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Journal of Energy Chemistry 2024年第7期94卷 54-60页

作者： Liang Zeng Xi Tan Xiangyu Ji Shiqi Li Jinkai Zhang Jiaxing Peng Sheng Bi guang feng State Key Laboratory of Coal Combustion Schoolof Energy and PowerEngineeringHuazhong Universityof Science and Technology(HUST)Wuhan 430074HubeiChina Sorbonne Universite CNRSPhysico-chimie des Electrolytes et Nanosystemes InterfaciauxPHENIXF-75005 ParisFrance

In molecular modeling of electrical double layers(EDLs),the constant charge method(CCM)is prized for its computational efficiency but cannot maintain electrode equipotentiality like the more resourceintensive constant potential method(CPM),potentially leading to inaccuracies.In certain scenarios,CCM can yield results identical to CPM.However,there are no clear guidelines to determine when CCM is sufficient and when CPM is required.Here,we conduct a series of molecular simulations across various electrodes and electrolytes to present a comprehensive comparison between CCM and CPM under different charging modes.Results reveal that CCM approximates CPM effectively in capturing equilibrium EDL and current-driven dynamics in open electrode systems featuring ionic liquids or regular concentration aqueous electrolytes,while CPM is indispensable in scenarios involving organic and highly concentrated aqueous electrolytes,nanoconfinement effects,and voltage-driven dynamics.This work helps to select appropriate methods for modeling EDL systems,prioritizing accuracy while considering computationalefficiency.

关键词： Electrochemical interface Molecular dynamics Electrode polarization modeling Nanoconfinement effect

Immune checkpoint inhibition mediated with liposomal nanomedicine for cancer therapy

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Military Medical Research 2024年第1期11卷 98-114页

作者： guang-Long Ma Wei-feng Lin Faculty of Medicine Centre for Cancer ImmunologyUniversity of SouthamptonSouthampton SO166YDUK Department of Molecular Chemistry and Materials Science Weizmann Institute of Science76100 RehovotIsrael Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191China

Immune checkpoint blockade(ICB)therapy for cancer has achieved great success both in clinical results and on the market.At the same time,success drives more attention from scientists to improve it.However,only a small portion of patients are responsive to this therapy,and it comes with a unique spectrum of side effects termed immunerelated adverse events(irAEs).The use of nanotechnology could improve ICBs’delivery to the tumor,assist them in penetrating deeper into tumor tissues and alleviate their irAEs.Liposomal nanomedicine has been investigated and used for decades,and is well-recognized as the most successful nano-drug delivery system.The successful combination of ICB with liposomal nanomedicine could help improve the efficacy of ICB therapy.In this review,we highlighted recent studies using liposomal nanomedicine(including new emerging exosomes and their inspired nanovesicles)in associating ICB therapy.

关键词： Liposome Exosome Immune checkpoint blockade(ICB)

Comparative observation of the effectiveness and safety of remimazolam besylate versus dexmedetomidine in gastrointestinal surgery in obese patients

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World Journal of Gastrointestinal Surgery 2024年第5期16卷 1320-1327页

作者： Yu-Fu Deng Xue-Run Jiang Zeng-guang feng Department of Anesthesiology Xiangtan Central HospitalXiangtan 411100Hunan ProvinceChina

BACKGROUND Surgery for obese patients carries a higher risk of anesthesia complications compared with surgery for nonobese patients.Thus,a safe and effective anesthesia strategy is necessary to improve the medical experience of such patients and ensure their safety.AIM To compared the effectiveness and safety of remimazolam besylate versus dexmedetomidine(DEX)in gastrointestinal surgery in obese patients.METHODS The study cohort included 60 obese patients undergoing gastrointestinal surgery between July 2021 and April 2023,comprising 30 patients who received DEX intervention(control group)and 30 patients who received remimazolam besylate intervention(research group).Heart rate(HR),respiratory rate(RR),mean arterial pressure(MAP),blood oxygen saturation(SpO_(2)),safety(nausea and vomiting,bradycardia,hypotension,and apnea),anesthesia and examination indices[induction time,anesthesia recovery time,and postanesthesia care unit(PACU)discharge time],sedation effect(Ramsay Sedation Scale),and postoperative pain visual analog scale were comparatively analyzed before anesthesia(T0),during anesthesia(T1),and after anesthesia(T2).RESULTS At T1,the research group showed significantly smaller changes in HR,RR,MAP,and SpO_(2) than the control group,with a significantly lower adverse reaction rate and shorter induction,anesthesia recovery,and PACU discharge times.Additionally,the intra-and postoperative Ramsay Sedation Scale scores were statistically higher in the research group than in the control group.CONCLUSION Remimazolam besylate was significantly more effective than DEX in gastrointestinal surgery in obese patients and had a higher safety profile and value in clinical promotion.

