine whether this also applies to cover crops. While fewer than one‐third of the 30 studies we reviewed explicitly tested intraspecific trait questions, together they demonstrated that significant ITV occurs across populations and in response to environmental and management conditions. ITV is thus an understudied yet important aspect of cover crop performance. To address research gaps identified by the literature review, we conducted a complementary field experiment to evaluate cover crop functional trait variation and assess relationships between traits and ecosystem services. Significant ITV occurred among three cover crop species (buckwheat, cowpea, and sorghum sudangrass) planted alone and in mixtures, indicating that interactions between functionally diverse species in mixtures induced trait plasticity. We expected that traits such as plant height, root:shoot ratio, shoot C:N ratio, and specific leaf area (SLA) would be positively related to cover crop nitrogen (N) assimilation. Using community‐weighted means per common practice, our hypothesis was supported for the former three traits, while SLA was unexpectedly negatively associated with N assimilation. However, ITV revealed that this unexpected relationship was driven by higher SLA and lower N assimilation values of the broadleaf compared with the grass species. Across treatments, SLA for the grass species was positively related to N assimilation, as expected. In sum, we demonstrate that assessing ITV is critical for refining understanding and management of cover crop outcomes.
Viologen‐Based Uranyl Coordination Polymers: Anion‐Induced Structural Diversity and the Potential as a Fluorescent Probe
Authors: Hu Kong‐Qiu , Zeng Li‐Wen , Kong Xiang‐He , Huang Zhi‐Wei , Yu Ji‐Pan , Mei Lei , Chai Zhi‐Fang , Shi Wei‐Qun 
Published: November 2021

AbstractFour novel uranyl coordination polymers (CPs) have been synthesized by the utilization of viologen derivative ligand, 1,1’‐bis(3,5‐dicarboxyphenyl)‐4,4’‐bipyridinium (H4bdbp ⋅ 2Cl), and uranyl nitrate under hydrothermal reactions through the regulation of different kinds of inorganic acids (HF, HCl, HNO3, HClO4, H2SO4). Compound 1 features a unique triple‐stranded helix structure with a helical pitch of 31.578 Å. The ligands in compounds 2–4 have similar configurations, while their 3D structures are completely different due to the presence of different kinds of anions. The anions play different roles in the frameworks of these uranyl CPs. In addition, compound 2 possesses strong fluorescence both in solid‐state and aqueous suspension‐state. It is demonstrated that compound 2 can selectively detect Fe3+ over several competing metal cations in aqueous solution.