bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of regioregularity on the solubility parameters of poly(3‐hexylthiophene)
Authors: King McKenna , Gottlieb Danielle , Boucher David 
Published: June 2022

AbstractThe solubilities of four P3HT samples of varying regioregularity (rr = 58%, 86%, 93%, and 96%) are measured in 18 organic solvents, and the solubility data are used to calculate the partial solubility parameters (SPs) (δD,δP,δH) of the samples using the functional solubility parameter (FSP) approach. The FSP results show that theδPandδHparameters increase with increasing regioregularity. The results reveal that the anomalously largeδPandδHSPs regioregular P3HT previously reported in the literature are attributable to the microstructure (regioregularity) of the P3HT polymer, and that as that as the regioregularity of P3HT increases the polymer can engage in stronger associative interactions with the solvent. Complementary computational analyses of hexamer model systems using Gaussian16 and AIMll software, reveal variations in electronic characteristics and topological parameters consistent with the regioregular‐dependent increases inδPandδH.This research may aid in modifying the fundamental and/or practical framework of SP theory to account for the effects of polymer microstructure and polymorphism.
Demethylzeylasteral reduces the level of proteinuria in diabetic nephropathy: Screening of network pharmacology and verification by animal experiment
Authors: Xu Lengnan , Zhao Ban , Yang Liping , Dong Xinyi , Yang Xue , Mao Yonghui 
Published: June 2022

AbstractThis study aimed to use network pharmacology to detail the natural components isolated from Triptergium wilfordii Hook F (TwHF) and examine the effect of the main component (demethylzeylasteral, DEM) on rat models of diabetic nephropathy (DN). In this study, we used network pharmacology to detail the natural components isolated from TwHF, referenced a gene library when screening for components effective in the management of DN, and DEM was confirmed in DN rats. All data were analyzed using the Discovery Studio 4.5 System and the systems Dock online docking method platform. All 24 rats were divided into 4 groups: control, DN, TwHF, and DEM. Blood and urine samples were tested at 0, 8, and 12 weeks. Renal histopathological changes were scored. Network pharmacology indicated that 370 compounds and 46 small molecules (including DEM) were biologically active constituents of TwHF, mainly affecting the inflammatory response through PI3K‐Akt and Jak–STAT pathways. Proteinuria in the TwHF and DEM groups was significantly lower than in the DN group (p ≤ .001), and the decrease in proteinuria in the DEM group was more obvious than in the TwHF group (p = .004). The tubular interstitial scores were better in the DEM group than in the TwHF and DN groups. These results indicate that DEM effectively reduced proteinuria and alleviated the tubular interstitial changes in rat models of DN, which may be provide a scientific foundation for the development of novel drugs for treatment of DN.
Effects of temperature on the fitness of the alfalfa weevil (Hypera postica)
Authors: Levi‐Mourao Alexandre , Madeira Filipe , Meseguer Roberto , Pons Xavier 
Published: June 2022

AbstractBackgroundTemperature directly influences the survival, development and reproduction of insects and limits their biological activity. The alfalfa weevil (Hypera postica Gyllenhal) is a destructive pest of alfalfa crops in Spain and in most of the alfalfa production countries. The knowledge of how temperature affects the fitness of this pest can be used to predict its activity in current or forecasted environmental conditions and to develop more accurate control strategies.ResultsWe evaluated the fitness of alfalfa weevil at eight constant temperatures (8–36 °C) at 4 °C intervals by using life tables and models for the description of temperature‐dependent development rates. We found that most of the parameters we studied were temperature dependent. Development was observed at all temperatures. However, postembryonic survival was optimal at 16 °C but very low at 36 °C. Adults did not reproduce at 8, 32 or 36 °C. The highest fecundity and net reproductive rate were observed at 20 °C, but the highest intrinsic rate of increase occurred at 24 °C. We predicted the phenology of the pest based on the heat needed for development, the cumulative degree days from the beginning of October to the end of May, and the day length in the study region.ConclusionOur prediction was validated using field data reporting the first occurrence of larval instars and adults, revealing that no more than two generations are possible within an annual cycle. In a hypothetical case where average monthly temperatures increase by 1–2 °C, the number of generations would not change. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Reliability investigation of exponentiated Weibull distribution using IPL through numerical and artificial neural network modeling
Authors: Shafiq Anum , Çolak Andaç Batur , Sindhu Tabassum Naz 
Published: June 2022

