bluuebunny/crossref_metadata_2025_split huggingface dataset:
An analytical model for a single‐well circulation system in a confined aquifer with a finite thickness well skin
Authors: Tu Kun , Wu Qiang , Zhang Nan , Liu Xiaoxiu 
Published: March 2023

AbstractIn this study, a general analytical model of a single‐well circulation system is developed to analyze transient drawdown in a confined aquifer considering the effects of a finite thickness well skin. The analytical solutions in the Laplace domain of transient drawdown in the skin and formation zones are obtained by applying the Laplace and Fourier cosine transforms. The Stehfest method is employed to numerically invert transient drawdown in the Laplace domain into the time domain. Meanwhile, the steady‐state solutions in the time domain for the skin and formation zones are also derived by using the Fourier cosine transform. The influence of different parameters on transient drawdown is investigated. The results show that the skin type and thickness have an enormous impact on drawdown in the skin zone, while their influence on drawdown in the formation zone is small and can be neglected. The sensitivity analysis, carried out to investigate the characteristics of drawdown with respect to each parameter, indicates that drawdowns in the skin and formation zones are highly sensitive to the sealed section's length.
Mediating role of resilience between learning engagement and professional identity among nursing interns under COVID‐19: A cross‐sectional study
Authors: Lin Yanjuan , Chen Yaqin , Peng Yanchun , Zhang Xuecui , Liao Xiaoqin , Chen Liangwan 
Published: March 2023

AbstractAimThe aim of the study was to explore the mediating effect of resilience between learning engagement and professional identity of nursing interns.DesignA descriptive, cross‐sectional study design.MethodsAn online questionnaire survey was conducted among nursing interns in Fujian Medical University from February 2022 to April 2022 by convenience sampling. The scores of learning engagement, resilience and professional identity were evaluated. The PROCESS Marco in SPSS was used to analyse the mediating effect.ResultsA total of 222 senior nursing students participated in the questionnaire survey. Both learning engagement (r = 0.491, p < 0.01) and resilience (r = 0.537, p < 0.01) correlated positively with PI. Resilience is also positively related to PI (r = 0.693, p < 0.01). Also resilience played a partial mediating role in the relationship between learning engagement and professional identity (a*b = b = 0.2451, 95% CI: 0.1543, 0.3581), and its effect accounted for 53.3%.
A hypothetical intervention of the timing of dietary intake on weight and body composition after initial weight loss
Authors: Elahy Valeria , Jiang Luohua , Lee Sunmin , Odegaard Andrew O. 
Published: March 2023

AbstractObjectiveThis study estimated the effect of hypothetical interventions of higher and lower frequency of breakfast and post‐dinner snack consumption (breakfast consumption 0‐4 vs. 5‐7 times/week and post‐dinner snack consumption 0‐2 vs. 3‐7 times/week) on changes in body weight and composition over 18 months after a successful 6‐month standard behavioral weight‐loss program.MethodsThe study analyzed data from the Innovative Approaches to Diet, Exercise and Activity (IDEA) study.ResultsIf all participants consumed a breakfast meal 5 to 7 times/week over 18 months, they would have regained 2.95 kg of body weight on average (95% CI: 2.01 to 3.96), which is 0.59 kg (95% CI: −0.86 to −0.32) lower than if all participants consumed breakfast 0 to 4 times/week. If all participants consumed a post‐dinner snack 0 to 2 times/week, they would have regained 2.86 kg of body weight on average (95% CI: 0.99 to 5.25), which is 0.83 kg (95% CI: −1.06 to −0.59) lower than if all consumed a post‐dinner snack 3 to 7 times/week.ConclusionsRegular breakfast consumption and minimizing post‐dinner snacking may modestly mitigate weight and body fat regain over 18 months after initial weight loss.
Distributed optimal resource allocation with second‐order multi‐Agent systems
Authors: Tian Haibao , Yu Nanxiang , Zhu Wei 
Published: March 2023

