bluuebunny/crossref_metadata_2025_split huggingface dataset:
Binding and Transport Properties of a Benzo[b]thiophene‐Based Mono‐(thio)urea Library
Authors: Moiteiro Cristina , Marques Igor , Ryder William G. , Cachatra Vasco , Carvalho Sílvia , Chen Li‐Jun , Goodfellow Brian J. , Gale Philip A. , Félix Vítor 
Published: December 2021

AbstractUsing the chemical versatility of the benzo[b]thiophene motif, an extensive library of 24 (thio)urea receptors, with different binding properties and lipophilicities, was prepared and included α,α‐, α,β‐, β,β‐, β,γ‐, α,γ‐, and γ,γ‐benzo[b]thiophene positional isomers, as well as β‐ or γ‐benzo[b]thiophene‐based molecules decorated with aliphatic chains or aryl moieties with different fluorination degrees. 1H NMR titrations, X‐ray crystallographic studies, and DFT calculations were used to study the chloride binding affinities between receptors and substrates. Experimental efflux studies suggested that the anion transmembrane transport activity is dependent on the receptors′ lipophilicity and hydrogen bonding ability. Moreover, LUV based assays indicated that anion efflux occurs mainly through an uniport mechanism. Further MD simulations showed that anion transport is highly dependent on the orientation and interactions of the receptors at the water/lipid interface.
Impact of climate change on wheat security through an alternate host of stripe rust
Authors: Zhang Nannan , Liao Ziyan , Wu Shuang , Nobis Michael Peter , Wang Jinniu , Wu Ning 
Published: December 2021

AbstractIn the 21st century, stripe rust, caused by Puccinia striiformis f. sp. tritici (Pst), is still the most devastating disease of wheat globally. Despite the critical roles of the alternate host plants, the Berberis species, in the sexual reproduction and spread of Pst, the climate change impacts on the redistribution of Berberis plants, and their potential risk of incurring wheat stripe rust are scarcely discussed in the literature. This study evaluated the potential risk of Pst in wheat cultivation in Sichuan Province, China, for the first time, by analyzing the dynamics of Berberis plants and the change in Pst oversummering range under climate change scenarios. Ensembles of small models (ESMs) in combination with four algorithms were used to project the future (i.e., 2041–2060, 2061–2080, and 2081–2100) distributions of 54 Berberis species in Sichuan Province based on two shared socioeconomic pathways (SSP) scenarios. The species richness of Berberis was predicted to increase in northwestern Sichuan but decreased in southern and eastern Sichuan under both SSP245 and SSP585 scenarios. The mean temperature of the driest quarter was found to be the determinant of the distributional shifts for the majority of Berberis plants. Our overlapping assessments indicated that the risk of wheat stripe rust would be reduced in southwestern Sichuan. In contrast, it would be aggravated in the northwest due to the predicted shifts of Berberis plants northwards and stronger shrinkage of Pst oversummering range occurring in the south than in the north. In the “hotspots” of the stripe rust pathogen, risk assessment in advance could provide a scientific basis for decision‐makers and local communities in effectively controlling wheat stripe rust, thus further sustaining food security through adapting to future climate change.
Key parameter optimization using multivariable linear model for the evaluation of the in vitro estrogenic activity assay in T47D cell lines (CXCL‐test)
Authors: Linhartova Lucie , Costet Nathalie , Pakdel Farzad , Cajthaml Tomas , Habauzit Denis 
Published: December 2021

