bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regioselective ortho‐sulfonamidation: Exploration of Intrinsic Directing Property of β‐Carbolines and their Photophysical Studies
Authors: Bora Darshana , Reddy Dannarm Srinivas , Elza John Stephy , Sana Sravani , Sonti Rajesh , Shankaraiah Nagula 
Published: October 2021

AbstractA regioselective ruthenium‐catalysed strategy for synthesising mono‐, ortho‐sulfonamidated β‐carboline derivatives using sulfonyl azide was accomplished by relying on the intrinsic directing property of β‐carbolines. This protocol is apt for all types of substitutions with compelling yields. We have investigated the reaction mechanism using ESI‐MS by arresting the intermediates associated with this selective transformation. The achieved molecules were also surfaced with potential percentage inhibition against cancer cell lines. In addition, practical and computational analysis on these new scaffolds demonstrated photophysical properties.
Odorant metabolism of the olfactory cleft mucus in idiopathic olfactory impairment patients and healthy volunteers
Authors: Ijichi Chiori , Wakabayashi Hidehiko , Sugiyama Shingo , Hayashi Kazuhiro , Ihara Yusuke , Nishijima Hironobu , Touhara Kazushige , Kondo Kenji 
Published: October 2021

AbstractBackgroundIt remains unclear whether the metabolic activity of nasal mucus in the olfactory and respiratory areas is different. Moreover, age‐ and olfaction‐related changes may affect metabolism.MethodsHexanal, octanal, and 2‐methylbutanal were selected for in vitro metabolism analysis and compared between the olfactory cleft and respiratory mucus of participants < 50‐year‐old with normal olfaction using gas chromatography mass spectrometry. The metabolic activity of hexanal in the olfactory cleft mucus was further compared between three groups, (1) normal olfaction, age < 50 years old, (2) normal olfaction, age ≥50 years old, and (3) idiopathic olfactory impairment. To characterize the enzyme(s) responsible for aldehyde reduction, we also tested if epalr22897estat and 3,5‐dichlorosalicylic acid, types of reductase inhibitors, affect metabolism.ResultsConversion of aldehydes to their corresponding alcohols was observed in the olfactory cleft and respiratory mucus. The metabolic production of hexanol, octanol, and 2‐methybutanol was significantly higher in the olfactory cleft mucus than in the respiratory mucus (p < 0.01). The metabolic conversion of hexanal to hexanol in the mucus of the idiopathic olfactory impairment group was significantly lower than that in the age‐matched normal olfaction group. Excluding the nicotinamide adenine dinucleotide phosphate (NADPH) regenerating system from the reaction mixture inhibited metabolism. The addition of either epalr22897estat or 3,5‐dichlorosalicylic acid did not inhibit this metabolic conversion.ConclusionsThe enzymatic metabolism of odorants in the olfactory cleft mucus is markedly higher than in the respiratory mucus and decreases in patients with idiopathic olfactory impairment.
The impact of diabetes on cognitive impairment and its progression to dementia
Authors: Dove Abigail , Shang Ying , Xu Weili , Grande Giulia , Laukka Erika J. , Fratiglioni Laura , Marseglia Anna 
Published: October 2021

AbstractIntroductionDiabetes is a well‐established risk factor for dementia, but its impact on the prodromal phase of dementia is unclear.MethodsCohorts of older adults who were cognitively healthy (n = 1840) or had cognitive impairment‐no dementia (CIND; n = 682) were followed over 12 years to detect incident CIND and dementia, respectively.ResultsPoorly controlled diabetes (glycated hemoglobin [HbA1c] ≥7.5%; reference = normoglycemia) was associated with double the risk of CIND (Cox regression multi‐adjusted hazard ratio [HR] 2.01, 95% confidence interval [CI] 1.13‐3.58) and triple the risk CIND progressing to dementia (HR 2.87, 95% CI 1.20‐6.85). Co‐morbid diabetes and heart disease doubled the risk of incident CIND and dementia, although neither disease conferred a significant risk of either outcome alone. Elevated systemic inflammation contributed to the diabetes‐associated increased dementia risk.ConclusionsDiabetes characterized by poor glycemic control or cardiovascular complications is related to a greater risk of the development and progression of cognitive impairment. Inflammation may play a role in these relationships.
Novel robust gain scheduled PID controller design usingDRregions
Authors: Rosinová Danica , Veselý Vojtech , Hypiusová Mária 
Published: October 2021

