bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neurofeedback training improves anxiety trait and depressive symptom in GAD
Authors: Hou Yue , Zhang Shuqin , Li Ning , Huang Zhaoyang , Wang Li , Wang Yuping 
Published: January 2021

AbstractObjectiveTo investigate the effectiveness of alpha activity neurofeedback training over the parietal lobe in GAD patients.MethodsTwenty‐six female patients who had been diagnosed as GAD according to the Diagnostic and Statistical Manual of Mental Disorders (5th edition, DSM‐V) criteria were included in this study. Patients were randomized into two groups: the left parietal lobe training group (LPL group, n = 13) and the right parietal lobe training group (RPL group, n = 13), and then received ten 40‐minute alpha training sessions in the relevant area. Evaluations included severity of anxiety (by State‐Trait Anxiety Inventory, STAI) and depression (by Beck Depression Inventory, BDI‐II) after the fifth training session and the last training session.ResultsThe scores of STAI‐S decreased significantly two weeks after the fifth training session in both groups (LPL group: from 47.15 ± 10.65 to 38.69 ± 8.78, p<.05; RPL group: from 44.92 ± 12.37 to 37.31 ± 6.41, p < .05) and decreased further at the four weeks’ time point after the last training session (LPL group: 35.15 ± 9.24; RPL group: 29.85 ± 6.18). Compared with baseline, the scores of STAI‐T, BDI‐II and ISI decrease at two weeks, no significant difference found between LPL group and RPL group. The scores of STAI‐T, BDI‐II and ISI decreased at four weeks when compared with two weeks, and no significant difference found between LPL group and RPL group.ConclusionNeurofeedback training of alpha activity over the parietal lobe is effective in GAD patients, especially the anxiety trait and depressive symptoms.
Guidelines for the development of educational games to motivate the learning of theoretical concepts in Engineering and Computing courses
Authors: Yuxuan Chen , Souza Rogéria C. G. , Contessoto Allan G. , Amorim Anderson R. 
Published: January 2021

AbstractEducational software, especially gaming, have been the target of research in different areas due to their potential benefits in promoting more dynamic, interactive, and motivating learning. The use of educational games for teaching in Engineering and Computing courses, such as Electrical Engineering, Computer Engineering, Software Engineering, and Computer Science, given the familiarity of these students with computers, can promote greater engagement in the study of theoretical concepts. However, existing educational games still lack the good motivational quality considered essential to ensure real learning. In this context, this paper defines guidelines that address the development of educational games focusing on motivational quality. To support the definition of these guidelines, different motivational methods, together with the attributes that can be improved in a student such as autonomy, effort, and overcoming, were analyzed. These guidelines were applied in the development of an educational game prototype as proof of concept to confirm its effective applicability and its contributions to motivate students. The prototype was assessed by 118 students of the higher education in Computing for 15 days. The majority of participants in the assessment process attested that the prototype meets the motivational quality subcriteria, promoting fun (55%), challenge (68%), social interaction (59%), and feeling of satisfaction (74%). It was then possible to verify its attendance to the desired motivational quality and attest to the potential of the established guidelines.
Membrane‐Supported Liquid‐Liquid Extraction – Where Do We Stand Today?
Authors: Riedl Wolfgang 
Published: January 2021

AbstractThanks to advances in materials science and manufacturing technology, membranes are now available for stable liquid‐liquid extraction processes. Rigorous calculation models can be used to calculate the membrane areas required for a specific separation task as well as to optimize the module design. Rapid tests can determine the basic suitability and kinetic parameters. Thus, the general requirements for exploiting the specific advantages of this separation technology in technical applications are fulfilled.
Heartech® left ventricular partitioning device improves left ventricular systolic function of patients with chronic heart failure post‐myocardial infarction at 1‐year follow‐up
Authors: Su Xiuxiu , Yang Wenbo , Zhu Zhengbin , Zhang Ruiyan , Fang Yuehua 
Published: January 2021

