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Bio-energy in s-Helix Protein Molecules with Three Properties of Soliton-Transported Channels

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Communications in Theoretical Physics 2007年第2X期48卷 369-376页

作者： PANG Xiao-Feng liu mei-jie Institute of Life Science and Technology University of Electronic Science and Technology of China Chengdu 610054 China International Center for Material Physics the Chinese Academy of Sciences Shenyang 110015 China

We study numerically the propagating properties of soliton-transported bio-energy excited in the a-helix protein molecules with three channels in the cases of the short-time and long-time motions and its features of collision at temperature T = 0 and biological temperature T = 300 K by the dynamic equations in the improved Davydov theory and fourth-order Runge-Kutta method, respectively. From these simulation experiments we see that the new solitons in the improved model can move without dispersion at a constant speed retaining its shape and energy in the cases of motion of both short-time or T = 0 and long time or T = 300 K and can go through each other without scattering in their collisions. In these cases its lifetime is, at least, 120 ps at 300 K, in which the soliton can travel over about 700 amino acid residues. This result is consistent with analytic result obtained by quantum perturbed theory in this model. In the meanwhile, the influences of structure disorder of a-helix protein molecules, including the inhomogeneous distribution of amino acids with different masses and fluctuations of spring constant, dipole-dipole interaction, exciton-phonon coupling constant and diagonal disorder, on the solitons are also studied by the fourth-order Runge-Kutta method. The results show that the soliton still is very robust against the structure disorders and thermal perturbation of proteins at biological temperature 300 K. Therefore we can conclude that the new soliton in the a-helix protein molecules with three channels is a possible carrier of bio-energy transport and the improved model is possibly a candidate for the mechanism of this transport.

关键词： bio-energy transport soliton protein molecule Runge-Kutta method thermal stabilization

Reduction of thermal stratification due to global warming in winter and spring

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Journal of Oceanology and Limnology 2025年第1期43卷 1-15页

作者： jie liu Jianming DENG Xiangming TANG State Key Laboratory of Lake Science and Environment Nanjing Institute of Geography and LimnologyChinese Academy of SciencesNanjing 210008China University of Chinese Academy of Sciences Beijing 100049China School of Geography and Ocean Science Nanjing UniversityNanjing 210023China

Global warming has been reported to enhance thermal stratification and decrease the mixlayer depth(MLD)in waters due to higher surface water temperatures,especially in *** studies were conducted for individual cases or specific *** present,there is a lack of global assessments on the influence of climate warming in different seasons on thermal *** ECMWF Reanalysis v5(ERA5)dataset was used to estimate the variability of water body mixing and its drivers in different seasons and *** indicate that global warming could enhance thermal stratification and decrease the MLD globally in *** speed was the primary driver of MLD changes,followed by ***,ice melt due to global warming enhanced the mixing in icecovered waters in the Northern Hemisphere,and early ice melt led to early *** depth was the primary driver of MLD changes in the Northern Hemisphere due to delayed ice formation and earlier melting,while wind speed was the primary driver in other regions or during ice-free *** enhanced mixing due to earlier ice melt out in late winter and early spring could promote water circulation and nutrient turnover,and replenish dissolved oxygen in deep water,thereby promoting the maximum biomass of cyanobacteria and advance harmful algal blooms.

关键词： global warming mix-layer depth(MLD) thermal stratification ice depth ECMWF Reanalysis v5(ERA5)dataset

Numerical simulation for large baseline interferometric imaging altimeter

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Geodesy and Geodynamics 2025年第1期16卷 111-126页

作者： jie liu Bo liu Xiaonan An Haifeng Kou Bing Li China Academy of Aerospace Science and Innovation

Sea topography information holds significant importance in oceanic research and the climate change detection. Radar imaging altimetry has emerged as the leading approach for global ocean observation,employing synthetic aperture radar(SAR) interferometry to enhance the spatial resolution of Sea topography. Nevertheless, current payload capacity and satellite hardware limitations prevent the extension of the interferometric baseline by enlarging the physical antenna size. This constraint hinders achieving centimeter-level accuracy in interferometric altimetry. To address this challenge, we conducted a numerical simulation to assess the viability of a large baseline interferometric imaging altimeter(LB-IIA). By controlling the baseline within the range of 600-1000 m through spiral orbit design in two satellites and mitigating baseline de-correlation with the carrier frequency shift(CFS) technique, we aimed to overcome the above limitations. Our findings demonstrate the efficacy of the CFS technique in compensating for baseline decoherence, elevating coherence from less than 0.1 to over 0.85. Concurrently. The height difference accuracy between neighboring sea surfaces reaches 1 cm within a 1 km resolution. This study is anticipated to serve as a foundational reference for future interferometric imaging altimeter development, catering to the demand for high-precision sea topography data in accurate global bathymetry inversion.