AbstractThis paper develops a new design procedure for robust output feedback gain scheduled and switched PID controller design for a linear parameter varying discrete‐time system with polytopic uncertainties. The proposed approach is based onDRregions for robust pole placement and allows to consider also other performance indices. The design procedure aims to design a robust PID gain scheduled and switched controller for polytopic gain scheduled and switched plant model such that the closed‐loop eigenvalues for fixed gain scheduled parameters are in the prescribedDRregion and the corresponding quadratic performance has the minimal value. The obtained design procedure can be also used to design a robust discrete‐time switched controller with arbitrarily switching law.
Identification of point source dischargers of per‐ and polyfluoroalkyl substances in the United States
Authors: Andrews David Q. , Hayes Jared , Stoiber Tasha , Brewer Bailey , Campbell Chris , Naidenko Olga V. 
Published: October 2021

AbstractDrinking water contamination with per‐ and polyfluoroalkyl substances (PFAS) poses a health risk for communities across the country. The vast majority of the water systems across the United States lack both the technology and the funds to filter out PFAS. Release of PFAS with industrial wastewater from a variety of facilities is a significant contributor to PFAS contamination of drinking water. Here, we provide a screening‐level analysis of the potential for environmental PFAS releases from contaminated sites, active industrial sites, wastewater treatment plants, and waste disposal sites (including active and inactive landfills) nationwide. With specific case studies from the US states of Michigan and California, we examine how testing has identified a large number of diverse PFAS sources. Testing results alongside the list of potential sources can be used to inform state‐ or local‐level investigations as well as aid in the development of effluent guidelines and industrial pretreatment programs.Article Impact StatementThe identification of point sources and establishing per‐ and polyfluoroalkyl substances (PFAS) effluent guidelines can help mitigate the PFAS contamination of drinking water.
Protective effects of 3,4',5,7‐tetrahydroxyflavone against squalene monohydroperoxide‐induced skin wrinkles and its green extraction using deep eutectic solvents
Authors: Lee Jong Woo , Kang Byungyoung , Park Junseong 
Published: October 2021

AbstractThree flavone derivatives, 3,4′,5,7‐tetrahydroxyflavone (3,4′,5,7‐THF) and their glycosides 3,4′,5,7‐tetrahydroxyflavone‐3‐rhamnoglucoside, and 3,4′,5,7‐tetrahydroxyflavone‐3‐glucoside, were identified by partial enzymatic conversion of Camellia sinensis seed extract (CSSE). 2,2‐Diphenyl‐1‐picrylhydrazyl radical scavenging activity of these compounds and lipid peroxidation inhibition effects of 3.4′,5,7‐THF were tested to evaluate their antioxidant properties. To investigate the effects of 3,4′,5,7‐THF on squalene monohydroperoxide (SQLOOH)‐induced wrinkle formation, the dorsal skin of SKH1 hairless mice was used. Four weeks of treatment with 3,4′,5,7‐THF reduced wrinkle formation, in contrast to that observed in the group treated with SQLOOH only. A green and simple method has been suggested for the extraction of 3,4′,5,7‐THF from CSSE hydrolysate with nine deep eutectic solvents. A mixture of choline chloride and xylose yielded the best extraction result. These findings suggest that 3,4′,5,7‐THF is a natural compound with potential application in preventing SQLOOH associated skin aging.
A MSALL quantitative method for the determination of Poloxamer 188 in rat plasma by UHPLC–Q‐TOF/MS and its application to pharmacokinetic study
Authors: Feng Yixuan , Li Lele , Li Yuxuan , Zhou Xinxin , Lin Xiaoying , Cui Yue , Zhu Heyun , Feng Bo 
Published: October 2021

