bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemoproteomic Profiling of Covalent XPO1 Inhibitors to Assess Target Engagement and Selectivity
Authors: Martin Jeffrey G. , Ward Jennifer A. , Feyertag Felix , Zhang Lu , Couvertier Shalise , Guckian Kevin , Huber Kilian V. M. , Johnson Douglas S. 
Published: April 2021

AbstractSelinexor, a covalent XPO1 inhibitor, is approved in the USA in combination with dexamethasone for penta‐refractory multiple myeloma. Additional XPO1 covalent inhibitors are currently in clinical trials for multiple diseases including hematologic malignancies, solid tumor malignancies, glioblastoma multiforme (GBM), and amyotrophic lateral sclerosis (ALS). It is important to measure the target engagement and selectivity of covalent inhibitors to understand the degree of engagement needed for efficacy, while avoiding both mechanism‐based and off‐target toxicity. Herein, we report clickable probes based on the XPO1 inhibitors selinexor and eltanexor for the labeling of XPO1 in live cells to assess target engagement and selectivity. We used mass spectrometry‐based chemoproteomic workflows to profile the proteome‐wide selectivity of selinexor and eltanexor and show that they are highly selective for XPO1. Thermal profiling analysis of selinexor further offers an orthogonal approach to measure XPO1 engagement in live cells. We believe these probes and assays will serve as useful tools to further interrogate the biology of XPO1 and its inhibition in cellular and in vivo systems.
A H2S‐Specific Ultrasensitive Fluorogenic Probe Reveals TMV‐Induced H2S Production to Limit Virus Replication
Authors: Pang Zhili , Ye Haishun , Ma Dejun , Tu Xiaoqiang , Yi Long , Xi Zhen 
Published: April 2021

AbstractUnderstanding the role of H2S in host defense mechanisms against RNA viruses may provide opportunities for the development of antivirals to combat viral infections. Here, we have developed a green‐emitting fluorogenic probe, which exhibits a large fluorescence response at 520 nm (>560‐fold) when treated with 100 μM H2S for 1 h. It is highly selective for H2S over biothiols (>400‐fold F/F0) and has a detection limit of 12.9 nM. We demonstrate the application of the probe for endogenous H2S detection in vivo for the understanding of its roles in antiviral host defense. Such virus‐induced H2S inhibits viral replication by reducing gene expression of RNA‐dependent RNA polymerase (RdRp) and coat protein (CP). Additionally, a H2S donor GYY4137 showed significantly antiviral activity as ribavirin, a broad‐spectrum drug against RNA viruses. Furtherly, we propose a possible molecular mechanism for the TMV‐induced H2S biogenesis. This work provides a proof‐of‐principle in support of further studies identifying endogenous H2S and its donors as potential antivirals toward RNA viruses.
Screening of Inhibitors Targeting Heat Shock Protein 47 Involved in the Development of Idiopathic Pulmonary Fibrosis
Authors: Okuno Daisuke , Sakamoto Noriho , Tagod Mohammed S. O. , Akiyama Yoshiko , Moriyama Sakiko , Miyamura Takuto , Hara Atsuko , Kido Takashi , Ishimoto Hiroshi , Ishimatsu Yuji , Tanaka Takashi , Ishihara Jun , Takeda Kohsuke , Tanaka Yoshimasa , Mukae Hiroshi 
Published: April 2021

AbstractHeat shock protein 47 (HSP47), a collagen‐specific molecular chaperone, is causally related to fibrotic diseases, including idiopathic pulmonary fibrosis. The identification of Compounds that interfere with the HSP47‐collagen interaction is essential for the development of relevant therapeutics. Herein, we prepared human HSP47 as a soluble fusion protein expressed in E. coli and established an assay system for HSP47 inhibitor screening. We screened a natural and synthetic Compound library established at Nagasaki University. Among 1023 Compounds, 13 exhibited inhibitory activity against human HSP47, of which three inhibited its function in a dose‐dependent manner. Epigallocatechin‐3‐O‐gallate, one of these three Compounds, is a typical polyphenol Compound derived from tea leaves. Structurally related Compounds were synthesized and examined for their activity, revealing a hydroxyl group at A‐ring position 5 as important for its activity. The present findings provide valuable insight for the development of natural product‐derived therapeutics for fibrotic diseases, including idiopathic pulmonary fibrosis.
Big data analytics for identifying electricity theft using machine learning approaches in microgrids for smart communities
Authors: Arif Arooj , Javaid Nadeem , Aldegheishem Abdulaziz , Alrajeh Nabil 
Published: April 2021