AbstractThis paper studies the resource allocation problems with second‐order multi‐agent systems under the constraint of the global network resource. A novel distributed continuous‐time algorithm, which only uses the local information, is proposed. By using matrix transform and differential inequality technique, the exponential convergence is obtained under the undirected and connected graph. To reduce energy consumption and communication costs, a distributed event‐triggered algorithm is designed. It is proved that not only this algorithm converges exponentially to the optimal allocation, but also the event‐triggered time sequence does not exhibit Zeno‐behavior. Finally, numerical examples illustrate the effectiveness of theoretical results.
Development of axially chiral urazole scaffolds for antiplant virus applications againstpotato virus Y
Authors: Jin Jiamiao , Mou Chengli , Zou Juan , Xie Xin , Wang Chen , Shen Tingwei , Deng Youlin , Li Benpeng , Jin Zhichao , Li Xiangyang , Chi Yonggui Robin 
Published: March 2023

AbstractBACKGROUNDPotato virus Y(PVY) was first discovered by Smith in 1931 and is currently ranked as the fifth most significant plant virus. It can cause severe damage to plants from the familySolanaceae, which results in billions of dollars of economic loss worldwide every year. To discover new antiviral drugs, a class of multifunctional urazole derivatives bearing a stereogenic CN axis were synthesized with excellent optical purities for antiviral evaluations against PVY.RESULTSThe absolute configurations of the axially chiral compounds exhibited obvious distinctions in antiviral bioactivities, with several of these enantio‐enriched axially chiral molecules showing excellent anti‐PVY activities. In particular, compound (R)‐9fexhibited remarkable curative activities against PVY with a 50% maximal effective concentration (EC50) of 224.9 μg mL−1, which was better than that of ningnanmycin (NNM), which had an EC50of 234.0 μg mL−1. And the EC50value of the protective activities of compound (R)‐9f was 462.2 μg mL−1, which was comparable to that of NNM (442.0 μg mL−1). The mechanisms of two enantiomer of the axially chiral compounds9f were studied by both molecule docking and defensive enzyme activity tests.CONCLUSIONMechanistic studies demonstrated that the axially chiral configurations of the compounds played significant roles in the molecule PVY‐CP (PVY Coat Protein) interactions and could enhance the activities of the defense enzymes. The (S)‐9f showed only one carbon–hydrogen bond and one π–cation interaction between the chiral molecule and the PVY‐CP amino acid sites. In contrast, the (R)‐enantiomer of 9f exhibited three hydrogen bonding interactions between the carbonyl groups and the PVY‐CP active sites of ARG157 and GLN158. The current study provides significant information on the roles that axial chiralities play in plant protection against viruses, which will facilitate the development of novel green pesticides bearing axial chiralities with excellent optical purities. © 2023 Society of Chemical Industry.
Bamboo invasion alters Collembola community composition varying with life‐forms
Authors: Long Kui , Yin Rui , Kardol Paul , Wei Qiaoyu , Li Yongchun , Huang Junhao 
Published: March 2023

AbstractBACKGROUNDPlant invasions are a global concern. In eastern China, bamboo is rapidly expanding, negatively influencing neighbouring forest communities. However, studies on how bamboo invasion affects belowground communities, especially for soil invertebrates, are still lacking. In the present study, we focused on a highly abundant and diverse fauna taxon – Collembola. Collembola communities have three typical life‐forms (i.e., epedaphic, hemiedaphic, and euedaphic) inhabiting different soil layers and playing distinct roles in ecological processes. Specifically, we studied their abundance, diversity, and community composition at the three stages of bamboo invasion: uninvaded secondary broadleaf forest, moderately invaded mixed bamboo forest, and completely invaded bamboo (Phyllostachys edulis) forest.RESULTSOur results showed that bamboo invasion negatively influenced Collembola communities by decreasing their abundance and diversity. Moreover, Collembola life‐forms differed in their responses to bamboo invasion, with surface‐dwelling Collembola being more vulnerable to bamboo invasion than soil‐living Collembola.CONCLUSIONOur findings indicate differential response patterns to bamboo invasion within Collembola communities. The negative effects of bamboo invasion on soil surface‐dwelling Collembola may further influence ecosystem functioning. © 2023 Society of Chemical Industry.
Capilliposide B inhibits the migration of prostate cancer by inducing autophagy through the ROS/AMPK/mTOR pathway
Authors: Wang Luping , Han Haote , Feng Yue , Ma Jiahui , Han Zhuo , Li Ruyi , Zhu Wei , Li Shouxin , Tian Jingkui , Zhang Lin 
Published: March 2023