AbstractIn comparison with analytical tools, bioassays provide higher sensitivity and more complex evaluation of environmental samples and are indispensable tools for monitoring increasing in anthropogenic pollution. Nevertheless, the disadvantage in cellular assays stems from the material variability used within the assays, and an interlaboratory adaptation does not usually lead to satisfactory test sensitivities. The aim of this study was to evaluate the influence of material variability on CXCL12 secretion by T47D cells, the outcome of the CXCL‐test (estrogenic activity assay). For this purpose, the cell line sources, sera suppliers, experimental and seeding media, and the amount of cell/well were tested. The multivariable linear model (MLM), employed as an innovative approach in this field for parameter evaluation, identified that all the tested parameters had significant effects. Knowledge of the contributions of each parameter has permitted step‐by‐step optimization. The most beneficial approach was seeding 20,000 cells/well directly in treatment medium and using DMEM for the treatment. Great differences in both basal and maximal cytokine secretions among the three tested cell lines and different impacts of each serum were also observed. Altogether, both these biologically based and highly variable inputs were additionally assessed by MLM and a subsequent two‐step evaluation, which revealed a lower variability and satisfactory reproducibility of the test. This analysis showed that not only parameter and procedure optimization but also the evaluation methodology must be considered from the perspective of interlaboratory method adaptation. This overall methodology could be applied to all bioanalytical methods for fast multiparameter and accurate analysis.
Nanosized calcium deficient hydroxyapatites for tooth enamel protection
Authors: Zalite Vita , Lungevics Janis , Vecstaudza Jana , Stipniece Liga , Locs Janis 
Published: December 2021

AbstractCalcium phosphates (CaP) are extensively studied as additives to dental care products for tooth enamel protection against caries. However, it is not clear yet whether substituted CaP could provide better enamel protection. In this study we produced, characterized and tested in vitro substituted and co‐substituted calcium deficient hydroxyapatite (CDHAp) with Sr2+ and F− ions. X‐ray powder diffractometry, Fourier transformation infrared spectroscopy, scanning electron microscopy, energy‐dispersive X‐ray analysis, Brunauer–Emmett–Teller were used to characterize synthesized powders and also cytotoxicity was evaluated. pH = f(t) test was performed to estimate, weather synthesized CDHAp suspensions are able to increase pH of experimental media after acid addition. Synthesis products were incorporated into paste to perform in vitro remineralization on the bovine enamel. In addition to mentioned instrumental methods, profilometry was used for evaluation of remineralised enamel samples. The obtained results confirmed formation of CDHAp substituted with 1.5–1.6 wt% of fluoride and 7.4–7.8 wt% of strontium. pH = f(t) experiment pointed out that pH increased by approximately 0.3 within 10 min after acid addition for all CDHAp suspensions. A new layer of the corresponding CDHAp was formed on the enamel. Its thickness increased by 0.8 ± 0.1 μm per day and reached up to 5.8 μm after 7 days. Additionally, octa calcium phosphates were detected on the surface of control samples. In conclusion, we can assume that CDHAp substituted with Sr2+ and/or F− could be used as an effective additive to dental care products promoting formation of protecting layer on the enamel, but there was no significant difference among sample groups.
Mixed‐matrix membranes based on Li1.6Mn1.6O4 (LMO) ultrathin nanosheet for high‐performance CO2 separation
Authors: Liu Fu , Zhu Weifang , Gou Minmin , Cao Hengheng , Guo Ruili 
Published: December 2021

AbstractTwo‐dimensional flake Li1.6Mn1.6O4 (LMO) was added to the Pebax®MH 1657 (Pebax) matrix to prepare mixed‐matrix membranes (MMMs) for CO2/CH4 mixed gas separation. The average pore diameter of the LMO nanosheet was about 10.79 nm: a fast CO2 transport channel could be established in the membrane. In addition, the Li and oxygen defect site (Oδ−) in the LMO had an affinity for CO2, which improved the permeability of the membrane and the selectivity for CO2 separation. Furthermore, the ultrathin structure of LMO with large aspect ratio was also conducive to gas separation. When the LMO filling amount was 2.0 wt%, the permeation rate of pure CO2 gas of Pebax/LMO‐2.0 membrane was 117.9 Barrer, and the CO2/CH4 ideal selectivity was 18.74, which were 119.7 and 35.8% higher than Pebax membrane, respectively. The CO2/CH4 mixed gas separation results of Pebax/LMO‐2.0 membrane showed that the CO2 permeability and CO2/CH4 selectivity were 158.54 Barrer and 33.41, respectively, and were increased by 83.24 and 23.15%, compared with Pebax membrane.
Quasimagic rectangles
Authors: Froncek D. , Paramasivam K. , Prajeesh A. V. 
Published: December 2021