AbstractElectricity theft (ET) causes major revenue loss in power utilities. It reduces the quality of supply, raises production cost, causes legal consumers to pay the higher cost, and impacts the economy as a whole. In this article, we use the State Grid Corporation of China (SGCC) dataset, which contains electricity consumption data of 1035 days for two classes: normal and fraudulent. In this work, ET detection model is proposed that consists of four steps: interpolation, data balancing, feature extraction, and classification. First, missing values of the dataset are recovered using the interpolation method. Second, resampling technique is implemented. ET consumers are 9% in the SGCC dataset that make the model inefficient to correctly classify both classes (normal and theft). A hybrid resampling technique is proposed, named synthetic minority oversampling technique with near miss. Third, residual network extracts the latent features from the SGCC dataset. Fourth, three tree based classifiers, such as decision tree (DT), random forest (RF), and adaptive boosting (AdaBoost) are applied to train the encoded feature vectors for classification. Besides, search for good hyperparameters is a challenging task, which is usually done manually and takes a considerable amount of time. To resolve this problem, Bayesian optimizer is used to simplify the tuning process of DT, RF, and AdaBoost. Finally, the results indicate that RF outperforms DT and AdaBoost.
Cotton photosynthetic productivity enhancement through uniform row‐spacing with optimal plant density in Xinjiang, China
Authors: Hu Liting , Pan Xuebiao , Wang Xiaochen , Hu Qi , Wang Xiangru , Zhang Hengheng , Xue Qingwu , Song Meizhen 
Published: April 2021

AbstractXinjiang is currently the most dominant cotton (Gossypium hirsutum L.)‐growing region in China and possesses abundant radiation resource. The cultivation techniques such as wide and narrow row‐spacing and high density are widely adopted to obtain high cotton yield in the region. However, the region is facing some problems including poor light transmittance in the field and low exploitation for light resources under the current planting pattern which impedes further growth in cotton yields. Therefore, it is essential to develop some cultivation practices to increase radiation use efficiency (RUE) and cotton yields in Xinjiang. Here we conducted a field experiment to quantify the effects of row spacing pattern and plant density on RUE, intercepted photosynthetically active radiation from May to August (IRAR5–8), and lint yield during 2017 and 2018. In this study, we designed two row‐spacing configurations (R1, wide and narrow configuration, 66 cm + 10 cm; R2, uniform row‐spacing configuration, 76 cm) and six plant densities (4.5, 9.0, 13.5, 18.0, 22.5, and 27.0 plants m−2). The RUE, lint yield, and number of bolls were higher in R2 than R1 by 4.1–5.9, 2.5–4.8, and 9.1–14.2%, respectively. The RUE significantly increased with plant density, but lint yield stabilized at 18.0 plants m−2. Moreover, RUE had more significant positive effects on boll number and lint yield. Overall, we found that R2 combined with optimal plant densities (13.5–18.0 plants m−2) would be an effective strategy to achieve higher RUE and yields in the Xinjiang cotton system.
Improvement in mood symptoms ​after post‐bariatric surgery among people with obesity: A systematic review and meta‐analysis
Authors: Loh Huai Heng , Francis Benedict , Lim Lee‐Ling , Lim Quan Hziung , Yee Anne , Loh Huai Seng 
Published: April 2021