AbstractIn current investigation, a novel implementation of intelligent numerical computing solver depending on artificial neural networks (ANN) has been provided to interpret failure function (FF), reliability function (RF), hazard rate function (HRF), Mils ratio (MR), and mean time to failure (MTTF). This study investigates a reliability model centered on the exponentiated Weibull distribution (EWD) and the inverse power law (IPL) model employing the ANN model. The nonmonotonic failure rate can be modeled via this distribution. A data set for the proposed ANN has been generated for various scenarios of (Exponentiated Weibull Inverse Power Law Distribution) EWIPLD model by variation of involved pertinent parameters via the Galerkin weighted residual method (GWRM). Levenberg–Marquard training algorithm has been used in the multi‐layer perceptron (MLP) network model developed with 10 nodes in the hidden layer. The Coefficient of Determination (R) value for the ANN model has been obtained as 0.9999. The findings obtained, revealed that ANNs are an excellent technique that can be applied to predict reliability measures in conjunction with the right statistical model.
Detoxification mechanism of vinegar‐processed Kansui revealed by systematic phytochemical analysis using ultrahigh‐performance liquid chromatography diode array detection tandem mass spectrometry, ultrahigh‐performance liquid chromatography high‐resolution mass spectrometry and in silico drug target identification
Authors: Liu Lian , Li Jiangchun , Lv Jizhong , Jiang Haipeng , Chen Fen‐er 
Published: June 2022

RationaleThe dried roots of Euphorbia kansui L., known as Kansui, are used to treat ascites and edema in traditional Chinese medicine. However, the toxicity of this herb has seriously restricted its clinical application. A unique vinegar‐processing method has been used to reduce its toxicity since the time of ancient China. However, the detoxification mechanism underlying such vinegar processing has not been fully revealed. To find the answer, the process‐induced changes in components should be carefully investigated.MethodsWe performed a systematic analysis of chemical components in raw and vinegar‐processed Kansui using ultrahigh‐performance liquid chromatography (UHPLC) diode array detection tandem mass spectrometry and UHPLC high‐resolution mass spectrometry. Thirty‐one chemical components in raw and vinegar‐processed Kansui were found, the chemical structures of 28 components among them were proposed and the process‐induced changes in components were then investigated.ResultsA comprehensive conclusion about the process‐induced chemical change was drawn. It was found that jatrophane‐type diterpenoids decreased markedly after vinegar processing, while ingenane‐type diterpenoids were retained during vinegar processing. In silico drug target identification gave hints that jatrophane‐type diterpenoids, which decreased markedly during vinegar processing, may have more intense toxicity involving cholinesterase and mitogen‐activated protein kinases, while ingenane‐type diterpenoids, which were retained during vinegar processing, may have a more intense therapeutic effect involving carbonic anhydrase.ConclusionsThe possible detoxification mechanism of vinegar‐processed Kansui is presented. The research has significance for the therapeutic/toxic chemical basis of Kansui. Also, it has significance for drug discovery from terpenoids within the herb.
Characterization of growth hormone secretagogue small molecule ibutamoren (MK‐0677) and its possible metabolites in thoroughbred horses for doping control
Authors: Philip Moses , Karakka Kal Abdul Khader , Subhahar Michael Benedict , Karatt Tajudheen K. , Mathew Binoy , Koshy Shino Ann 
Published: June 2022

RationaleIt is important to remember that performance‐enhancing agents such as non‐peptide growth hormone secretagogues present a significant risk of abuse. Ibutamoren (MK‐0677) is a potent, long‐acting, selective non‐peptide growth hormone secretagogue that can be taken orally.MethodsThis study examines ibutamoren and its metabolites in thoroughbred horses after oral administration. Liquid chromatography/high‐resolution mass spectrometry was used to determine the probable structures of the detected metabolites.ResultsIn this study, 22 metabolites of ibutamoren were identified (17 phase I and 5 phase II). Oxidation of ibutamoren leads to hydroxylated metabolites (mono and di). The study also detected dissociated side chains (benzyl group and 2‐amino‐2‐methylpropanamide) and hydrogenated metabolites. The glucuronic acid conjugated analogs of ibutamoren were detected during phase II of the study, but no sulfonic acid conjugated analogs were observed. The major metabolites can be detected up to 96 hours after a single dose, and ibutamoren can persist for up to 72 hours.ConclusionsThese findings will aid in the detection of ibutamoren and the detection of its illegal use in competitive sports.
Adaptive robust path tracking control for autonomous vehicles with measurement noise
Authors: Li Huiqian , Huang Jin , Yang Zeyu , Hu Zhanyi , Yang Diange , Zhong Zhihua 
Published: June 2022