关键词： Sea topography Numerical simulation Carrier frequency shift (CFS) Large baseline interferometric imaging altimeter (LB-IIA)

Efficacy and Safety of Zihua Wenfei Zhisou Granule in Treatment of Postinfectious Cough: A Multicenter, Randomized, Double-Blind, Placebo-Controlled, Phase Ⅱ Clinical Trial

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Chinese Journal of Integrative Medicine 2025年第1期31卷 3-10页

作者： LI Ting liu Xue-mei YANG mei WU Yan-qing liu Wei MAO Bing JIANG Hong-li Division of Pulmonary Medicine Department of Internal MedicineInstitute of Integrated Traditional Chinese and Western MedicineWest China HospitalSichuan UniversityChengdu610041China Department of Pulmonary Diseases State Key Laboratory of Biotherapy of ChinaWest China HospitalSichuan UniversityChengdu610041China

Objective: To evaluate the efficacy and safety of Chinese medicine(CM) Zihua Wenfei Zhisou Granule(ZWZG) in postinfectious cough(PIC) patients with CM syndrome of wind-cold invading Fei(Lung,WCIF). Methods: This is a multicenter, randomized, double-blind, parallel-group, placebo-controlled phase Ⅱclinical trial. PIC patients with WCIF syndrome were recruited from the Respiratory Departments in 6 hospitals across China between March 2019 and December 2020. Eligible patients were randomly assigned to group A(ZWZG-matched placebo 15 g), group B(active ZWZG 15 g), and group C(active ZWZG 10 g plus ZWZGmatched placebo 5 g) in a 1:1:1 ratio. All medications were taken orally 3 times daily for 14 consecutive days. The primary outcomes were cough relief rate and cough disappearance rate. The secondary outcomes included time to cough relief, time to cough disappearance, and changes in cough symptom score(CSS), cough Visual Analog Scale(VAS) value, Cough-Specific Quality of Life Questionnaire(CQLQ) score, and CM syndrome score from baseline(day 0) to post-treatment(day 14). Adverse events(AEs) in each group were recorded. Results: A total of 198 patients were included in the full analysis set(FAS) and safety analysis set(SS), while 183 were enrolled in the per-protocol analysis set(PPS). In the FAS population, the cough relief rate was 47.76%, 90.77% and 84.85%in groups A, B, and C, respectively;while the cough disappearance rate was 31.34%, 72.31% and 68.18%,respectively. The cough relief rates and cough disappearance rates in groups B and C were significantly higher than group A(P<0.0001). Both the median time to cough relief and cough disappearance in groups B and C were shorter than group A(P<0.0001). Compared with group A, groups B and C showed significantly greater improvements from baseline to post-treatment in CSS during daytime and nighttime as well as VAS(P<0.05).There were no significant differences in changes from baseline to post-treatment in CQLQ and CM syndrome

关键词： postinfectious cough Zihua Wenfei Zhisou Granule randomized controlled trial Chinese medicine

Antimicrobial resistance crisis:could artificial intelligence be the solution?

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Military Medical Research 2025年第1期12卷 72-95页

作者： Guang-Yu liu Dan Yu mei-mei Fan Xu Zhang Ze-Yu Jin Christoph Tang Xiao-Fen liu Department of Immunology and Pathogen Biology School of Basic Medical SciencesHangzhou Normal UniversityKey Laboratory of Aging and Cancer Biology of Zhejiang ProvinceKey Laboratory of Inflammation and Immunoregulation of HangzhouHangzhou Normal UniversityHangzhou 311121China National Key Discipline of Pediatrics Key Laboratory of Major Diseases in Children Ministry of Education Laboratory of DermatologyBeijing Pediatric Research InstituteBeijing Children’s HospitalCapital Medical UniversityNational Center for Children’s HealthBeijing 100045China Robert and Arlene Kogod Center on Aging Mayo ClinicRochesterMN 55905USA Department of Biochemistry and Molecular Biology Mayo ClinicRochesterMN 55905USA Department of Molecular and Human Genetics Baylor College of MedicineHoustonTX 77030USA Sir William Dunn School of Pathology University of OxfordOxford OX13REUK Institute of Antibiotics Huashan HospitalFudan UniversityKey Laboratory of Clinical Pharmacology of AntibioticsNational Health Commission of the People’s Republic of ChinaNational Clinical Research Centre for Aging and MedicineHuashan HospitalFudan UniversityShanghai 200040China