AbstractPoloxamer (PL)188 is a commonly used pharmaceutical excipient with unique physicochemical properties. In this study, an MSALL quantitative method for the determination of PL188 in rat plasma by UHPLC–Q‐TOF/MS was developed and validated. PL188 was analyzed on PLRP‐S reversed‐phase column (50 × 4.6 mm, 8 μm, 1,000 Å) with mobile phase 0.1% formic acid–water and 0.1% formic acid in acetonitrile–isopropanol (2:3, v/v). The liner range was 0.1–10.0 μg/ml. A pharmacokinetic study was performed on rats at a dose of 5 mg/kg by intravenous injection. The pharmacokinetic parameters of intravenous injection were as follows: half‐life was 2.0 ± 1.1 h, volume of distribution was 5.1 ± 3.2 L/kg, area under the concentration–time curve was 3.0 ± 0.6 μg/L h and clearance was 1.7 ± 0.3 L/h/kg. The results indicated that PL188 could be rapidly distributed to tissues with a high clearance rate. This study can provide a good reference for the further study of PL188.
Peptides Derived from Vascular Endothelial Growth Factor B Show Potent Binding to Neuropilin‐1
Authors: Mota Filipa , Yelland Tamas , Hutton Jennie A. , Parker Jennifer , Patsiarika Anastasia , Chan A. W. Edith , O'Leary Andrew , Fotinou Constantina , Martin John F. , Zachary Ian C. , Djordjevic Snezana , Frankel Paul , Selwood David L. 
Published: October 2021

AbstractVascular endothelial growth factors (VEGFs) regulate significant pathways in angiogenesis, myocardial and neuronal protection, metabolism, and cancer progression. The VEGF‐B growth factor is involved in cell survival, anti‐apoptotic and antioxidant mechanisms, through binding to VEGF receptor 1 and neuropilin‐1 (NRP1). We employed surface plasmon resonance technology and X‐ray crystallography to analyse the molecular basis of the interaction between VEGF‐B and the b1 domain of NRP1, and developed VEGF‐B C‐terminus derived peptides to be used as chemical tools for studying VEGF‐B ‐ NRP1 related pathways. Peptide lipidation was used as a means to stabilise the peptides. VEGF‐B‐derived peptides containing a C‐terminal arginine show potent binding to NRP1‐b1. Peptide lipidation increased binding residence time and improved plasma stability. A crystal structure of a peptide with NRP1 demonstrated that VEGF‐B peptides bind at the canonical C‐terminal arginine binding site. VEGF‐B C‐terminus imparts higher affinity for NRP1 than the corresponding VEGF‐A165 region. This tight binding may impact on the activity and selectivity of the full‐length protein. The VEGF‐B167 derived peptides were more effective than VEGF‐A165 peptides in blocking functional phosphorylation events. Blockers of VEGF‐B function have potential applications in diabetes and non‐alcoholic fatty liver disease.
Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review
Authors: Pantaleão Simone Q. , Fernandes Philipe O. , Gonçalves José Eduardo , Maltarollo Vinícius G. , Honorio Kathia Maria 
Published: October 2021

AbstractThis review presents the main aspects related to pharmacokinetic properties, which are essential for the efficacy and safety of drugs. This topic is very important because the analysis of pharmacokinetic aspects in the initial design stages of drug candidates can increase the chances of success for the entire process. In this scenario, experimental and in silico techniques have been widely used. Due to the difficulties encountered with the use of some experimental tests to determine pharmacokinetic properties, several in silico tools have been developed and have shown promising results. Therefore, in this review, we address the main free tools/servers that have been used in this area, as well as some cases of application. Finally, we present some studies that employ a multidisciplinary approach with synergy between in silico, in vitro, and in vivo techniques to assess ADME properties of bioactive substances, achieving successful results in drug discovery and design.
Seeded Growth of Multipod ZIF‐8 Nanostructures
Authors: Bu Jidong , Yao Chenxue , Li Fengting , Hou Shifeng 
Published: October 2021

AbstractWe report a facile method to fabricate ZIF‐8 nanostructures in the form of multipods. The success of this work relies on the use of seeded growth as the synthetic strategy, where uniform polyhedral ZIF‐8 nanocrystals were prepared initially and served as seeds, followed by the addition of Zn precursor and imidazole to allow preferable growth to specific facets of the seeds and thus the formation of multipod structure. In particular, we were able to rationally synthesize ZIF‐8 nanostructures in the form of hexapod and dendrite, respectively, using the similar seeded growth procedure, when the seed morphology was cube and truncated rhombic dodecahedron, respectively. Systematic studies were carried out to reveal the effect of several reaction parameters (e. g., seed amount and CTAB concentration) on growth pattern and thus product morphology. The current work demonstrates the feasibility and versatility of seeded growth for synthesis of colloidal metal‐organic frameworks (CMOFs) with multipod structure and could find important use in fabrication of CMOFs with controlled sizes and shapes.
A new design of transformerless, non‐isolated, high step‐up DC‐DC converter with hybrid fuzzy logic MPPT controller
Authors: Basha Chakarajamula Hussaian , Murali Matcha 
Published: October 2021