AbstractCapilliposide B (CPS‐B), a novel oleanane triterpenoid saponin derived from Lysimachia capillipes Hemsl, is a potent anticancer agent. However, its anticancer mechanism remains elusive. In the present study, we demonstrated the potent anti‐tumor activity and molecular mechanism of CPS‐B both in vitro and in vivo. Proteomic analysis using isobaric tags for relative and absolute quantitation techniques suggested that CPS‐B modulated autophagy in prostate cancer (PC). Moreover, Western blotting showed that both autophagy and epithelial–mesenchymal transition occurred place after CPS‐B treatment in vivo, which was also proven in PC‐3 cancer cells. We deduced that CPS‐B inhibited migration by inducing autophagy. We examined the accumulation of reactive oxygen species (ROS) in cells, and in downstream pathways, LKB1 and AMPK were activated while mTOR was inhibited. Transwell experiment results showed that CPS‐B inhibited the metastasis of PC‐3 cells and that this effect was significantly attenuated after pretreatment with chloroquine, indicating that CPS‐B inhibited metastasis via autophagy induction. Altogether, these data suggest that CPS‐B is a potential therapeutic agent for cancer treatment that acts by inhibiting migration through the ROS/AMPK/mTOR signaling pathway.
Atmospheric chemical behaviors of (CF3)2CFCN by density‐functional theory method: The relationship between electronic structure and atmosphere lifetime
Authors: Liu Wei , Dong Wangchao , Song Yumei , Zhao Yiheng , Wu Panpan , Huang Xin , Wang Kun , Cheng Longjiu 
Published: March 2023

Abstract(CF3)2CFCN with excellent insulation performance has been proposed to replace the traditional SF6 as a new insulating medium in power equipment. In the present study, the molecular structure and radiative efficiency (RE) of (CF3)2CFCN are calculated and compared with SF6 based on density‐functional theory (DFT) calculation. The decomposition of pure (CF3)2CFCN and the basic interactions between (CF3)2CFCN and hydroxyl radical in the constructed co‐crystal of (CF3)2CFCN‐H2O have been simulated by applying Monte‐Carlo calculation and Car–Parrinello molecular dynamics method, in order to obtain reasonable and full‐scale atmospheric dissociation processes. Then the detailed decomposition pathways are learned with DFT method of M06‐2X. The rate constants of different pathways are further applied for calculating the atmosphere lifetime of (CF3)2CFCN, to evaluate the possibility of applying it as an alternative gas of SF6 in power equipment. All the atmospheric chemical behaviors are determined by electronic structure and reflected by the decomposition pathways of (CF3)2CFCN with interacting with hydroxyl radicals. Rather than traditional hypothesizing reaction models given by the chemical intuitions, this study provides a new view angle to understand the dissociation pathways based on first‐principle molecular dynamic method, and to evaluate the atmospheric chemical behaviors of other protective gas of power equipment.
New and emerging therapies in gout
Authors: James Reeta , Paul Binoy J. 
Published: March 2023