AbstractObjectivesThis study presents 1‐year follow‐up data of echocardiographic outcomes in patients who received the Heartech® left ventricular (LV) partitioning device (LVPD) (Xinrui Medical Equipment Co. Ltd., Shanghai, China).BackgroundOur first‐in‐man study of the Heartech® LVPD confirmed its safety and efficacy in patients with chronic heart failure (HF) post‐myocardial infarction (MI) 1 month post‐implantation. This subsequent study reports the echocardiographic outcomes of these patients at 1 year of follow‐up.MethodsFifteen patients with HF post‐MI from three cardiac intervention centers in China were successfully implanted with the Heartech® LVPD via percutaneous ventricular restoration procedures. Echocardiographic parameters—including LV systolic function, diastolic function, two‐dimensional speckle‐tracking analysis, and right ventricular systolic function—were obtained before device implantation and at 1 month and 1 year postoperatively.ResultsThere was no deterioration of LV diastolic function, specific strain parameters, or right ventricular function at 1 year. Relative to the echocardiographic parameters recorded before the procedure, the LV ejection fraction (32.47 ± 6.98% vs. 42.5 ± 7.41%; p = .001) was significantly improved at 1 year, while the LV end‐diastolic volume index (106.29 ± 28.01 vs. 83.30 ± 31.71; p = .005) and end‐systolic volume index were significantly reduced (72.47 ± 22.77 vs. 50.00 ± 19.70; p = .001).ConclusionsOne‐year echocardiographic follow‐up results confirmed that no deterioration of LV diastolic function or specific strain parameters was observed and LV systolic function was significantly improved in patients with HF post‐MI who were implanted with the Heartech® LVPD.
Effects of varying levels of succinylation and hydroxypropylation on functional, thermal and textural characteristics of white sorghum starch
Authors: Mehboob Sundus , Mohsin Ali Tahira , Shaikh Marium , Hasnain Abid 
Published: January 2021

AbstractBackground and objectivesStarch is a versatile storage biopolymer with exceptional physicochemical properties. However, sometimes it owes certain functional inabilities in the native form which could be effectively overcome by chemical modifications to meet specific requirements. The present study was conducted to improve the functional properties of native sorghum starch chemically modifying via succinylation and hydroxypropylation. Native sorghum starch was modified with different concentrations of succinic anhydride and propylene oxide and was subsequently analyzed for physicochemical, thermal, and textural properties.FindingsThe swelling power and water retention capacity tend to improve upon substitution with succinyl and hydroxypropyl groups while succinylation did not have any pronounced effect on solubility of sorghum starch. All modified starches resulted in more clear starch paste than native starch but hydroxypropylated starch pastes were the most transparent to light. Succinylation did not bring about any change in pasting temperature; however, peak viscosity, hot paste viscosity, and cold paste viscosity increased significantly. Hydroxypropylated starches exhibited lower pasting temperature, higher peak viscosity for only starch substituted with 30% propylene oxide. Thermal gelatinization temperatures and enthalpy of gelatinization were significantly reduced after hydroxypropylation of sorghum starch. Percent retrogradation (%R) was significantly reduced for starches treated with 3% and 4% succinic anhydride and for all hydroxypropylated starches.ConclusionsWe concluded that hydroxypropylated starch substituted with 30% reagent exhibited the most desirable physicochemical properties and the lowest retrogradation.Significance and noveltyThis study highlighted the benefits of using different concentrations of succinic anhydride and propylene oxide to improve the functional properties of sorghum starch.
Unravelling the Origin of Enhanced Electrochemical Performance in CoSe2−MoSe2 Interfaces
Authors: Cogal Sadik , Ramani Swetha , Bhethanabotla Venkat R. , Kuhn John N. 
Published: January 2021

AbstractDefect and interface engineering have been shown as effective strategies towards sustainable hydrogen production, but detailed descriptions of the origin of performance enhancements is not established. Here, we synthesize a model heterostructure interface, CoSe2−MoSe2/PEDOT, to unravel its bifunctional capability. Low η10 of −0.20 V for HER and 1.53 V for OER verified the electrocatalytic performance of this catalyst. We systematically reveal intrinsic point defects and lattice dislocations in these heterostructures. Atomic scale electron microscopy studies disclose presence of VSe and Mo−Mo bond defects. Spectroscopic techniques are employed to show the altered electronic properties that promote surface oxidation due to the presence of defects. In contrast to MoSe2 or MoSe2/PEDOT, defect rich CoSe2−MoSe2/PEDOT showed accelerated reaction kinetics with much lower Tafel slopes. Essentially, generation of anion vacancies and metallic Mo−Mo bonds provide additional sites with improved adsorption properties of the reaction intermediates. This catalyst exhibits excellent electrocatalytic stability upon cycling for both half‐cell reactions.
Highly Enhanced Visible‐light Photocatalytic Activity via a Novel Surface Structure of CeO2/g−C3N4 toward Removal of 2,4‐dichlorophenol and Cr(VI)
Authors: Guo Lei , Yang Jingxia , Zhang Huiqing , Wang Runkai , Xu Jingli , Wang Jinjie 
Published: January 2021