AbstractUnder Partial Shading Conditions (PSCs), the solar PV nonlinear characteristics consist of multiple Maximum Power Points (MPPs). As a result, it is very difficult to extract the peak power of the solar PV. In this article, an Improved Grey Wolf Optimization‐based Fuzzy Logic Controller (IGWO‐FLC) is proposed to track the MPP of the solar PV. The advantages of the proposed hybrid soft computing Maximum Power Point Tracking (MPPT) controller are high accuracy, very less oscillations across MPP, and high tracking speed. Also, a new transformerless, high step‐up, Non‐isolated Boost Converter (NIBC) is introduced in this work to improve the voltage profile of the solar PV system at different atmospheric conditions. The introduced converter circuit makes use of the network LC3D3 to improve the voltage conversion ratio, reduced voltage stress on switches, and universal input voltage. In addition, the network LC3D3 acts as a filter to reduce the output power ripples of the converter. The steady‐state performance of the proposed converter is analyzed at Continuous Conduction Mode (CCM) and Discontinuous Conduction Mode (DCM) of operations. The MATLAB/Simulink window is used to validate the proposed PV fed NIBC system at uniform and different PSCs of the solar PV. Also, the NIBC performance is investigated by applying an M62252P8020 type programmable DC‐source.
Glucocorticoid‐induced osteonecrosis in systemic lupus erythematosus patients
Authors: Kaneko Kaichi , Chen Hao , Kaufman Matthew , Sverdlov Isaak , Stein Emily M. , Park‐Min Kyung‐Hyun 
Published: October 2021

AbstractOsteonecrosis (ON) is a complex and multifactorial complication of systemic lupus erythematosus (SLE). ON is a devastating condition that causes severe pain and compromises the quality of life. The prevalence of ON in SLE patients is variable, ranging from 1.7% to 52%. However, the pathophysiology and risk factors for ON in patients with SLE have not yet been fully determined. Several mechanisms for SLE patients’ propensity to develop ON have been proposed. Glucocorticoid is a widely used therapeutic option for SLE patients and high‐dose glucocorticoid therapy in SLE patients is strongly associated with the development of ON. Although the hips and knees are the most commonly affected areas, it may be present at multiple anatomical locations. Clinically, ON often remains undetected until patients feel discomfort and pain at specific sites at which point the process of bone death is already advanced. However, strategies for prevention and options for treatment are limited. Here, we review the epidemiology, risk factors, diagnosis, and treatment options for glucocorticoid‐induced ON, with a specific focus on patients with SLE.
Heating and acceleration of ions with Kappa distribution functions by low‐frequency Alfvén wave
Authors: Li Kehua , Li Jingchun , Lu Xingqiang , Chen Shijia 
Published: October 2021

AbstractHeating and acceleration of ions with Kappa distribution functions (with parameter ) in low‐beta plasmas, by a low‐frequency Alfvén wave, is investigated using test‐particle simulations, yielding interesting new results. As long as the Alfvén wave amplitude is sufficiently large, the computed net heating energy of ions becomes independent of the wave frequency and amplitude, always approaching the same value of . The eventual energy of ions is dictated only by the initial ion energy and the ratio of the magnetic field energy density to the plasma density. The heating effect of the Kappa ions increases with . During the heating process, the ions are picked up by the Alfvén wave and pitch angle scattered, forming a quasi‐isotropic spherical shell velocity distribution. The Kappa ions are accelerated in the parallel direction, reaching a bulk flow speed roughly equal to the local Alfvén speed. Higher ‐value in the initial Kappa distribution leads to faster saturation. The above results may explain certain features of the ion heating and acceleration in the solar wind and corona.
Stressor richness intensifies productivity loss but mitigates biodiversity loss
Authors: Holmes Mark , Spaak Jurg Werner , De Laender Frederik 
Published: October 2021