AbstractGout is a disease that has been pestering humankind for centuries. Hence, gout therapeutics has always been a field of ongoing research. Beginning from colchicine, which was the first drug to come into use, to the latest inflammasome inhibitors and monoclonal antibodies, therapies for gout have evolved remarkably over the years. Although gout‐related research came to a standstill in the late 20th century, the 21st century witnessed a renaissance in gout therapeutics with the advent of new xanthine oxidase inhibitors. Our present armamentarium against gout includes drugs that exploit the newfound knowledge about the various mechanisms involved in the pathogenesis of gout as well as drugs used in other conditions, which are effective in gout as well. Many more drugs that promise better management of gout in the future are in the pipeline.
Small Molecules as Anti‐inflammatory Agents: Molecular Mechanisms and Heterocycles as Inhibitors of Signaling Pathways
Authors: Basha N. Jeelan 
Published: March 2023

AbstractCancer and inflammation interlink with many pathways. Millions of people died because of these two disorders. Major pathways that cause both inflammation and cancer are STAT3, NF‐κB, COX, and histone acetylation. However, these are the target for medicinally potent heterocycles such as pyrimidines, indole, and pyrazole. Many NSAIDs reported in the literature belong to both natural and synthetic molecules. This review encompasses molecular mechanisms for inflammation, NSAIDs derived from natural sources and synthetic methods, and recent reports on heterocycles as potent anti‐inflammatory agents and their significance in cancer treatment. Literature for the study, accomplished from 2019 to 2022.
Effects of Barium‐Copper‐Cobalt oxide composites supported on reduced graphene oxide in the thermolysis of ammonium perchlorate and 3‐nitro‐1,2,4‐triazol‐5‐one
Authors: Dave Pragnesh N. , Sirach Ruksana 
Published: March 2023

AbstractSynthesis method of nanocrystalline Barium‐Copper‐Cobalt oxide (BCC) and its composite with reduced graphene oxide (rGO) was provided. The size of nanocrystalline (∼13 nm) materials (BCC and BCC/rGO) was confirmed using powder X‐ray diffraction patterns. The effect of rGO, BCC, and BCC/rGO on the thermal decomposition of 3‐Nitro‐1,2,4‐triazol‐5‐one (NTO) and ammonium perchlorate (AP) was investigated using simultaneous thermal analysis. Non‐isothermal isoconversion method was used to calculate the activation energy of AP and NTO with and without rGO, BCC, and BCC/rGO. The thermal analysis suggests that in the presence of BCC and BCC/rGO, the thermal decomposition exotherm of NTO was lowered to ∼259, and ∼228 °C, respectively, and that of AP was lowered to 355, and 345 °C, respectively. BCC and BCC/rGO exhibit very good catalytic activity for the thermal decomposition of NTO by lowering NTO's activation energy barrier by ∼179 and 261 kJ mol−1, respectively. The activation energy calculations for low thermal decomposition and high thermal decomposition of AP (∼95 kJ mol−1 average) do not provide conclusive evidence to confirm the catalytic influence of BCC and BCC/rGO. The composition NTO+BCC has a lower activation energy barrier (∼121 kJ mol−1) than pure NTO which makes the thermal decomposition of NTO+BCC more favorable than pure NTO making its application in insensitive munitions more favorable. AP+BCC decomposes within a short temperature range and hence, it can be used in solid rocket propellants requiring faster decomposition of AP in place of pure AP.
Design, Synthesis, Spectral Characterization, Antioxidant Activity, Molecular Docking and in silico ADMET Studies of 1, 3 Oxazepines
Authors: Ramkumar Subramaniyan , Ramarajan Rajalakshmi 
Published: March 2023

