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Combining Neutron Scattering,Deuteration Technique,and Molecular Dynamics Simulations to Study Dynamics of Protein and Its Surface Water Molecules

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Chinese Journal of Polymer Science 2019年第11期37卷 1083-1091页

作者： li-rong zheng liang Hong School of Physics and Astronomy Shanghai Jiao Tong University Shanghai 200240 China Institute of Natural Sciences Shanghai Jiao Tong University Shanghai 200240 China

Protein internal dynamics is essential for its function. Exploring the internal dynamics of protein molecules as well as its connection to protein structure and function is a central topic in biophysics. However, the atomic motions in protein molecules exhibit a great degree of complexities. These complexities arise from the complex chemical composition and superposition of different types of atomic motions on the similar time scales, and render it challenging to explicitly understand the microscopic mechanism governing protein motions, functions, and their connections. Here, we demonstrate that, by using neutron scattering, molecular dynamics simulation, and deuteration technique, one can address this challenge to a large extent.

关键词： Neutron scattering Deuteration techniques Molecular dynamics simulations Protein Hydration water Dynamics

Design and simulation of a standing wave oscillator based PLL

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Frontiers of Information Technology & Electronic Engineering 2016年第3期17卷 258-264页

作者： Wei ZHANG You-de HU li-rong zheng State Key Lab of ASIC & System Fudan University Pack Vinn Excellence Center School of ICTRoyal Institute of Technology (KTH) Eletrum 229

A standing wave oscillator(SWO) is a perfect clock source which can be used to produce a high frequency clock signal with a low skew and high reliability. However, it is difficult to tune the SWO in a wide range of frequencies. We introduce a frequency tunable SWO which uses an inversion mode metal-oxide-semiconductor(IMOS) field-effect transistor as a varactor, and give the simulation results of the frequency tuning range and power dissipation. Based on the frequency tunable SWO, a new phase locked loop(PLL) architecture is presented. This PLL can be used not only as a clock source, but also as a clock distribution network to provide high quality clock signals. The PLL achieves an approximately 50% frequency tuning range when designed in Global Foundry 65 nm 1P9 M complementary metal-oxide-semiconductor(CMOS) technology, and can be used directly in a high performance multi-core microprocessor.

关键词： Standing wave oscillator (SWO) Clock distribution Phase locked loop (PLL) Varactor

Heterostructures of NiFe LDH hierarchically assembled on MoS_(2) nanosheets as high-efficiency electrocatalysts for overall water splitting

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Chinese Chemical Letters 2022年第11期33卷 4761-4765页

作者： Xiao-Peng li li-rong zheng Si-Jie liu Ting Ouyang Siyu Ye Zhao-Qing liu School of Chemistry and Chemical Engineering/Institute of Clean Energy and Materials/Guangzhou Key Laboratory for Clean Energy and Materials//Key Laboratory for Water Quality and Conservation of the Pearl River Delta Ministry of EducationGuangzhou UniversityGuangzhou 510006China

Typically,rational interfacial engineering can effectively modify the adsorption energy of active hydrogen molecules to improve water splitting *** layered double hydroxide(NiFe LDH)composite,an efficient oxygen evolution reaction(OER)catalyst,suffers from slow hydrogen evolution reaction(HER)kinetics,restricting its application for overall water ***,we construct the hierarchical MoS_(2)/NiFe LDH nanosheets with a heterogeneous interface used for HER and *** the hierarchical heterogeneous interface optimized hydrogen Gibbs free energy,tens of exposed active sites,rapid mass-and charge-transfer processes,the MoS_(2)/NiFe LDH displays a highly efficient synergistic electrocatalytic *** MoS_(2)/NiFe LDH electrode in 1 mol/L KOH exhibits excellent HER activity,only 98 mV overpotential at 10 mA/cm^(2).Significantly,when it assembled as anode and cathode for overall water splitting,only 1.61 V cell voltage was required to achieve 10 mA/cm^(2)with excellent durability(50 h).