AbstractPhotocatalysis is an efficient and eco‐friendly method of solving the environmental problems, but the low charge separation efficiency of photocatalysts limits their application. Herein, we report the fabrication of CeO2/g−C3N4 composites via an in‐situ growth of CeO2 on the dispersed g−C3N4 sheets (CN−OH) in an strong KOH condition, and the resultant CeO2/CN−OH composites set up a new interface structure, which demonstrate a dramatically boosted the photocatalytic activity compared with CeO2/g−C3N4 composites by conventional two‐step combination method. The decomposition efficiency of CeO2/CN−OH for 2,4‐dichlorophenol (2,4‐DCP) degradation comes up to 6 times of bare CeO2 or g−C3N4. Compared to conventional CeO2/g−C3N4, the CeO2/CN−OH showed 65.9 % and 23.2 % improvement for 2,4‐DCP and Cr(VI) removal, respectively. The significantly enhanced photodegradation ascribe to the alkaline modified CN−OH and the fabrication of CeO2/CN−OH n–n type heterojunction, both can improve the charge separation efficiency and increase the reaction active sites. Furthermore, the probable pathway and concreted photocatalytic mechanism for 2,4‐DCP degradation are proposed based on the detected intermediate products.
Experimental and Theoretical Investigation of the Structural and Opto‐electronic Properties of Fe‐Doped Lead‐Free Cs2AgBiCl6 Double Perovskite
Authors: Thawarkar Sachin , Rondiya Sachin R. , Dzade Nelson Y. , Khupse Nageshwar , Jadkar Sandesh 
Published: January 2021

AbstractLead‐free double perovskites have emerged as stable and non‐toxic alternatives to Pb‐halide perovskites. Herein, the synthesis of Fe‐doped Cs2AgBiCl6 lead‐free double perovskites are reported that display blue emission using an antisolvent method. The crystal structure, morphology, optical properties, band structure, and stability of the Fe‐doped double perovskites were investigated systematically. Formation of the Fe‐doped Cs2AgBiCl6 double perovskite is confirmed by X‐ray diffraction (XRD) and X‐ray photoelectron spectroscopy (XPS) analysis. XRD and thermo‐gravimetric analysis (TGA) shows that the Cs2AgBiCl6 double perovskite has high structural and thermal stability, respectively. Field emission scanning electron microscopy (FE‐SEM) analysis revealed the formation of dipyramidal shape Cs2AgBiCl6 crystals. Furthermore, energy‐dispersive X‐ray spectroscopy (EDS) mapping shows the overlapping of Cs, Bi, Ag, Fe, and Cl elements and homogenous incorporation of Fe in Cs2AgBiCl6 double perovskite. The Fe‐doped Cs2AgBiCl6 double perovskite shows a strong absorption at 380 nm. It extends up to 700 nm, suggesting that sub‐band gap states transition may originate from the surface defect of the doped perovskite material. The radiative kinetics of the crystals was studied using the time‐correlated single‐photon counting (TCSPC) technique. Lattice parameters and band gap value of the Fe‐doped Cs2AgBiCl6 double perovskites predicted by the density functional theory (DFT) calculations are confirmed by XRD and UV/Visible spectroscopy analysis. Time‐dependent photo‐response characteristics of the Fe‐doped Cs2AgBiCl6 double perovskite show fast response and recovery time of charge carriers. We believe that the successful incorporation of Fe in lead‐free, environmentally friendly Cs2AgBiCl6 double perovskite can open a new class of doped double perovskites with significant potential optoelectronics devices fabrication and photocatalytic applications.
Water‐based polyurethanes for sustainable advanced manufacture
Authors: Si Pengxiang , Zhao Boxin 
Published: January 2021