AbstractEcosystems are subject to a multitude of anthropogenic environmental changes. Experimental research in the field of multiple stressors has typically involved varying the number of stressors, here termed stressor richness, but without controlling for total stressor intensity. Mistaking stressor intensity effects for stressor richness effects can misinform management decisions when there is a trade‐off between mitigating these two factors. We incorporate multiple stressors into three community models and show that, at a fixed total stressor intensity, increasing stressor richness aggravates joint stressor effects on ecosystem functioning, but reduces effects on species persistence and composition. In addition, stressor richness weakens the positive selection and negative complementarity effects on ecosystem function. We identify the among‐species variation of stressor effects on traits as a key determinant of the resulting community‐level stressor effects. Taken together, our results unravel the mechanisms linking multiple environmental changes to biodiversity and ecosystem function.
Fusing multidimensional hierarchical information into finer spatial landscape metrics
Authors: Fu Gang , Xiao Nengwen , Qi Yue , Wang Wei , Li Junsheng , Zhao Caiyun , Cao Ming , Xia Juyi 
Published: October 2021

AbstractOne of the core issues of ecology is to understand the effects of landscape patterns on ecological processes. For this, we need to accurately capture changes in the fine landscape structures to avoid losing information about spatial heterogeneity. The landscape pattern indicators (LPIs) can characterize the spatial structures and give some information about landscape patterns. However, researches on LPIs had mainly focused on the horizontal structure of landscape patterns, while few studies addressed vertical relationships between the levels of hierarchical landscape structures. Thus, the ignorance of the vertical hierarchical relationships may cause serious biases and reduce LPIs' representational ability and accuracy. The hierarchy theory about the landscape pattern structures could notably reduce the loss of hierarchical information, and the information entropy could quantitatively describe the vertical status of landscape units. Therefore, we established a new multidimensional fusion method of LPIs based on hierarchy theory and information entropy. Here, we created a general fusion formula for commonly used simple LPIs based on two‐grade land use data (whose land use classification system contains two grades/levels) and derived 3 fusion landscape pattern indicators (FLIs) with a case study. The results show that the information about fine spatial structure is captured by the fusion method. The regions with the most differences between the FLIs and the traditional LPIs are those with the largest vertical structure such as the ecological ecotones, where vertical structure was ignored before. The FLIs have a finer spatial representational ability and accuracy, not only retaining the main trend information of first‐grade land use data, but also containing the internal detail information of second‐grade land use data. Capturing finer spatial information of landscape patterns should encourage the application of fusion method, which should be suitable for more LPIs or more dimensional data. And the increased accuracy of FLIs will improve ecological models that rely on finer spatial information.
Phenotypic convergence in a natural Daphnia population acclimated to low temperature
Authors: Werner Christian , Otte Kathrin A. , von Elert Eric 
Published: October 2021

AbstractFluidity of a given membrane decreases at lower ambient temperatures, whereas it rises at increasing temperatures, which is achieved through changes in membrane lipid composition. In consistence with homeoviscous adaptation theory, lower temperatures result in increased tissue concentrations of polyunsaturated fatty acids (PUFAs) in Daphnia magna, suggesting a higher PUFA requirement at lower temperatures. However, so far homeoviscous adaptation has been suggested for single or geographically separated Daphnia genotypes only. Here, we investigated changes in relative fatty acid (FA) tissue concentrations in response to a lower temperature (15°C) within a D. magna population. We determined juvenile growth rates (JGR) and FA patterns of 14 genotypes that were grown on Chlamydomonas klinobasis at 15°C and 20°C. We report significant differences of JGR and the relative body content of various FAs between genotypes at either temperature and between temperatures. Based on slopes of reaction norms, we found genotype‐specific changes in FA profiles between temperatures suggesting that genotypes have different strategies to cope with changing temperatures. In a hierarchical clustering analysis, we grouped genotypes according to differences in direction and magnitude of changes in relative FA content, which resulted in three clusters of genotypes following different patterns of changes in FA composition. These patterns suggest a lower importance of the PUFA eicosapentaenoic acid (EPA, C20:5ω3) than previously assumed. We calculated an unsaturation index (UI) as a proxy for membrane fluidity at 15°C, and we neither found significant differences for this UI nor for fitness, measured as JGR, between the three genotype clusters. We conclude that these three genotype clusters represent different physiological solutions to temperature changes by altering the relative share of different FAs, but that their phenotypes converge with respect to membrane fluidity and JGR. These clusters will be subjected to different degrees of PUFA limitation when sharing the same diet.