AbstractAimsWe aimed to examine if bariatric surgery was associated with a reduction in the prevalence of depressive and anxiety symptoms among people with obesity.Materials and MethodsWe pooled data from 49 studies involving 11,255 people with obesity who underwent bariatric surgery. The study outcomes were the prevalence of depressive and anxiety symptoms among these patients pre‐ and post‐surgery.ResultsThere was a significant reduction in body mass index (BMI) post‐operatively (pooled d+: −13.3 kg/m2 [95% confidence interval [CI] 15.19, −11.47], p < 0.001). The pooled proportion of patients with anxiety symptoms reduced from 24.5% pre‐operatively to 16.9% post‐operatively, with an odds ratio (OR) of 0.58 (95% CI 0.51, 0.67, p < 0.001). The reduction remained significant in women aged ≥40 years and irrespective of post‐operative BMI. There were significant reductions in Hospital Anxiety and Depression Score (HADS) (anxiety component) by 0.64 (pooled d+: −0.64 [95% CI −1.06, −0.22], p = 0.003) and Generalized Anxiety Disorder Assessment‐7 score by 0.54 (pooled d+: −0.54 [95% CI −0.64, −0.44], p < 0.001). The pooled proportion of depressive symptoms reduced from 34.7% pre‐operatively to 20.4% post‐operatively, with an OR of 0.49 (95% CI 0.37, 0.65, p < 0.001). The reduction remained significant irrespective of patient's age and post‐operative BMI. There were also significant reductions in HADS score (depressive component) (pooled d+: −1.34 [95% CI −1.93, −0.76], p < 0.001), Beck’s Depression Inventory score (pooled d+: −1.04 [95% CI −1.46, −0.63], p < 0.001) and Patient Health Questionnaire‐9 score (pooled d+: −1.11 [95% CI −1.21, −1.01], p < 0.001).ConclusionBariatric surgery was associated with significant reduction in the prevalence and severity of depressive and anxiety symptoms among people with obesity.
Vegetation dynamics models: a comprehensive set for natural resource assessment and planning in the United States
Authors: Blankenship Kori , Swaty Randy , Hall Kimberly R. , Hagen Sarah , Pohl Kelly , Shlisky Hunt Ayn , Patton Jeannie , Frid Leonardo , Smith Jim 
Published: April 2021

AbstractIn the context of widespread ecological changes, land managers and policymakers confront the need to prioritize ecosystem restoration and fuel management activities across large areas to sustain ecosystem services. Reference conditions inform prioritization efforts by providing a baseline from which to measure where and how vegetation and fuels have changed, but until recently the USA lacked a complete set of reference conditions. We describe the ongoing development of a comprehensive set of vegetation reference conditions based on over 900 quantitative vegetation dynamic models and accompanying description documents for terrestrial ecosystems in the USA. These models and description documents, collaboratively developed by more than 800 experts around the country through the interagency LANDFIRE Program, synthesize fundamental ecological information about ecosystem dynamics, structure, composition, and disturbance regimes before European‐American settlement. These products establish the first comprehensive national baseline for measuring vegetation change in the USA, providing land managers and policymakers with a tool to support vegetation restoration and fuel management activities at regional to national scales. Users have applied these products to support a variety of land management needs including exploring ecosystem dynamics, assessing current and desired conditions, and simulating the effects of management actions. In an era of rapid ecological change, these products provide land managers with an adaptable tool for understanding ecosystems and predicting possible future conditions.
Intra‐seasonal rainfall variability and herbivory affect the interaction outcome of two dryland plant species
Authors: Verwijmeren M. , Baudena M. , Wassen M. , Díaz‐Sierra R. , Smit C. , Rietkerk M. 
Published: April 2021

AbstractIncreases in drought frequency in combination with overgrazing may result in degradation of (semi‐) arid ecosystems. Facilitative interactions between plants are a key mechanism in preventing degradation, but it is poorly understood how they respond to increased stress by combined drought and herbivory. In this study, we used an ecohydrological model, to simulate the plant growth of two plant species interacting with each other under different rainfall and herbivory pressure scenarios. The functional traits of the two modeled plants were based on a prior field experiment in southeastern Spain, in which an unpalatable “nurse” species protected a palatable protégé species from herbivory. Moreover, the nurse species was more drought‐resistant; that is, it had a lower wilting point, whereas the protégé species had a higher optimal growth rate. Firstly, we investigated the coexistence of the two plant species growing under a single limiting resource, focusing on the effect of intra‐seasonal rainfall variability. We found that longer periods without rainfall within the wet season resulted in stable coexistence, whereas nearly constant rainfall led to competitive exclusion of the protégé by the nurse species. Secondly, we investigated how plant interactions varied along our studied gradients. Using the neighbor effect intensity and importance indices, we found that competitive effects increased with more constant rainfall. Moreover, higher herbivory rates resulted in increased facilitative effects of the nurse on the protégé species, but facilitative effects could only prevail over competitive effects under currently observed or higher intra‐seasonal rainfall variability. This study highlights the relevance of intra‐seasonal rainfall variability in explaining coexistence of species in dryland ecosystems and shows that increasing intra‐seasonal rainfall variability or herbivory pressure can result in more facilitative effects from a nurse species. This information is crucial to obtain a better insight into the long‐term coexistence of species, and the resulting stability of dryland ecosystems in response to future climate change.
Learning from organisational changes in the management of breast cancer patients during the COVID‐19 pandemic: Preparing for a second wave at a breast unit in northern Italy
Authors: Ferro Antonella , Cristofolini Paolo , Garcia‐Etienne Carlos A. , Caffo Orazio , Pellegrini Marco , Fantò Carmine , Mussari Salvatore , Campregher Monica , Lazzeri Silvia , Cantarelli Sara , Guarrera Giovanni Maria 
Published: April 2021