AbstractPolyurethanes (PUs) are a class of versatile polymers; their structure and morphology can be readily tailored to exhibit various mechanical, physical, chemical, and biological properties. PUs have been employed in a variety of industrial applications including foams, coatings, textiles, machinery, sporting, transportation, vehicles, and construction. Water‐based PU was developed to reduce the usage of volatile organic compounds (VOCs) in the synthesis of conventional solvent‐based PU, and exhibits advantages of superior material properties (eg, flexibility, stretchability, elasticity, mechanical strength), processability (eg, 3D printing, inkjet printing, screen printing, spray coating, moulding), and sustainability (eg, low VOCs, degradable). Water‐based PU combines the superior mechanical properties of PU with the excellent stability of colloids. The current research trend of PU is shifting from traditional industrial applications to state‐of‐the‐art fields such as soft and wearable electronics, energy storage devices, biosensors, actuators, photovoltaic devices, and stimuli‐responsive materials. Due to the existence of a variety of functional groups such as urethane, aliphatic or aromatic hydrocarbons, esters, ethers, amides, and urea, water‐based PU can be physically or chemically incorporated with functional materials to form PU colloidal composites towards various applications. This paper summarizes the fundamentals of water‐based PU and their colloidal properties and reviews the advanced printing manufacture and the latest explorations of water‐based PU for emerging flexible and stretchable electronics.
Highly selective solvent extraction of Zn(II) and Cr(III) with trioctylmethylammonium chloride ionic liquid
Authors: Alves‐Lima Décio F. , Rodrigues Carmina F. , Pinheiro Carolina T. , Gando‐Ferreira Licínio M. , Quina Margarida J. , Ferreira Abel G. 
Published: January 2021

AbstractThis study investigates the recovery of Zn(II) and Cr(III) from aqueous solutions based on solvent extraction with trioctylmethylammonium chloride [TOMA+][Cl‐], commercialy named Aliquat 336. Single metal solutions and binary mixtures of both metals were considered. The effect of relevant operating conditions such as pH, contact time, initial concentration, O/A phase volumetric ratio, and temperature were evaluated. Additionally, loading capacity and stripping studies were performed. Results showed that [TOMA+][Cl−] is an effective extracting agent for Zn(II), reaching maximum removal capacity at pH 1.8 and demonstrating fast extraction kinetics. Extraction efficiencies above 99% were achieved at 0.5, 0.75, and 1.00 O/A volumetric phase ratios for 0.1 g/L initial Zn(II) concentration. At 1 g/L and 10 g/L concentration, for the same O/A ratios, approximately 88% of the initial Zn(II) was extracted. In contrast, it was found that negligible amounts of Cr(III) were transferred to the [TOMA+][Cl−] phase at the 1‐5 pH range. Selectivity studies showed that Zn(II) removal is boosted in the presence of Cr(III), although no Cr(III) is extracted. [TOMA+][Cl−] exhibited a high Zn(II) storage capacity, since after 25 loading cycles with 1 g/L, the loading capacity reached approximately 13.5 g/L, and after five loading cycles with 5 g/L, the capacity reached 19.4 g/L. Stripping tests revealed that NaOH is an efficient agent for the removal of Zn(II) from the ionic liquids, reaching 98.5% removal after two cycles, whereas HNO3 is not a suitable agent, reaching less than 40% removal after three cycles. [TOMA+][Cl−] revealed high potential for separating Zn(II) from Cr(III).
Improving Data Analysis in Chemistry and Biology Through Versatile Baseline Correction
Authors: Schneidewind Jacob , Olickel Hrishi 
Published: January 2021

AbstractInvited for this month's cover is the group of Jacob Schneidewind from Leibniz‐Institute for Catalysis (Germany). The cover picture shows a cartoonish view into polymerase chain reaction: DNA molecules are amplified, resulting in the amplification curve on which they are walking. When analyzing this data, however, such a curve becomes a challenge for baseline correction algorithms. This is due to the vertical offset of datapoints before and after the curve. A newly developed algorithm accounts for this offset and is represented by an elevator, which takes all of the DNA molecules up the offset and to their destination. The left to right transition also represents the effect of transforming noisy data into clean signals, and sad DNA molecules into happy helixes. Data analysis challenges like this are encountered in various situations in chemistry and biology, to a selection of which the algorithm is applied, illustrating its utility. Read the full text of their Full Paper at 10.1002/cmtd.202000027.
Understanding Structural and Transport Properties of Dissolved Li2S8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations
Authors: Hu Tianyuan , Wang Yanlei , Huo Feng , He Hongyan , Zhang Suojiang 
Published: January 2021