关键词： Transition metal compound Electrocatalysts Hydrogen evolution reaction Oxygen evolution reaction Overall water splitting

Integration of Fe_(2)O_(3)-based photoanode and atomically dispersed cobalt cathode for efficient photoelectrochemical NH_(3) synthesis

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Chinese Chemical Letters 2021年第2期32卷 805-810页

作者： Weikang Wang Shengbo Zhang Yanyan liu li-rong zheng Guozhong Wang Yunxia Zhang Haimin Zhang Huijun Zhao Key Laboratory of Materials Physics Centre for Environmental and Energy NanomaterialsAnhui Key Laboratory of Nanomaterials and NanotechnologyCAS Center for Excellence in NanoscienceInstitute of Solid State PhysicsChinese Academy of SciencesHefei 230031China University of Science and Technology of China Hefei 230026China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China Centre for Clean Environment and Energy Griffith UniversityCold Coast CampusQLD 4222Australia

Realizing nitrogen reduction reaction(NRR) to synthesis NH_(3) under mild conditions has gained extensive attention as a promising alternative way to the energy-and emission-intensive Haber-Bosch *** varieties of potential strategies,photoelectrochemical(PEC) NRR exhibits many advantages including utilization of solar energy,water(H_(2)O) as the hydrogen source and ambient operation ***,we have designed a solar-driven PEC-NRR system integrating high-efficiency Fe_(2)O_(3)-based photoanode and atomically dispersed cobalt(Co) cathode for ambient NH3 *** such solar-driven PEC-NRR system,high-efficiency Fe_(2)O_(3)-based photoanode is responsible for H_(2)O/OH oxidatio n,and meanwhile the generated photoelectrons transfer to the single-atom Co cathode for the N_(2) reduction to NH_(3).As a result,this system can afford an NH_(3) yield rate of 1021.5 μg mg_(co)^(-1) h^(-1) and a faradic efficiency of 11.9% at an applied potential bias of 1.2 V(versus reversible hydrogen electrode) on photoanode in 0.2 mol/L NaOH electrolyte under simulated sunlight irradiation.

关键词： PEC-NRR Co-SAC CoPi/Ti-Fe_(2)O_(3) NH3 synthesis Photoelectrochemisty

Biodegradation of Pentachloronitrobenzene by Labrys portucalensis pcnb-21 Isolated from Polluted Soil

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Pedosphere 2011年第1期21卷 31-36页

作者： li rong zheng Jin-Wei NI Bin CHEN Kai YANG Xiu-Juan li Shun-Peng JIANG Jian-Dong Key Laboratory of Microbiological Engineering of Agricultural Environment Ministry of Agriculture College of Life Sciences Nanjing Agricultural University Nanjing 210095 (China)

A bacterial strain, pcnb-21, capable of degrading pentaehloronitrobenzene （PCNB） under aerobic and anoxic conditions, was isolated from a long-term PCNB-polluted soil by an enrichment culture technique and identified as Labrys portucalensis based upon its morphological, physiological and biochemical properties, as well as 16S rRNA gene sequence analysis. Effects of different factors, such as temperature and pH, on PCNB biodegradation were studied. Strain pcnb-21 efficiently degraded PCNB at temperatures from 20 to 30 ℃ and initial pH values from 4 to 7, which might be the first time that a Labrys strain was found capable of eflClciently degrading PC1NB. The degradation of PCNB was affected by oxygen, and the degradation decreased with increasing aeration. Exogenous electron donors such as glucose, lactic acid and succinic acid promoted the biodegradation of PCNB, while electron acceptors such as sodium nitrite, sodium sulfate, sodium nitrate and sodium sulfate inhibited PCNB biodegradation. The degradation of PCNB in sterile and non-sterile soils by a green fluorescent protein （GFP）-labeled strain, pcnb-21-gfp, was also studied. Cells of pcnb-21-gfp efficiently degraded 100 mg kg-1 PCNB in sterile and non-sterile soils and could not be detected after 42 days. Strain pcnb-21 might be useful in bioremediating PCNB-polluted soils and environment.