AbstractItaly was the first western country to be hit by the initial wave of severe adult respiratory syndrome coronavirus 2 pandemic, which has been more widespread in the country's northern regions. Early reports showing that cancer patients are more susceptible to the infection posed a particular challenge that has guided our Breast Unit at Hub Hospital in Trento to making a number of stepwise operational changes. New internal guidelines and treatment selection criteria were drawn up by a virtual multidisciplinary tumour board that took into account the risks and benefits of treatment, and distinguished the patients requiring immediate treatment from those whose treatment could be delayed. A second wave of the pandemic is expected in the autumn as gatherings in closed places increase. We will take advantage of the gained experience and organisational changes implemented during the first wave in order to improve further, and continue to offer breast cancer management and treatment to our vulnerable patient population.
Small‐scale–irrigated agriculture empowered women‐headed households in Tigray, Ethiopia*
Authors: Smur Gebrehiwet , Teka Kassa , Teklehaimanot Abadi 
Published: April 2021

AbstractAgricultural production in Ethiopia is primarily rainfed, which is characterized by its erratic and often inadequate nature. Women‐headed households are more susceptible to the resulting poor agricultural production. Hence, small‐scale irrigation has been considered as a solution in the country. However, research on its social and economic contribution for these households is limited. Thus, this study aimed at closing this research gap taking Kilte‐Awulaelo District as a case study. The study covered a total of 205 respondents (187 individuals and one group discussion with 18 participants) from three villages. Data were obtained using semi‐structured questionnaires taking changes in household income, housing improvement, resource control, access to social services, and level of community participation as major indicators. The survey indicated that there was an improvement in women‐headed households' overall social and economic benefits after introducing small‐scale irrigation. Small‐scale irrigation significantly increased women‐headed households' income from livestock and crop production by 24.3% and 68.8%, respectively. This led women‐headed households to have access to control of household resources, financial independency, profit, employment opportunities, psychological well‐being, and community participation. It can be concluded that small‐scale irrigation agriculture played a significant role in empowering women‐headed households.
Migration in China: To work or to wed?
Authors: Dupuy Arnaud 
Published: April 2021

SummaryThis paper develops a model encompassing both matching and hedonic models, studies its properties, and provides identification and estimation strategies. We bring the model to data on internal migration in China to answer the question raised in the title. We estimate the migration surplus of singles and couples and the marital surplus of natives and, using counterfactuals together with our identification strategy, quantify the “marrying‐up” and the “work” effects of migration. Results show that, for floating (resp. permanent) migrant women married with urban men, the “marrying‐up” effect is positive but 3.5 (resp. 5) times smaller than the “work” effect. However, as these migrant women enter the urban marriage market, they generate equilibrium “marrying‐up” effects for all men and women by changing the relative supply of women on both the rural and urban marriage markets. These effects can be large relative to the “work” effect of migration for some types of migrants (floating migrant women married with a permanent migrant man and floating migrant women married with a floating migrant man) and represent about 13% of the equilibrium utility of urban native men.
Polymeric metal‐containing ionic liquid sorbent coating for the determination of amines using headspace solid‐phase microextraction
Authors: Yavir Kateryna , Eor Philip , Kloskowski Adam , Anderson Jared L. 
Published: April 2021