Antimicrobial resistance is a global public health threat,and the World Health Organization(WHO)has announced a priority list of the most threatening pathogens against which novel antibiotics need to be *** discovery and introduction of novel antibiotics are time-consuming and *** to WHO’s report of antibacterial agents in clinical development,only 18 novel antibiotics have been approved since ***,novel antibiotics are critically *** intelligence(AI)has been rapidly applied to drug development since its recent technical breakthrough and has dramatically improved the efficiency of the discovery of novel ***,we first summarized recently marketed novel antibiotics,and antibiotic candidates in clinical *** addition,we systematically reviewed the involvement of AI in antibacterial drug development and utilization,including small molecules,antimicrobial peptides,phage therapy,essential oils,as well as resistance mechanism prediction,and antibiotic stewardship.

关键词： Antibiotic Artificial intelligence(AI) Clinical development Machine learning(ML) Antimicrobial peptide Phage therapy Antibiotic stewardship

A dopant-assisted iodide-adduct chemical ionization time-of-flight mass spectrometer based on VUV lamp photoionization for atmospheric low-molecular-weight organic acids analysis

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Journal of Environmental Sciences 2025年第3期149卷 500-511页

作者： Yonglei Zhang Ruidong liu mei Li Yingzhe Guo Jichuang Kong Keyong Hou Environment Research Institute Shandong UniversityQingdao 266237China

Formic and acetic acids are the most abundant gaseous organic acids and play the key role in the atmospheric *** iodine-adduct chemical ionizationmass spectrometry(CIMS),the low utilization efficiency of methyl iodide and humidity interference are two major issues of the vacuum ultraviolet(VUV)lamp initiated CIMS for on-line gaseous formic and acetic acids *** this work,we present a new CIMS based on VUV lamp,and the ion-molecular reactor is separated into photoionization and chemical ionization zones by a reducer *** was added to the photoionization zone,and the VUV photoionization acetone provided low-energy electrons for methyl iodide to generate I−,and the addition of acetone reduced the amount of methyl iodide by 2/*** the chemical ionization zone,a headspace vial containing ultrapure water was added for humidity calibration,and the vial changes the sensitivity as a function of humidity from ambiguity to well linear correlation(R2>0.95).With humidity calibration,the CIMS can quantitatively measure formic and acetic acids in the humidity range of 0%-88%*** this mode,limits of detection of 10 and 50 pptv are obtained for formic and acetic acids,*** the relative standard deviation(RSD)of quantitation stability for 6 days were less than 10.5%.This CIMS was successfully used to determine the formic and acetic acids in the underground parking and ambient environment of the Shandong University campus(Qingdao,China).In addition,we developed a simple model based formic acid concentration to assess vehicular emissions.

关键词： Formic acid Acetic acid Vacuum ultraviolet(VUV)lamp photoionization(PI) Chemical ionization(CI) Time-of-flight mass spectrometry (TOFMS) Trace gases measurement

Evolution and generation mechanism of retained oil in lacustrine shales: A combined ReaxFF-MD and pyrolysis simulation perspective

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Petroleum Science 2025年第1期22卷 29-41页

作者： Biao Sun Xiao-Ping liu jie liu Tian liu Zu-Xian Hua Wen-Di Peng National Key Laboratory of Petroleum Resources and Engineering China University of Petroleum (Beijing) College of Geosciences China University of Petroleum (Beijing) International Petroleum Exploration and Production Corporation SINOPEC

To accurately investigate the evolution characteristics and generation mechanism of retained oil, the study analyzed organic-rich lacustrine shale samples from the Paleogene Kongdian Formation in Cangdong Sag, Bohai Bay Basin. This analysis involves Rock-Eval pyrolysis, pyrolysis simulation experiments,Gas Chromatograph Mass Spectrometer（GC-MS）, and reactive molecular dynamics simulations（Reax FF）. The results revealed the retained oil primarily consisted of n-alkanes with carbon numbers ranging from C14to C36. The generation of retained oil occurred through three stages. A slow growth stage of production rate was observed before reaching the peak of oil production in Stage I. Stage II involved a rapid increase in oil retention, with C12-C17and C24-C32serving as the primary components,increasing continuously during the pyrolysis process. The generation process involved the cleavage of weak bonds, including bridging bonds（hydroxyl, oxy, peroxy, imino, amino, and nitro）, ether bonds, and acid amides in the first stage（Ro= 0.50%-0.75%）. The carbon chains in aromatic ring structures with heteroatomic functional groups breaks in the second stage（Ro= 0.75%-1.20%）. In the third stage（Ro= 1.20%-2.50%）, the ring structures underwent ring-opening reactions to synthesize iso-short-chain olefins and radicals, while further breakdown of aliphatic chains occurred. By coupling pyrolysis simulation experiments and molecular simulation technology, the evolution characteristics and bond breaking mechanism of retained oil in three stages were revealed, providing a reference for the formation and evolution mechanism of retained oil.