AbstractA quasimagic rectangle is an array with odd and even whose entries are , each appearing exactly once, such that the sum of every row is equal to a constant and the sum of every column is equal to a constant . In this article, we prove the existence of for all possible values of and , when . In addition, if , we prove that the condition is necessary and sufficient for the existence of .
Sargassum horneri‐based carbon‐doped TiO2 and its aquatic naphthalene photodegradation under sunlight irradiation
Authors: Zeng Ganning , Hong Chunxian , Ma Yuan , Du Mingming , Zhang Yan , Luo Hongwei , Chen Bing , Pan Xiangliang 
Published: December 2021

AbstractBACKGROUNDDuring the past two decades, aquatic polycyclic aromatic hydrocarbon (PAH) contamination has gained more and more attention, because of carcinogenicity or mutagenicity, toxicity, persistence and bioaccumulation, and a huge threat posed to entire ecosystems.RESULTSSargassum horneri (SH)‐based carbon was pretreated with ethanol and formaldehyde, and obtained after pre‐carbonization using H2SO4. The SH carbon powder was used to immobilize nano‐TiO2 in aquatic environment by a facile sol–gel method. The resulting C/TiO2 catalyst was applied to photocatalytic aquatic naphthalene degradation under sunlight and showed the best naphthalene degradation performance of 83.77% under simulated sunlight, which could be attributed to the shape and structure contribution originating from SH. C/TiO2 served as both adsorbent and catalyst in the degradation process of naphthalene, and the photodegradation process conformed to a double‐exponential kinetic model, indicating that there are physical and chemical processes involved in the degradation. The mechanism for enhanced photocatalytic activity was verified as a synergistic mechanism resulting from SH‐based carbon and TiO2, and showed industrial potential for removal aquatic PAH pollutants.CONCLUSIONSThis study verifies that the synergistic effect resulting from SH‐based carbon and TiO2 enhanced the photocatalytic performance. © 2021 Society of Chemical Industry (SCI).
A new catalyst mixture for synthesis of 1,3,5‐trioxane
Authors: Ren Chunxiao , Li Jisheng , Wang Jingjing , Jiang Siqi , Guo Xin , Qi Jianguang , Jiao Congzhe , Wang Yichuan , Hu Yufeng , Liu Zhichang 
Published: December 2021

AbstractBACKGROUNDA new catalyst mixture, namely trifluoromethanesulfonic acid + N‐methylimidazolium trifluoromethanesulfonate (CF3SO3H + [mim][CF3SO3]), is developed to overcome long‐standing problems of commercial catalysts and catalytic distillation for 1,3,5‐trioxane synthesis. CF3SO3H serves as a catalyst to accelerate the main reaction and [mim][CF3SO3] serves as an extractive distillation agent to promote phase separation. Unlike the conventional design methods whose purpose is to increase catalytic activity and selectivity, this catalyst mixture is designed to significantly enhance phase separation.RESULTSCompared to commercial catalysts, the new catalyst mixture significantly increases product concentration in distillate, and significantly decreases byproduct concentration in reaction liquid phase and volatilization loss of reactant in reaction liquid phase. This catalyst mixture also considerably decreases corrosion rate and salting out effect of catalyst.CONCLUSIONSOur design approach is of general significance for catalytic distillation. As a real example, it is used to markedly improve the performances of commercial catalysts for 1,3,5‐trioxane synthesis. © 2021 Society of Chemical Industry (SCI).
Diagnostic value of ultrasound and contrast‐enhanced ultrasound in septic acute kidney injury
Authors: Liu Pei Qing , Ding Chang Wei , Zhang Ying Chun , Ma Qi , Liu Li Jun 
Published: December 2021