关键词： aeration bacterial strain electron acceptors electron donors sterile soil

In-situ constructed Cu/CuNC interfaces for low-overpotential reduction of CO2 to ethanol

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National Science Review 2023年第4期10卷 105-113页

作者： Yan Yang Jiaju Fu Yixin Ouyang Tang Tang Yun Zhang li-rong zheng Qing-Hua Zhang Xiao-Zhi liu Jinlan Wang Jin-Song Hu Beijing National Laboratory for Molecular Sciences (BNLMS) CAS Key Laboratory of Molecular Nanostructure and Nanotechnology Institute of Chemistry Chinese Academy of Sciences Research Institute Zhejiang Tiandi Environmental Protection Technology Co.Ltd University of Chinese Academy of Sciences School of Physics Southeast University Institute for Advanced Study Shenzhen University Institute of High Energy Physics Chinese Academy of Sciences Institute of Physics Chinese Academy of Sciences

Electrochemical CO2reduction(ECR) to high-value multi-carbon(C2+) products is critical to sustainable energy conversion, yet the high energy barrier of C-C coupling causes catalysts to suffer high overpotential and low selectivity toward specific liquid C2+products. Here, the electronically asymmetric Cu-Cu/Cu-N-C(Cu/Cu NC) interface site is found, by theoretical calculations, to enhance the adsorption of*CO intermediates and decrease the reaction barrier of C-C coupling in ECR, enabling efficient C-C coupling at low overpotential. The catalyst consisting of high-density Cu/Cu NC interface sites(noted as ER-Cu/CuNC) is then accordingly designed and constructed in situ on the high-loading Cu-N-C single atomic catalysts. Systematical experiments corroborate the theoretical prediction that the ER-Cu/Cu NC boosts electrocatalytic CO2-to-ethanol conversion with a Faradaic efficiency toward C2+of 60.3%(FEethanol of 55%) at a low overpotential of-0.35 V. These findings provide new insights and an atractive approach to creating electronically asymmetric dual sites for efficient conversion of CO2to C2+products.

关键词： Cu/CuNC interface low overpotential CO2 reduction ethanol electrocatalysis

Structural Properties of Ions and Polyelectrolytes in Aqueous Solutions under External Electric Fields:The Sign Effect

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Chinese Journal of Polymer Science 2024年第9期42卷 1341-1352,I0007页

作者： Cheng-Jiang lin Jun-Jun Wang Yuan Jiang Shu-li Chen Hong-Fei li Wen-Han Zhao Qing-rong Huang Chang-Ru rong Xiao-zheng Duan State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei230026China National Key Laboratory of Advanced Vehicle Integration and Control China FAW Group Co.Ltd.Changchun130013China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200438China Department of Food Science Rutgers University65 Dudley RoadNew BrunswickNew Jersey08901USA

We utilize molecular dynamics simulations to investigate the microstructures of ions and polyelectrolytes in aqueous solutions under external electric *** focusing on the multi-body interactions between ionic components and H_(2)O molecules,as well as their responses to the external electric fields,we clarify several nontrivial molecular features of the ionic and polyelectrolyte solutions,such as the solvations of cations and anions,clustering of the ions,and dispersions/aggregations of polyelectrolyte chains,as well as the corresponding responses of H_(2)O molecules in these *** simulations illustrate the variations in structures of ionic solutions caused by reversing the charge sign of the ions,and elucidate the disparity in structures between anionic and cationic polyelectrolyte solutions in the presence of the external electric *** work clarifies the mechanism for the alternations in complex multi-body interactions in aqueous solutions caused by the application electric field,which can contribute to the fundamental understanding of the physical and chemical natures of ion-containing and charged polymeric systems.