AbstractLithium‐sulfur batteries with high energy density are considered as one of the most promising future energy storage devices. However, the parasitic lithium polysulfides shuttle phenomenon severely hinders the commercialization of such batteries. Ionic liquids have been found to suppress the lithium polysulfides solubility, diminishing the shuttle effect effectively. Herein, we performed classical molecular dynamics simulations to explore the microscopic mechanism and transport behaviors of typical Li2S8 species in ionic liquids and ionic liquid‐based electrolyte systems. We found that the trifluoromethanesulfonate anions ([OTf]−) exhibit higher coordination strength with lithium ions compared with bis(trifluoromethanesulfonyl)imide anions ([TFSI]−) in static microstructures. However, the dynamical characteristics indicate that the presence of the [OTf]− anions in ionic liquid electrolytes bring faster Li+ exchange rate and easier dissociation of Li+ solvation structures. Our simulation models offer a significant guidance to future studies on designing ionic liquid electrolytes for lithium‐sulfur batteries.
Physiologically‐Based Pharmacokinetic Modeling of Remdesivir and Its Metabolites to Support Dose Selection for the Treatment of Pediatric Patients With COVID‐19
Authors: Lutz Justin D. , Mathias Anita , German Polina , Pikora Cheryl , Reddy Sunila , Kirby Brian J. 
Published: January 2021

Severe coronavirus disease 2019 (COVID‐19) disease, including multisystem inflammatory syndrome, has been reported in children. This report summarizes development of a remdesivir physiologically‐based pharmacokinetic (PBPK) model that accurately describes observed adult remdesivir and metabolites exposure and predicts pediatric remdesivir and metabolites exposure. The adult PBPK model was applied to predict pediatric remdesivir and metabolites steady‐state exposures using the Pediatric Population Model in SimCYP and incorporated the relevant physiologic and mechanistic information. Model development was based on adult phase I exposure data in healthy volunteers who were administered a 200‐mg loading dose of remdesivir intravenous (IV) over 0.5 hours on Day 1, then 100‐mg daily maintenance doses of IV over 0.5 hours starting on Day 2 and continuing through Days 5 or 10. Simulations indicated that use of the adult therapeutic remdesivir dosage regimen (200‐mg loading dose on Day 1 then 100‐mg daily maintenance dose starting on Day 2) in pediatric patients ≥ 40 kg and a weight‐based remdesivir dosage regimen (5‐mg/kg loading dose on Day 1 then 2.5‐mg/kg daily maintenance dose starting on Day 2) in pediatric patients weighing 2.5 to < 40 kg is predicted to maintain therapeutic exposures of remdesivir and its metabolites. The comprehensive PBPK model described in this report supported remdesivir dosing in planned pediatric clinical studies and dosing in the emergency use authorization and pediatric compassionate use programs that were initiated to support remdesivir as a treatment option during the pandemic.
Workflow scheduling in cloud environment using a novel metaheuristic optimization algorithm
Authors: Ramathilagam Arunagiri , Vijayalakshmi Kandasamy 
Published: January 2021

SummaryWorkflow scheduling is the most focused research issue in the on‐demand clouds where the user satisfaction like cost and bandwidth is more difficult. Several research works have been conducted earlier towards performing reliable workflow scheduling with the aim of reducing cost or execution time. However, those works lack to produce better result by compromising any attributes for attaining the goal. The existing work lacks from the security where the tasks might get corrupted during execution. To resolve this problem, an Enhanced Artificial Fish Swarm Algorithm (EAFSA)‐based IaaS Cloud Partial Critical Path (IC‐PCP) Replication and Hyper Elliptic Curve Cryptography (EAFSAIPR with HECC) is proposed. The main goal is to perform better workflow scheduling which can complete the task execution before deadline given by the users. This is done by predicting the early start time and latest finish time using EAFSA algorithm, so that task replication can be made to meet the soft deadline constraint. The task authentication is done efficiently using HEEC algorithm, so that corruption from malicious users can be avoided. The task replication is done securely using the cryptographic algorithm. The proposed EAFSAIPR with HECC algorithm uses idle time of provisioned resources to replicate workflow tasks optimally. The proposed EAFSAIPR algorithm scheduler focused to ensure the lowest cost while serving a deadline set by the user. The experimental results show that the scheduler can find good schedules of deadlines being met and reduces the total execution time of applications as the budget available for replication increases.
One‐Pot Synthesis of 5‐Amino‐1,2,3‐triazole Derivatives via Dipolar Azide−Nitrile Cycloaddition and Dimroth Rearrangement under Solvent‐Free Conditions
Authors: Gribanov Pavel S. , Atoian Edita M. , Philippova Anna N. , Topchiy Maxim A. , Asachenko Andrey F. , Osipov Sergey N. 
Published: January 2021

AbstractAn efficient one‐pot methodology for the preparation of 5‐amino‐1,2,3‐triazole derivatives based on the combination of dipolar azide−nitrile cycloaddition with Dimroth rearrangement under solvent‐free conditions has been developed.