AbstractThis study describes the design, synthesis, and application of polymeric ionic liquid sorbent coatings featuring nickel metal centers for the determination of volatile and semivolatile amines from water samples using headspace solid‐phase microextraction. The examined polymeric ionic liquid (PIL) sorbent coatings were composed of two ionic liquid monomers (tetra(3‐vinylimidazolium)nickel bis[(trifluoromethyl)sulfonyl]imide [Ni2+(VIM)4] 2[NTf2–] and 1‐vinyl‐3‐hexylimidazolium [HVIM+][NTf2–]), and an ionic liquid cross‐linker (1,12‐di(3‐vinylimidazolium)dodecane [(VIM)2C122+] 2[NTf2–]). With these ionic liquid monomers and cross‐linkers, three different types of coatings were prepared: PIL 1 based on the neat [Ni2+(VIM)4] 2[NTf2–] monomer, PIL 2 consisting of the [Ni2+(VIM)4] 2[NTf2–] monomer with addition of cross‐linker, and PIL 3 composed of the [HVIM+][NTf2–] monomer and cross‐linker. Analytical performance of the prepared sorbent coatings using headspace solid‐phase microextraction gas chromatography–mass spectrometry was compared with the polydimethylsiloxane and polyacrylate commercial coatings. The PIL 2 sorbent coating yielded the highest enrichment factors ranging from 5500 to over 160 000 for the target analytes. The developed headspace solid‐phase microextraction gas chromatography–mass spectrometry method was applied for the analysis of real samples (the concentration of amines was 200 μg/L), producing relative recovery values in the range of 90.9–120.0% (PIL 1) and 83.0–122.7% (PIL 2) from tap water, and 84.8–112.4% (PIL 1) and 79.2–119.3% (PIL 2) from lake water.
Strong and regionally distinct links between ice‐retreat timing and phytoplankton production in the Arctic Ocean
Authors: Song Hongjun , Ji Rubao , Jin Meibing , Li Yun , Feng Zhixuan , Varpe Øystein , Davis Cabell S. 
Published: April 2021

AbstractRecent rapid sea‐ice changes in the Arctic Ocean have been widely considered to alter phytoplankton bloom timing and primary production, but the magnitude and regionality of this effect remain unclear. Here, we examined the spatial patterns in bloom timing, bloom magnitude, and primary productivity in relation to ice‐retreat timing, using a combination of satellite observations and numerical modeling. We found distinct regional differences in how the phytoplankton bloom relates to ice‐retreat timing. In the Arctic shelf regions, earlier and stronger blooms follow earlier annual ice retreats and enhanced light availability. By contrast, in some parts of the central Arctic, especially in the Canada Basin, there have been weakened blooms and reduced primary production in recent years. This reduction is largely due to a chain reaction triggered by earlier ice‐melt and enhanced haline stratification, which further suppress vertical nutrient exchange and reduce surface nutrients in an already nutrient‐limited system. Recognizing and quantifying strong and regionally distinct links between sea‐ice retreat and primary production will improve spatiotemporal projections of biogeochemical cycles and trophic flows in Arctic marine ecosystems.
Discovery of a Novel Antimicrobial Agent by the Virtual Screening of a Library of Small Molecules
Authors: Dighe Satish N. , van Akker Suzannah R. , Mathew Marina , Perera Madusha , Collet Trudi A. 
Published: April 2021

AbstractA virtual screening approach based upon a combination of docking and pharmacophore methods was utilized on a library of 1.4 million molecules to identify novel antimicrobial agents, which may potentially act via inhibition of the caseinolytic protease. Using this method, compound 6 was found to be bactericidal against three staphylococcal species (minimum inhibitory concentration (MIC)=4–16 μg/mL). Further, subsequent structural optimization of 6 led to the identification of compound 24, which was shown to be the most potent analog within the series (MIC=4 μg/mL) and outperforming the antibiotic controls for two of the staphylococcal species. The newly discovered antimicrobial agent (24) demonstrated excellent in silico ADME properties and was non‐toxic when tested on two human skin cell lines. As such, compound 24 has the potential for use as a lead molecule in the development of a novel class of antimicrobial agents.