AbstractPurposeThis study aimed to explore the clinical value of ultrasonic Doppler examination and contrast‐enhanced ultrasound (US) in the circulation of septic acute kidney injury (AKI).MethodsPatients with intensive care unit‐related infection were divided into AKI group and control groups. The AKI group was divided into three subgroups according to the serum creatinine value: stage 1, stage 2, and stage 3. Relevant parameters and blood flow of the renal artery were measured, and further contrast‐enhanced US was performed and time‐intensity curve was analyzed.ResultsThe renal blood flow (RBF) and time‐averaged velocity decreased significantly in the AKI group compared with the control group (p = .021 and p = .001). The peak value decreased and time to peak (TTP) prolonged in the AKI group (p < .001). With the aggravation of the disease, the RBF decreased slightly among subgroups (p = 0.124). However, the peak value gradually decreased and the TTP prolonged (all p < .05). The multiple linear regression model showed that only PI, RI, and TTP were independently and linearly correlated with the serum creatinine value.ConclusionsDoppler US and contrast‐enhanced US are of great help in the detection of condition changes and prognosis of patients with sepsis‐induced AKI.
Flooding‐induced inorganic phosphorus transformations in two soils, with and without gypsum amendment
Authors: Attanayake Chammi P. , Dharmakeerthi Randombage Saman , Kumaragamage Darshani , Indraratne Srimathie Priyanthika , Goltz Doug 
Published: December 2021

AbstractAnaerobic conditions developed during flooding can increase phosphorus (P) losses from soils to waterways. Soil amendment with gypsum (CaSO4·2H2O) can effectively reduce flooding‐induced P release, but its effectiveness is soil dependent, and the reasons are poorly understood. The objectives of this study were to reveal the possible inorganic P transformations during flooding of two soils (acidic‐Neuenberg sandy loam [NBG‐SL] and alkaline‐Fyala clay [FYL‐Cl]), with and without gypsum amendment prior to flooding. Porewater samples collected at 0, 35, and 70 d after flooding (DAF) from soils incubated in vessels were analyzed for dissolved reactive P (DRP); pH; and concentrations of calcium (Ca), magnesium, iron (Fe), manganese, chloride, nitrate, sulfate, and fluoride. Thermodynamic modeling using Visual MINTEQ software and chemical fractionation of soil P were used to infer P transformations. Soil redox potential (Eh) decreased with flooding and favored reductive dissolution of Fe‐associated P increasing porewater DRP concentrations. Greater solubility of Ca‐P under acidic pH maintained a higher DRP concentration in NBG‐SL during early stages of flooding. A subsequent increase in pH with flooding and higher Ca concentration with added gypsum enhanced the stability of Ca‐P (β‐tricalcium phosphate and octacalcium phosphate), reducing the DRP concentration in gypsum‐amended NBG‐SL. Stability of Ca‐P was less affected with flooding and gypsum amendment in FYL‐Cl soil because it had an alkaline pH and inherently higher Ca concentration. The FYL‐Cl, with a more rapid decrease in Eh than NBG‐SL, became severely reduced, releasing more P and Fe by 70 DAF. These conditions favored vivianite formation in FYL‐Cl but not in NBG‐SL.
Prevalence and risk factor for chronic diarrhea in participants of a Japanese medical checkup
Authors: Matsumoto Yuji , Nadatani Yuji , Otani Koji , Higashimori Akira , Ominami Masaki , Fukunaga Shusei , Hosomi Shuhei , Kamata Noriko , Kimura Tatsuo , Fukumoto Shinya , Tanaka Fumio , Taira Koichi , Nagami Yasuaki , Watanabe Toshio , Fujiwara Yasuhiro 
Published: December 2021