AbstractIn practical autonomous vehicle systems, model uncertainty and measurement noise are two challenging factors that deteriorate path tracking accuracy and system stability. This article proposes an adaptive robust controller to deal with these two factors and enhance path tracking accuracy. First, the path tracking model considering time‐varying uncertainty is built and represented as nominal and uncertain portions. Second, the control law is designed separately for both portions. A linear quadratic regulator controller is utilized to stabilize the nominal system. An additional robust control law is proposed to suppress the matched uncertainty and measurement noise, with an adaptive scheme aimed at estimating the bound outside uncertainty. The path tracking system with the developed control law is proved to possess uniform boundedness, uniform ultimate boundedness properties, and robustness against mismatched uncertainty. Eventually, the effectiveness of the developed controller is validated using both MATLAB/Simulink‐TruckSim co‐simulation and an autonomous vehicle platform. The results demonstrate that the designed adaptive robust control can achieve accurate path tracking in the presence of time‐varying uncertainty and measurement noise.
Integration of algae treatment with hydroponic crop waste to reduce impact of nutrient waste streams
Authors: Cowan Nicholas , White Stella , Olszewska Justyna , Dobel Anne , Sim Gavin , Eades Lorna J. , Skiba Ute 
Published: June 2022

AbstractIntroductionControlled environment agriculture (CEA) is expanding globally, but little is known about nutrient losses within these systems, or how to reduce subsequent pollution. This experiment investigates the potential to treat wastewater from hydroponically produced lettuce via the application of algae.Materials and MethodsA total of 132 heads of lettuce were produced in the 4‐layer nutrient film technique (NFT) vertical farming rack. Waste from the hydroponic system was used to cultivate naturally occurring algae. Nitrogen (N), phosphorus (P) and other trace elements (Ca, Co, Cu, Fe, K, Mg, Mn, Mo, Ni and Zn) were measured at each stage of production.ResultsOverall the nutrient use efficiency (NUE) of applied mineral nitrogen (N) and phosphorus (P) was 88.7% and 59.4%. After algae treatment of waste streams the full system NUE of N and P was 99.5% and 95.0% respectively, thus significantly reducing waste heading for sewage. It was found that the crops consumed large quantities of Ca, Cu, Fe and Zn from the rooting sponges used in this experiment, which may have become available due to mineralization and the presence of slightly acidic fertiliser solution. The overall waste produced by the rooting sponge is of concern regarding the full NUE of the system, accounting for approximately 53% and 6% of the total N and P input into the system.ConclusionsThis study highlights that treating wastewater streams from controlled environment agriculture (CEA) methods such as hydroponics with algae is successful and easy to achieve with little effort. Future efforts by researchers and the CEA industry to better manage nutrient streams is recommended to improve the environmental credentials of developing CEA systems.
Advising in science education: Critiquing where we have been, moving toward an equitable and holistic advising approach
Authors: Suárez Enrique , Beatty Cameron C. 
Published: June 2022

AbstractThis article explores and wrestles with the various discourses that arise when considering why it is important to advise students from an assets‐based and holistic approach into science‐related majors and careers. Our hope is to inform how and why it is important to advise students into science‐related careers, specifically, and Science, Technology, Engineering, and Mathematics (STEM) fields, more generally, from an ethical and justice‐oriented approach. We begin with a review of empirical literature that highlights the different approaches to advising and the challenges racially and gender‐minoritized students often face in STEM fields. We then review contemporary research from science education that document the hostilities that racially and gender‐minoritized students experience in undergraduate and graduate science programs. We find the intersection of these two subfields to be productive for elucidating multilevel, context‐dependent strategies, which can redress the inexcusable and alarming underrepresentation and exclusion of racially minoritized peoples in science programs and careers in the United States. We end by contemplating the ethical question of how science programs, careers, and the broader field would need to change, to keep historically minoritized students from experiencing further material and epistemological violence. We argue that, without this reimagination, even the most effective advising models will only ensure that more racially and gender‐minoritized students are sacrificed on the altar of “equality” for the sake of the economic and geopolitical needs of the state.
Peroxidase Effect of Ce2(WO4)3 Nanoparticles to Detection of Glucose as a Colorimetric Sensor
Authors: Alaei Aida , Hosseini Morteza , Shokri Ehsan , Ganjali Mohammad Reza 
Published: June 2022