关键词： Remimazolam besylate Dexmedetomidine Obesity Gastrointestinal surgery Effectiveness Safety

Construction of Naphthalenediimide Lanthanide(Ⅲ)-MOFs and Composites Incorporated Electron-Rich Pyrene Derivative as Multifunctional Fluorescence Sensing for Nitro Aromatic Compounds and Aldehydes

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Chinese Journal of Chemistry 2024年第3期42卷 283-293页

作者： Rong Huo Ting Zhang guang Zeng Chen Wang Yong Heng Xing feng Ying Bai College of Chemistry and Chemical Engineering Liaoning Normal UniversityDalianLiaoning116029 China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianLiaoning116023 China

The development of host-guest MOF luminescent composites has attracted considerable attention. However,it is still a challenge to reasonably design large scale conjugated polycarboxylic acids metal-organic framework (MOF) and modulate donor-acceptor interaction. Herein,a series of isostructural 3D porous lanthanide MOF [Ln_(2)(BINDI)0.5(NO_(3))(DMA)(H_(2)O)]∙DMA∙2.5H_(2)O (Ln = La (1),Ce (2),Pr (3) and Nd (4);H_(4)BINDI (N,N’-bis(5-isophthalic acid)-1,4,5,8-naphthalenediimide) were synthesized. Considering the electron-deficient performances of Ln-BINDI MOFs,D-A type composites Ln-MOFs (1—4@H_(4)TBAPy) were prepared via the incorporation of electron-rich H_(4)TBAPy (1,3,6,8-tetrakis(p-benzoic acid) pyrene),which more improved the luminescence performance of complexes 1—4 and can be used as fluorescence sensors for the detection of nitro compounds and aldehydes. High sensitivity of 1@H_(4)TBAPy towards pNBA,pNA PNP,DNP,and TNP could be achieved through hydrogen bond interactions between MOF and analytes,as well as the π-π interaction between H_(4)TBAPy and the naphthalene ring of BINDI,thus the fluorescence quenching efficiency of 1@H_(4)TBAPy was better than that of the complex 1. In addition,it is found that 1@H_(4)TBAPy has high selectivity and sensitivity to aromatic aldehyde SA,5-Mesal and HMBA. Such strategy to enhance the emission of NDI based Ln-BINDI MOFs,will open up an avenue to obtain more fluorescent MOFs for sensing.

关键词： Ln-MOF Pyrene molecule NACs Aldehydes Fluorescence sensing Carboxylate ligands Charge transfer Donor-acceptor systems

Advances in depressants for flotation separation of Cu–Fe sulfide minerals at low alkalinity:A critical review

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 1-17页

作者： Qicheng feng Wenhang Yang Maohan Chang Shuming Wen Dianwen Liu guang Han State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization Faculty of Land Resource EngineeringKunming University of Science and TechnologyKunming 650093China Yunnan Key Laboratory of Green Separation and Enrichment of Strategic Mineral Resources Kunming University of Science and TechnologyKunming 650093China

The flotation separation of Cu–Fe sulfide minerals at low alkalinity can be achieved using selective depressants.In the flotation system of Cu–Fe sulfide minerals,depressants usually preferentially interact with the pyrite surface to render the mineral surface hydrophilic and hinder the adsorption of the collector.This review summarizes the advances in depressants for the flotation separation of Cu–Fe sulfide minerals at low alkalinity.These advances include use of inorganic depressants (oxidants and sulfur–oxygen compounds),natural polysaccharides (starch,dextrin,konjac glucomannan,and galactomannan),modified polymers (carboxymethyl cellulose,polyacrylamide,lignosulfonate,and tricarboxylate sodium starch),organic acids (polyglutamic acid,sodium humate,tannic acid,pyrogallic acid,salicylic acid,and lactic acid),sodium dimethyl dithiocarbamate,and diethylenetriamine.The potential application of specific inorganic and organic depressants in the flotation separation of Cu–Fe sulfide minerals at low alkalinity is reviewed.The advances in the use of organic depressants with respect to the flotation separation of Cu–Fe sulfide minerals are comprehensively detailed.Additionally,the depression performances and mechanisms of different types of organic depressants on mineral surfaces are summarized.Finally,several perspectives on depressants vis-à-vis flotation separation of Cu–Fe sulfide minerals at low alkalinity are proposed.