AbstractBackground and AimAlthough chronic diarrhea is a major digestive disorder, it has not been well studied. The aims of this study were to investigate the prevalence and risk factors of chronic diarrhea in the Japanese population and to assess the relationship between stool type and frequency and symptoms related to chronic diarrhea.MethodA total of 13 668 adults who underwent a medical checkup at MedCity21 were enrolled, and 9540 who met the inclusion criteria participated in the study. Participants with chronic diarrhea were defined as those who typically had a Bristol Stool Form Scale of type 6 or 7.ResultsThe prevalence of chronic diarrhea was 3.0%. The risk factors for chronic diarrhea were younger age (odds ratio [OR] 0.984, 95% confidence interval [CI] 0.972–0.996), male sex (OR = 2.270, CI = 1.730–2.960), alcohol intake on ≥5 days per week (OR = 2.390, CI = 1.860–3.060), not getting adequate sleep (OR = 0.712, CI = 0.559–0.907), skipping breakfast ≥3 times a week (OR = 1.490, CI = 1.120–1.980), and absence of diabetes mellitus (OR = 0.384, CI = 0.179–0.824). Only 23.5% of the participants in the diarrhea group had ≥3 bowel movements per day. Chronic diarrhea was significantly associated with heartburn, nausea, stomach ache, abdominal bloating and distension, and feeling of stress.ConclusionsOur study shows that chronic diarrhea is common in Japan with a prevalence of 3.0%; unique risk factors related to gender, age, and irregular lifestyle were identified. An understanding of bowel habit in the healthy population is helpful for the assessment of change in bowel habit associated with gastrointestinal disorders.
A meta‐analytic investigation of the personal and work‐related antecedents of work–family balance
Authors: Vaziri Hoda , Wayne Julie Holliday , Casper Wendy J. , Lapierre Laurent M. , Greenhaus Jeffrey H. , Amirkamali Faezeh , Li Yanhong 
Published: December 2021

SummaryWe conducted a meta‐analysis examining antecedents of work–family balance, including personal characteristics, work demands, and work resources, as well as bidirectional conflict and enrichment. Bivariate results across 130 independent samples (N = 223 055) revealed that personal characteristics linked to more negative affect (i.e., neuroticism) and work demands (i.e., work hours, work overload, and job insecurity) were negatively associated with balance, whereas personal characteristics linked to more positive affect (i.e., extraversion and psychological capital) and work resources (i.e., job autonomy, schedule control, and workplace support) were positively related to balance. Family‐to‐work enrichment (FWE) was more strongly related to balance than was family‐to‐work conflict (FWC), and work‐to‐family conflict (WFC) was more strongly related to balance than was FWC. Finally, integrating tenets of job demands‐resources (JD‐R) theory, we examine two pathways (i.e., strain and motivation) through which antecedents relate to balance using meta‐analytic structural equations modeling (MASEM). In the strain pathway, neuroticism and job overload were negatively related to balance indirectly through higher WFC. In the motivation pathway, extraversion and job autonomy were positively related to balance indirectly through higher WFE. Work social support related positively to balance through higher WFE as well as lower WFC. We discuss theoretical and practical implications.
Anticoagulants decrease the risk for catheter‐related venous thrombosis in patients with chronic intestinal failure: A long‐term cohort study
Authors: Gillis Veerle E. L. M. , van Houdt Thijs , Wouters Yannick , Wanten Geert J. A. 
Published: December 2021