AbstractAbnormal glucose level can cause irreversible damage, including diabetes. In this work, a sensor was designed that mimics the peroxidase property of the natural horseradish peroxidase (HRP). The proposed sensor detects the presence of glucose through the reduction of hydrogen peroxide (H2O2) and the oxidation of tetramethylbenzidine (TMB). This sensor shows linear behaviour in the range of 0.001–50 μM with a limit of detection down to 0.8 nM. In addition, a paper‐based format of this sensing platform was performed which enables fast and sensitive detection and further reduces the expenses. In this method the linear behaviour of the sensor is between 0.005–40 μM and the detection limit is as low as 2.4 nM. The glucose detection in human saliva was also performed, showing an acceptable accuracy. Thus the sensor is practically suitable for the non‐invasive detection of glucose.
A Convenient Catalytic Method for the Synthesis of Pyridines with Henna and Pyrazole Moieties using Cooperative Vinylogous Anomeric‐Based Oxidation
Authors: Dashteh Mohammad , Afsar Javad , Baghery Saeed , Zolfigol Mohammad Ali , Khazaei Ardeshir , Moosavi‐Zare Ahmad Reza , Alonso Diego A. , Khoshnood Abbas 
Published: June 2022

AbstractIn this work, [Fe3O4@SiO2(CH2)3][DABCO‐H][C(CN)3]2 was prepared, identified by various analyses such as FT‐IR, EDX, SEM coupled EDX (SEM mapping), XRD, FE‐SEM, TEM, TGA, DTG, ICP and VSM and used as a nanomagnetic catalyst for the synthesis of henna‐based benzopyrazolo[3,4‐b]quinolindiones via cooperative vinylogous anomeric based oxidation under solvent‐free condition. Some of these products are new and reported for the first time.
Applications of Oxone® in Organic Synthesis: An Emerging Green Reagent of Modern Era
Authors: Alvi Shakeel , Jayant Vikrant , Ali Rashid 
Published: June 2022

AbstractPresently, the major cornerstone of the research community is to develop green as well as sustainable protocols involving inexpensive catalysts and/or reagents without the usage of hazardous solvents under globally friendlier conditions in order to shelter both mankind and environment. Therefore, needless to say, there is always a supreme need to surrogate the older, costlier and unsafe strategies with the novel economically inexpensive and environmental benign ones. To this context, in recent past, oxone® (triple salt), a very cheap oxidizing agent having the chemical formula 2KHSO5 ⋅ KHSO4 ⋅ K2SO4 and enwrapped with the unique characteristics like easy handling, non‐toxic, safe, eco‐friendly, non‐polluting, stable, and nicely soluble in water, in addition to its utility for large‐scale synthesis etc. Bearing the importance of this versatile reagent in mind, we envisioned to update the recent advances made in this direction. Consequently, in this particular review article, the developments made in the arena of oxone chemistry covering from 2013 to 2020 have been revealed as no report appeared in the literature after a wonderful Chem. Rev. published by the group of Hussain in 2013. Herein, a comprehensive detail of a variety of oxidative transformations along with the complete plausible mechanistic steps have been exposed. For sure, present review would be a very helpful tool to the scientific community not only working in the area of organic synthesis but also to the researchers working in other branches of science and technologies as well.
The Colorimetric Sensor Based on Azobenzenes with Sulfonamide Group for Fluorine Ion and Moisture Detection in Organic Solvents
Authors: Wu Ping , Ren Hong , Han Dandan , Yu Shihua 
Published: June 2022