AbstractIn this study, we synthesised a series of novel 1, 3‐oxazepine and characterized by FT‐IR, 1HNMR and 13CNMR spectral studies. Docking studies are carried out for the synthesised compound using five different proteins (PDB Code: 1HNY, 1VMP, 3A4A, 6W63 and 7JRN) and it proved that all the synthesised compounds having better binding affinity in anti‐oxidant (3A4A) proteins. Based on the docking result all the newly synthesised compounds are screened their antioxidant activity. The compounds showed a good activity towards antioxidant activity compared with standard. Furthermore, the SwissADME online application is used to analyses the physiochemical and pharmacokinetic features of the compounds.
[Ch][TAPSO] As an Efficient Ionic Liquid Catalyst for One‐Pot Synthesis ofTetrahydro‐4H‐chromenes and 3,4‐Dihydropyrano[c]chromenes
Authors: Verma Usha Kumari , Manhas Akanksha , Kapoor Kamal K. 
Published: March 2023

AbstractCholinium N‐Tris(hydroxymethyl)methyl‐3‐amino‐2‐hydroxypropanesulfonate [Ch][TAPSO] has been found as an efficient ionic liquid catalyst for the synthesis of tetrahydro‐4H‐chromenes and 3,4‐dihydropyrano[c]chromenes in water and EtOH : Water (3 : 2) respectively. [Ch][TAPSO] being a basic IL has also been observed to extract acidic compounds such as rhodamine B from IL‐ immiscible organic solvent such as acetone through acid‐base interaction. The extraction process of fluorescent dye rhodamine B was determined by ultraviolet‐visible (UV‐Vis) spectroscopy. The observed percentage extraction rate is 100 % upto 6 mM solution of rhodamine in acetone. This method results in faster reaction with operational simplicity and excellent yields of the products. Furthermore, the catalyst has a great capacity for reutilisation.
Dual Catalytic and Self‐Assembled Growth of Two‐Dimensional Transition Metal Dichalcogenides Through Simultaneous Predeposition Process
Authors: Kim Minsu , Son Minkyun , Seo Dong‐Bum , Kim Jin , Jang Moonjeong , Kim Dong In , Lee Seunghun , Yim Soonmin , Song Wooseok , Myung Sung , Yoo Jung‐Woo , Lee Sun Sook , An Ki‐Seok 
Published: March 2023

AbstractThe recent introduction of alkali metal halide catalysts for chemical vapor deposition (CVD) of transition metal dichalcogenides (TMDs) has enabled remarkable two‐dimensional (2D) growth. However, the process development and growth mechanism require further exploration to enhance the effects of salts and understand the principles. Herein, simultaneous predeposition of a metal source (MoO3) and salt (NaCl) by thermal evaporation is adopted. As a result, remarkable growth behaviors such as promoted 2D growth, easy patterning, and potential diversity of target materials can be achieved. Step‐by‐step spectroscopy combined with morphological analyses reveals a reaction path for MoS2 growth in which NaCl reacts separately with S and MoO3 to form Na2SO4 and Na2Mo2O7 intermediates, respectively. These intermediates provide a favorable environment for 2D growth, including an enhanced source supply and liquid medium. Consequently, large grains of monolayer MoS2 are formed by self‐assembly, indicating the merging of small equilateral triangular grains on the liquid intermediates. This study is expected to serve as an ideal reference for understanding the principles of salt catalysis and evolution of CVD in the preparation of 2D TMDs.
Bimetallic Pt‐Hg Aerogels for Electrocatalytic Upgrading of Ethanol to Acetate
Authors: Zhang Xin , Wang Tao , Wang Cui , Hübner René , Eychmüller Alexander , Zhan Jinhua , Cai Bin 
Published: March 2023

AbstractElectrochemical upgrading of ethanol to acetic acid provides a promising strategy to couple with the current hydrogen production from water electrolysis. This work reports the design of a series of bimetallic PtHg aerogels, where the PtHg aerogel exhibits a 10.5‐times higher mass activity than that of commercial Pt/C toward ethanol oxidation. More impressively, the PtHg aerogel demonstrates nearly 100% selectivity toward the production of acetic acid. The operando infrared spectroscopic studies and nuclear magnetic resonance analysis verify the preferable C2 pathway mechanism during the reaction. This work opens an avenue for the electrochemical synthesis of acetic acid via ethanol electrolysis.
Three‐Dimensional Coffee‐Ring Effect Induced Deposition on Foam Surface for Enhanced Photothermal Conversion
Authors: Liu Yunjia , Lin Si , Zhu Yali , Gao Xiaoying , Wang Zhipeng , Yang Shenghong , Liu Jian 
Published: March 2023