AbstractBackgroundCatheter‐related venous thrombosis (CRVT) is a severe complication of home parental nutrition. Although primary prevention of CRVT is crucial, there is no consensus on anticoagulant use to prevent this adversity. The aim was to compare CRVT risk in patients with chronic intestinal failure (CIF) in the presence or absence of anticoagulants, and to identify CRVT risk factors.MethodsThis retrospective cohort study comprised adult patients with CIF with a central venous access device (CVAD) between 2010 and 2020 that were treated at our national CIF referral center. Analyses were performed at a CVAD level.ResultsOverall, 1188 CVADs in 389 patients were included (540.800 CVAD days). Anticoagulants were used in 403 CVADs. In total, 137 CRVTs occurred in 98 patients, resulting in 0.25 CRVTs/1000 CVAD days (95% CI, 0.22–0.29). Anticoagulant use was associated with a decreased CRVT risk (odds ratio [OR] = 0.53; 95% CI, 0.31–0.89; P = 0.02). Left‐sided CVAD insertion (OR = 2.00; 95% CI, 1.36–2.94), a history of venous thrombosis (OR = 1.73; 95% CI, 1.05–2.84), and a shorter period postinsertion (OR = 0.78; 95% CI, 0.65–0.92) were independently associated with an increased CRVT risk.ConclusionAnticoagulants decreased the CRVT risk. In addition, we identified left‐sided vein insertion, a history of venous thrombosis, and a shorter period post‐CVAD insertion as CRVT risk factors. Further prospective studies should provide guidance whether prophylactic anticoagulant use, especially in higher‐risk patients with a left‐sided CVAD or a history of venous thrombosis, is justified.
Circulating (Poly)phenol Metabolites: Neuroprotection in a 3D Cell Model of Parkinson's Disease
Authors: Carecho Rafael , Figueira Inês , Terrasso Ana Paula , Godinho‐Pereira Joana , de Oliveira Sequeira Catarina , Pereira Sofia Azeredo , Milenkovic Dragan , Leist Marcel , Brito Catarina , Nunes dos Santos Cláudia 
Published: December 2021

ScopeDiets rich in (poly)phenols have been associated with positive effects on neurodegenerative disorders, such as Parkinson's disease (PD). Several low‐molecular weight (poly)phenol metabolites (LMWPM) are found in the plasma after consumption of (poly)phenol‐rich food. It is expected that LMWPM, upon reaching the brain, may have beneficial effects against both oxidative stress and neuroinflammation, and possibly attenuate cell death mechanisms relate to the loss of dopaminergic neurons in PD.Methods and ResultsThis study investigates the neuroprotective potential of two blood‐brain barrier permeant LMWPM, catechol‐O‐sulfate (cat‐sulf), and pyrogallol‐O‐sulfate (pyr‐sulf), in a human 3D cell model of PD. Neurospheroids were generated from LUHMES neuronal precursor cells and challenged by 1‐methyl‐4‐phenylpyridinium (MPP+) to induce neuronal stress. LMWPM pretreatments were differently neuroprotective towards MPP+ insult, presenting distinct effects on the neuronal transcriptome. Particularly, cat‐sulf pretreatment appeared to boost counter‐regulatory defense mechanisms (preconditioning). When MPP+ is applied, both LMWPM positively modulated glutathione metabolism and heat‐shock response, as also favorably shifting the balance of pro/anti‐apoptotic proteins.ConclusionsOur findings point to the potential of LMWPM to trigger molecular mechanisms that help dopaminergic neurons to cope with a subsequent toxic insult. They are promising molecules to be further explored in the context of preventing and attenuating parkinsonian neurodegeneration.
Performance analysis of modulating retro‐reflector free space optical communication system over gamma‐gamma fading channels
Authors: Li Changjin , Liu Haifeng , Lin Wei , Yan Baoluo , Li Si'ao , Liu Bo 
Published: December 2021

AbstractIn this paper, we analyze the modulating retro‐reflector (MRR) channel under different correlated conditions and derived its closed‐form expressions for the probability density function, which is helpful to the design of practical MRR free space optical (FSO) systems. A series of closed‐form expressions for BER performance of several perspective modulation schemes is investigated for MRR FSO communication system over moderate to strong fading channels by use of Gamma‐Gamma (G‐G) distribution. Simulation results show that the effect of correlation between links play a significant role in FSO communication, while varies markedly under different modulation schemes, which provide guidelines for the design and optimization of satellite‐ground laser communication system.