关键词： Cu–Fe sulfide minerals flotation separation selective depressants depression mechanism

Recent development of three-dimension printed graphene oxide and MXene-based energy storage devices

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Tungsten 2024年第1期6卷 196-211页

作者： Liang-Hao Yu Xin Tao Shang-Ru feng Jin-Tao Liu Lin-Lin Zhang guang-Zhen Zhao guang Zhu Key Laboratory of Spin Electron and Nanomaterials of Anhui Higher Education Institutes Suzhou UniversitySuzhou 234000China Key Laboratory of Leather of Zhejiang Province College of Chemistry and Materials EngineeringWenzhou UniversityWenzhou 325035China

The research for three-dimension(3D)printing carbon and carbide energy storage devices has attracted widespread exploration interests.Being designable in structure and materials,graphene oxide(GO)and MXene accompanied with a direct ink writing exhibit a promising prospect for constructing high areal and volume energy density devices.This review not only summarizes the recent advances in 3D printing energy storage devices including printing methods,ink rheological properties,and different energy storage systems,but also discusses the printing methods related to energy storage.In addition,the binder or additive free of two-dimensional carbide materials is quite important for the present electrochemical energy storage devices,which also are presented.

关键词： 3D printing Two-dimensional materials Energy storage device Ink theological MXene

Pure quantum gradient descent algorithm and full quantum variational eigensolver

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Frontiers of physics 2024年第2期19卷 221-234页

作者： Ronghang Chen Zhou guang Cong Guo Guanru feng Shi-Yao Hou College of Physics and Electronic Engineering Center for Computational SciencesSichuan Normal UniversityChengdu 610068China Shenzhen SpinQ Technology Co. Ltd.Shenzhen 518045China DEEPROUTE.AI

Optimization problems are prevalent in various fields,and the gradient-based gradient descent algorithm is a widely adopted optimization method.However,in classical computing,computing the numerical gradient for a function with variables necessitates at least d+1 function evaluations,resulting in a computational complexity of O(d).As the number of variables increases,the classical gradient estimation methods require substantial resources,ultimately surpassing the capabilities of classical computers.Fortunately,leveraging the principles of superposition and entanglement in quantum mechanics,quantum computers can achieve genuine parallel computing,leading to exponential acceleration over classical algorithms in some cases.In this paper,we propose a novel quantum-based gradient calculation method that requires only a single oracle calculation to obtain the numerical gradient result for a multivariate function.The complexity of this algorithm is just O(1).Building upon this approach,we successfully implemented the quantum gradient descent algorithm and applied it to the variational quantum eigensolver(VQE),creating a pure quantum variational optimization algorithm.Compared with classical gradient-based optimization algorithm,this quantum optimization algorithm has remarkable complexity advantages,providing an efficient solution to optimization problems.The proposed quantum-based method shows promise in enhancing the performance of optimization algorithms,highlighting the potential of quantum computing in this field.

关键词： quantum algorithm gradient descent variational quantum algorithm

Exploring the Cation Regulation Mechanism for Interfacial Water Involved in the Hydrogen Evolution Reaction by In Situ Raman Spectroscopy

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Nano-Micro Letters 2024年第3期16卷 303-312页

作者： Xueqiu You Dongao Zhang Xia‑guang Zhang Xiangyu Li Jing‑Hua Tian Yao‑Hui Wang Jian‑feng Li School of Ocean Information Engineering Fujian Provincial Key Laboratory of Oceanic Information Perception and Intelligent ProcessingJimei UniversityXiamen 361021People’s Republic of China State Key Laboratory of Physical Chemistry of Solid Surfaces MOE Key Laboratory of Spectrochemical Analysis and InstrumentationiChEMCollege of Chemistry and Chemical EngineeringCollege of MaterialsCollege of EnergyXiamen UniversityXiamen 361005People’s Republic of China Key Laboratory of Green Chemical Media and Reactions Ministry of EducationCollaborative Innovation Center of Henan Province for Green Manufacturing of Fine ChemicalsCollege of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiang 453007People’s Republic of China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005People’s Republic of China

Interfacial water molecules are the most important participants in the hydrogen evolution reaction(HER).Hence,understanding the behavior and role that interfacial water plays will ultimately reveal the HER mechanism.Unfortunately,investigating interfacial water is extremely challenging owing to the interference caused by bulk water molecules and complexity of the interfacial environment.Here,the behaviors of interfacial water in different cationic electrolytes on Pd surfaces were investigated by the electrochemistry,in situ core-shell nanostructure enhanced Raman spectroscopy and theoretical simulation techniques.Direct spectral evidence reveals a red shift in the frequency and a decrease in the intensity of interfacial water as the potential is shifted in the positively direction.When comparing the different cation electrolyte systems at a given potential,the frequency of the interfacial water peak increases in the specified order:Li+