AbstractUniformly depositing a thin layer of functional constituents on porous foam is attractive to realize their concentrated interfacial application. Here, a simple but robust polyvinyl alcohol (PVA)‐mediated evaporation drying strategy to achieve uniform surface deposition on melamine foam (MF) is introduced. Solutes can be accumulated homogeneously to the surface periphery of MF due to the enhanced coffee‐ring effect of PVA and its stabilizing effect on various functional constituents, including molecules and colloidal particles. The deposition thickness is positively correlated with the feeding amounts of PVA but seems to be independent of drying temperature. 3D outward capillary flow driven by the combination of contact surface pinning and continual interfacial evaporation induces the forming of core‐shell foams. The enhanced interfacial photothermal effect and solar desalination performance using PVA/polypyrrole‐coated MF as a Janus solar evaporator are demonstrated.
High‐Performance Ammonia Protonic Ceramic Fuel Cells Using a Pd Inter‐Catalyst
Authors: Jeong Heon Jun , Chang Wanhyuk , Seo Beum Geun , Choi Yun Sung , Kim Keun Hee , Kim Dong Hwan , Shim Joon Hyung 
Published: March 2023

AbstractThis study reports the performance and durability of a protonic ceramic fuel cells (PCFCs) in an ammonia fuel injection environment. The low ammonia decomposition rate in PCFCs with lower operating temperatures is improved relative to that of solid oxide fuel cells by treatment with a catalyst. By treating the anode of the PCFCs with a palladium (Pd) catalyst at 500 °C under ammonia fuel injection, the performance (peak power density of 340 mW cm−2 at 500 °C) is approximately two‐fold higher than that of the bare sample not treated with Pd. Pd catalysts are deposited through an atomic layer deposition post‐treatment process on the anode surface, in which nickel oxide (NiO) and BaZr0.2Ce0.6Y0.1Yb0.1O3–δ (BZCYYb) are mixed, and Pd can penetrate the anode surface and porous interior. Impedance analysis confirmed that Pd increased the current collection and significantly reduced the polarization resistance, particularly in the low‐temperature region (≈500 °C), thereby improving the performance. Furthermore, stability tests showed that superior durability is achieved compared with that of the bare sample. Based on these results, the method presented herein is expected to represent a promising solution for securing high‐performance and stable PCFCs based on ammonia injection.
Stretchable, Electrochemically‐Stable Electrochromic Devices Based on Semi‐Embedded Ag@Au Nanowire Network
Authors: Fan Qingchao , Fan Hongwei , Li Kerui , Hou Chengyi , Zhang Qinghong , Li Yaogang , Wang Hongzhi 
Published: March 2023

AbstractStretchable electrochromic (EC) devices that can adapt the irregular and dynamic human surfaces show promising applications in wearable display, adaptive camouflage, and visual sensation. However, challenges exist in lacking transparent conductive electrodes with both tensile and electrochemical stability to assemble the complex device structure and endure harsh electrochemical redox reactions. Herein, a wrinkled, semi‐embedded Ag@Au nanowire (NW) networks are constructed on elastomer substrates to fabricate stretchable, electrochemically‐stable conductive electrodes. The stretchable EC devices are then fabricated by sandwiching a viologen‐based gel electrolyte between two conductive electrodes with the semi‐embedded Ag@Au NW network. Because the inert Au layer inhibits the oxidation of Ag NWs, the EC device exhibits much more stable color changes between yellow and green than those with pure Ag NW networks. In addition, since the wrinkled semi‐embedded structure is deformable and reversibly stretched without serious fractures, the EC devices still maintain excellent color‐changing stability under 40% stretching/releasing cycles.