关键词： Lacustrine shale Retained oiliness evolution Pyrolysis simulation experiments ReaxFF molecular dynamics Hydrocarbon generation evolution

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基于领导跟随的欠驱动船舶编队跟踪控制

控制工程 2013年第5期20卷 980-983,989页

作者：刘杨刘美杰大连交通大学电气信息学院辽宁大连116028 大连海事大学信息科学技术学院辽宁大连116026 长春师范大学初等教育学院吉林长春130031

针对具有三自由度欠驱动水面船舶编队控制问题,提出一种基于领导跟随(Leader/Follower)结构的欠驱动水面船舶队形跟踪控制方法。当系统接收到队形控制指令,每个欠驱动水面船舶按照自己在编队中的角色进行控制,其中Leader根据任务中的队... 详细信息

针对具有三自由度欠驱动水面船舶编队控制问题,提出一种基于领导跟随(Leader/Follower)结构的欠驱动水面船舶队形跟踪控制方法。当系统接收到队形控制指令,每个欠驱动水面船舶按照自己在编队中的角色进行控制,其中Leader根据任务中的队形指令完成航迹跟踪控制,而Followers则依据Leader的信息和航行中任务中的队形指令完成航迹跟踪控制。在航迹跟踪控制中,根据期望队形任务指令为每个船舶设计需要跟踪的参考路径和速度指令;基于Lyapunov理论和重定义输出方法设计非线性速度控制器和路径跟踪控制器跟踪设计路径和速度指令;稳定性分析证明了队形跟踪误差是一致最终稳定的。仿真结果表明船舶可以跟踪任意期望曲线队形,从而验证了方法的有效性。

关键词：欠驱水面动船舶编队跟踪控制非线性理论 Leader Follower方法

Interplay between creeping fat and gut microbiota: A brand-new perspective on fecal microbiota transplantation in Crohn's disease

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World Journal of Gastroenterology 2025年第2期31卷 138-143页

作者： Ying Wang jie liu Department of Life Sciences and Medicine South District of Endoscopic CenterThe First Affiliated Hospital of University of Science and Technology of ChinaUniversity of Science and Technology of ChinaHefei 230001Anhui ProvinceChina Department of Gastroenterology The First Affiliated Hospital of University of Science and Technology of ChinaHefei 230001Anhui ProvinceChina

Inflammatory bowel disease,particularly Crohn's disease(CD),has been linked to modifications in mesenteric adipose tissue(MAT)and the phenomenon known as"creeping fat"(CrF).The presence of CrF is believed to serve as a predictor for early clinical recurrence following surgical intervention in patients with ***,the incorporation of the mesentery during ileocolic resection for CD has been correlated with a decrease in surgical recurrence,indicating the significant role of MAT in the pathogenesis of *** numerous studies have indicated that dysbiosis of the gut microbiota is a critical factor in the development of CD,the functional implications of translocated microbiota within the MAT of CD patients remain *** manuscript commentary discusses a recent basic research conducted by Wu et *** their study,intestinal bacteria from individuals were transplanted into CD model mice,revealing that fecal microbiota trans-plantation(FMT)from healthy donors alleviated CD symptoms,whereas FMT from CD patients exacerbated these ***,FMT was found to affect intestinal permeability,barrier function,and the levels of proinflammatory factors and ***,these findings suggest that targeting MAT and CrF may hold therapeutic potential for patients with ***,the study did not evaluate the composition of the intestinal microbiota of the donors or the subsequent alterations in the gut ***,the gut microbiota plays a crucial role in the histopathology of CD,and thus,targeting MAT and CrF may represent a promising avenue for treatment in this patient population.

关键词： Crohn's disease Mesenteric adipose tissue Creeping fat Fecal microbiota transplantation Gut microbiota