AbstractTwo azo dyes were prepared with mono and bis sulfonamide groups ortho diazo group respectively, 2‐(4‐methylbenzenesulfonamido)‐2′‐amino azobenzene (L1) and 2,2′‐bis 4‐methylbenzenesulfonamido azobenzene (L2), that recognized F− anions with color change from yellow to orange red in aprotic solvents. The quantitative detection of F− via UV absorption intensity is available, as the plot of absorbance of L2 vs F− (37.5∼150 μM) concentration showed a good linear relation in DMF solution (R2=0.9960). The low detection limit of L2 for F− is 8.74 μM. The binding mechanism of L1 and L2 with F− in aprotic solvents solvent was supposed as sulfonamide group reacted with two fluoride anions along with the deprotonating process, which has demonstrated by UV‐Vis spectra, 1HNMR titration, DFT calculation and relative chemical reaction. The deprotonated (anionic) forms of L2 combined with F− are re‐protonated in present of water. The L2‐F have been used as colorimetric sensors exhibiting high sensitivity for water in DMSO, DMF, CH3CN, and THF with the detection limit of 0.0107 %, 0.0116 %, 0.0013 % and 0.0032 wt%, respectively.
Influence of the Precursors Selection on the Porous Structure and Adsorption Properties of C/g‐C3N4 Composites
Authors: Pan Jia , Yu Qingbo , Ren Xinxin , Wang Qingping , Li Yuqi , Shi Naishen 
Published: June 2022

AbstractThe properties of materials will be limited by their microstructure, including the structure of their precursors. Here, we used two kinds of nonionic surfactants, polyvinyl alcohol (PVA) and polyvinyl pyrrolidone (PVP) as carbon sources, combined with dicyandiamide as precursors, prepared C/g‐C3N4 composites by simple hydrothermal method, and studied the influence of the interaction between the precursors on the structure and adsorption properties of the materials. −OH in PVA and −C=O in PVP interact with ‐NH2 in dicyandiamide, which made the calcined C/g‐C3N4 composites form more pore structure than the composites without surfactant, thus increasing the specific surface area and improving the adsorption performance. The interaction between PVP and dicyandiamide was stronger than that between PVA and dicyandiamide, so CPVP/g‐C3N4 showed the best adsorption performance. When the concentration of MB was 20 mg/L, the adsorption capacity of CPVP/g‐C3N4 was 18.73 times that of the original g‐C3N4.
High‐Efficiency Adsorption Performance of Cobalt Alginate/ Graphene Oxide Aerogel Prepared by Green Method for Methylene Blue
Authors: Sun Yaohui , Li Yanhui , Chen Bing , Cui Mingfei , Xu Wenshuo , Li Liubo , Wang Mingzhen , Zhang Yang , Chen Kewei , Du Qiuju , Wang Yuqi , Pi Xinxin 
Published: June 2022

AbstractIn this paper, cobalt alginate/graphene oxide (CA/GO) aerogel composites were prepared by wet spinning and vacuum freezing. The cobalt ion only ion‐pairs with the carboxyl ion in the alginate, and other groups such as hydroxyl were not combined with cobalt ions, generating free hydroxyl, and thus improving the adsorption performance and recyclability of the composite material. The adsorption properties of CA/GO aerogels gradually improved with the increase of pH. The maximum adsorption capacity of CA/GO aerogel at 298 K was 294.18 mg.g−1, and the adsorption process of methylene blue (MB) on CA/GO aerogel conformed to Langmuir isotherm model and pseudo‐second‐order model. The adsorption of MB on CA/GO is mainly attributed to electrostatic attraction, hydrogen bonding and π‐π interaction. Thermodynamic analysis showed that the adsorption process was both spontaneous and exothermic. After the CA/GO aerogel was reused for 5 times, the removal rate reached as high as 80.256 %. Compared with other adsorbents, the prepared adsorbent was proven to be provided with good removal capacity for MB, and expected to be widely applied to the adsorption treatment of MB wastewater.
Mo‐Doped Sulfur‐Vacancy‐Rich V1.11S2 Nanosheets for Efficient Hydrogen Evolution
Authors: Chen Qiuyue , An Xuguang , Wu Xiaoqiang , Zhang Jing , Yao Weitang , Sun Chenghua , Wang Qingyuan , Kong Qingquan 
Published: June 2022

AbstractHigh‐performance low‐cost hydrogen evolution electrocatalysts are urgently demanded for hydrogen production by water splitting. Herein, we report that an efficient defect engineering strategy, NaBH4 treatment, was employed to promote the HER activity of pre‐synthesized Mo‐doped V1.11S2 nanosheets. The abundant sulfur vacancies enable Mo‐doped V1.11S2 petaloid nanosheets with a low overpotential of 160 mV and a small Tafel slope of 46.2 mV dec−1 at 10 mA cm−2 to drive the HER, as well as excellent long‐term stability in 0.5 mol L−1 H2SO4. The outstanding electrocatalytic performance can be attributed to the large electrochemical surface area and low charge transfer resistance.