关键词： Polyelectrolyte Ions Aqueous solutions External electric fields Asymmetric dipole

特定模型与GIS结合的生态系统服务功能评价及分区研究——以黔北芙蓉江流域绥正道地区为例

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贵州地质 2024年第3期41卷 328-338页

作者：龚芯磊陈鸿申胡世敏李正荣聂坤梁龙贵州省地质矿产勘查开发局106地质大队贵州遵义563000 贵州汇都地矿集团有限责任公司贵州遵义563000

黔北芙蓉江流域绥(阳)正(安)道(真)地区是以“三区四带”为核心的全国重要生态系统保护和修复重大工程总体布局中长江重点生态区的重要组成部分,是长江上游重要的生态安全屏障,对其开展生态系统服务功能评价及生态功能区划是区域生态系... 详细信息

黔北芙蓉江流域绥(阳)正(安)道(真)地区是以“三区四带”为核心的全国重要生态系统保护和修复重大工程总体布局中长江重点生态区的重要组成部分,是长江上游重要的生态安全屏障,对其开展生态系统服务功能评价及生态功能区划是区域生态系统全要素一体化保护和系统治理的重要基础。本研究基于水量平衡方程模型、RUSLE模型及NPP模型并与GIS结合,建立了区域生态系统服务功能评价与分区体系,在识别现有状态的基础上规划未来,使其各区域能更好的承担相应生态系统服务功能。研究结果显示:研究区生态系统服务功能重要性中等以上的面积为5166.11 km^(2),占区域总面积的70.85%。研究区生态系统服务功能重要性整体较高,主要分布在道真县西部、北部和中部,正安县中部及绥阳县北部等区域。在指标提取与遥感解译的基础上依据生态调节功能、产品提供功能及人居保障功能对区域生态功能进行分区。针对各类生态功能区的主要生态问题,提出了生态保护方向与限制、禁止措施,并划分出6个重要生态功能区作为区域保护修复的重点区,为区域山水林田湖草沙一体化保护和系统治理等生态保护修复工程提供重点靶区与实施路径参考。

关键词：水量平衡方程 RUSLE模型 NPP模型生态系统服务功能评价生态功能分区

Management of venous stenosis in living donor liver transplant recipients

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World Journal of Gastroenterology 2009年第39期15卷 4969-4973页

作者： Jie Yang Ming-Qing Xu Lu-Nan Yan Wu-Sheng Lu Xiao li zheng-rong Shi Bo li Tian-Fu Wen Wen-Tao Wang Jia-Ying Yang Department of liver and Vascular Surgery West China Hospital Sichuan University Chengdu 610041 Sichuan Province China

AIM:To retrospectively evaluate the management and outcome of venous obstruction after living donor liver transplantation(LDLT).METHODS:From February 1999 to May 2009,1 intraoperative hepatic vein(HV) tension induced HV obstruction and 5 postoperative HV anastomotic stenosis occurred in 6 adult male LDLT *** portal vein(PV) anastomotic stenosis occurred in 1 pediatric left lobe *** ranged in age from 9 to 56 years(median,44 years).An air balloon was used to correct the intraoperative HV *** surgical reoperation,transjugular HV balloon dilatation with stent placement and transfemoral venous HV balloon dilatation was performed for HV stenosis on days 3,15,50,55,and 270 after LDLT,*** dilatation followed with stent placement via superior mesenteric vein was performed for the pediatric PV stenosis 168 d after ***:The intraoperative HV tension was corrected with an air *** recipient who underwent emergent reoperation for hepatic stenosis died of hemorrhagic shock and renal failure 2 d *** balloon dilatation via the transjugular and transfemoral venous approach was technically successful in all *** patient with early-onset HV stenosis receiving transjugular balloon dilatation and stent placement on the 15th postoperative day left hospital 1 wk later and disappeared,while the patient receiving the same interventional procedures on the 50th postoperative day died of graft failure and renal failure 2 wk *** patients with late-onset HV stenosis receiving balloon dilatation have survived for 8 and 4 mo without recurrent stenosis and ascites,*** dilatation and stent placement via the superior mesenteric venous approach was technically successful in the pediatric left lobe LDLT,and this patient has survived for 9 mo without recurrent PV stenosis and ***:Intraoperative balloon placement,emergent reoperation,proper interventional balloon dilatation and

关键词： living donor liver transplantation Venous obstruction Anastomotic stenosis Venoplasty Stent