关键词： In situ Raman Interfacial water Hydrogen evolution reaction Cations

Community structure and species diversity dynamics of a subtropical evergreen broad-leaved forest in China:2005 to 2020

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Plant Diversity 2024年第1期46卷 70-77页

作者： Shi-guang Wei Lin Li Kun-Dong Bai Zhi-feng Wen Jing-Gang Zhou Qin Lin Key Laboratory of Ecology of Rare and Endangered Species and Environmental Protection(guangxi Normal University) Ministry of EducationGuilin 541004GuangxiChina School of Life&Environmental Sciences Guilin University of Electronic TechnologyGuilin 541004GuangxiChina guangxi Key Laboratory of Landscape Resources Conservation and Sustainable Utilization in Lijiang River Basin Guilin 541004GuangxiChina Key Laboratory of Vegetation Restoration and Management of South China Botanical Garden of Degraded Ecosystems Chinese Academy of SciencesGuangzhou 510650GuangdongChina Center of Plant Ecology Core Botanical GardensChinese Academy of SciencesGuangzhou 510650GuangdongChina

Here,we characterize the temporal and spatial dynamics of forest community structure and species diversity in a subtropical evergreen broad-leaved forest in China.We found that community structure in this forest changed over a 15-year period.Specifically,renewal and death of common species was large,with the renewal of individuals mainly concentrated within a few populations,especially those of Aidia canthioides and Cryptocarya concinna.The numbers of individual deaths for common species were concentrated in the small and mid-diameter level.The spatial distribution of community species diversity fluctuated in each monitoring period,showing a more dispersed diversity after the 15-year study period,and the coefficient of variation on quadrats increased.In 2010,the death and renewal of the community and the spatial variation of species diversity were different compared to other survey years.Extreme weather may have affected species regeneration and community stability in our subtropical monsoon evergreen broad-leaved forests.Our findings suggest that strengthening the monitoring and management of the forest community will help better understand the long-and short-term causes of dynamic fluctuations of community structure and species diversity,and reveal the factors that drive changes in community structure.

关键词： Community structure Death and renewal dynamics Species diversity dynamics South subtropical forest

Efficient and stable PtFe alloy catalyst for electrocatalytic methanol oxidation with high resistance to CO

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Journal of Energy Chemistry 2024年第3期90卷 327-336,I0008页

作者： Qian Yang Sifan Zhang fengshun Wu Lihua Zhu guang Li Mingzhi Chen An Pei Yingliang feng Jiangxi Provincial Key Laboratory of Functional Molecular Materials Chemistry College of Chemistry and Chemical EngineeringFaculty of Materials Metallurgy and ChemistryJiangxi University of Science and TechnologyGanzhou 341000JiangxiChina College of Chemistry and Chemical Engineering Xiamen UniversityXiamen 361005FujianChina

Direct methanol fuel cells(DMFC) are widely considered to be an ideal green energy conversion device but their widespread applications are limited by the high price of the Pt-based catalysts and the instability in terms of surface CO toxicity in long-term operation.Herein,the PtFe alloy nanoparticles(NPs) with small particle size(~4.12 nm) supported on carbon black catalysts with different Pt/Fe atomic ratios(Pt_(1)Fe_(2)/C,Pt_(3)Fe_(4)/C,Pt_(1)Fe_(1)/C,and Pt_(2)Fe_(1)/C) are successfully prepared for enhanced anti-CO poisoning during methanol oxidation reaction(MOR).The optimal atomic ratio of Pt/Fe for the MOR is 1:2,and the mass activity of Pt_(1)Fe_(2)/C(5.40 A mg_(Pt)^(-1)) is 13.5 times higher than that of conventional commercial Pt/C(Pt/C-JM)(0.40 A mg_(Pt)^(-1)).The introduction of Fe into the Pt lattice forms the PtFe alloy phase,and the electron density of Pt is reduced after forming the PtFe alloy.In-situ Fourier transform infrared results indicate that the addition of oxyphilic metal Fe has reduced the adsorption of reactant molecules on Pt during the MOR.The doping of Fe atoms helps to desorb toxic intermediates and regenerate Pt active sites,promoting the cleavage of C-O bonds with good selectivity of CO_(2)(58.1%).Moreover,the Pt_(1)Fe_(2)/C catalyst exhibits higher CO tolerance,methanol electrooxidation activity,and long-term stability than other Pt_(x)Fe_(y)/C catalysts.

关键词： Alloy catalyst PtFe Methanol oxidation In-situ FTIR CO resistance