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Studies on the analytical potential energy function of diatomic molecular ion XY^+ using variational method

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Science China(Physics,Mechanics & Astronomy) 2004年第2期47卷 154-164页

作者： LIU Guoyue1,3, SUN Weiguo1,2 & FENG Hao1 1. Institute of Physics, sichuan University, chengdu 610065, China 2. College of Chemical Engineering, sichuan University, chengdu 610065, China 3. Mianyang Teacher抯 College, Mianyang 621000, China Correspondence should be addressed to Sun Weiguo (e-mail: weiguosun@*** or guoyueliu@ ***) 1. Institute of Physics Sichuan University 610065 Chengdu China 2. Mianyang Teacher's College 621000 Mianyang China 3. College of Chemical Engineering Sichuan University 610065 Chengdu China

A new analytical potential energy function for diatomic molecular ion XY+ is proposed based on the energy consistent method (ECM). The Coulomb potential included in the new ionic potential contains multipole corrections, converges quickly and is variationally, changeable. The new potential and the ECM are applied to variationally studying the potential energies of eight electronic states of several diatomic molecular ions: the A2π state of CO+, the X2∑ g + state of Li 2 + , the X2∑ g + state of He 2 + , the 12∏u state of Na 2 + , the A2∏u state of N 2 + , the X1∑+ state of KrH+, the X2∑+ state of SiO+ and the A2π state of SO+ ion. The present results agree excellently with the experiment-based Rydberg-Klein-Rees (RKR) potentials, and are superior to the commonly used Huxley-Murrell-Sorbie (HMS) analytical potentials, and are better in some cases than some quantum mechanicalab initio potentials in the ionic asymptotic and dissociation regions.

关键词： potential energy, diatomic ion, electronic state, variational method.

Global and Comparative Proteome Analysis of Nitrogen-Stress Responsive Proteins in the Root, Stem and Leaf of Brassica napus

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Phyton-International Journal of Experimental Botany 2023年第3期92卷 645-663页

作者： Liang Chai Cheng Cui Benchuan Zheng Jinfang Zhang Jun Jiang Haojie Li Liangcai Jiang Crop Science Institute Sichuan Academy of Agricultural SciencesChengdu610066China Environment-Friendly Crop Germplasm Innovation and Genetic Improvement Key Laboratory of sichuan Province Chengdu610066China

Nitrogen(N)is one of the basic nutrients and signals for plant development and deficiency of it would always limit the productions of crops in the *** research on expression of N-stress responsive proteins on a proteome level remains *** order to gain a deep insight into the proteins responding to nitrogen stress in rapeseed(Brassica napus L.),comparative proteomic analysis was performed to investigate changes of protein expression profiles from the root,stem and leaf under different N concentrations,*** than 200 differential abundance proteins(DAPs)were detected and categorized into groups according to annotations,including“binding and catalytic activity”,“involved in primary metabolism and cellular processes”,“stress-response”and so *** in chlorophyll(Chl)content and antioxidant activities further revealed that oxidative stress raised with the increase of N *** analysis based on the expression level of total proteins suggested these DAPs might play important roles in adaptation to N-stress ***,these results provides a new aspect into N-stress responding proteins in Brassica plants.

关键词： Brassica napus nitrogen(N)response oxidative stress proteomics

Tuning the selectivity of natural oils and fatty acids/esters deoxygenation to biofuels and fatty alcohols:A review

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Green Energy & Environment 2023年第3期8卷 722-743页

作者： Yingdong Zhou Javier Remon Zhicheng Jiang Avtar S.Matharu Changwei Hu Key Laboratory of Green Chemistry and Technology Ministry of EducationCollege of ChemistrySichuan UniversityChengduSichuan 610064China Instituto de Carboquímica CSICZaragoza50018Spain Department of Biomass Science and Engineering Sichuan UniversityChengdu610064China National Engineering Research Center of Clean Technology in Leather Industry Sichuan UniversityChengdu610064China Green Chemistry Centre of Excellence Department of ChemistryUniversity of YorkHeslingtonYorkYO105DDUK

The chemical transformation of natural oils provides alternatives to limited fossil fuels and produces compounds with added value for the chemical *** selective deoxygenation of natural oils to diesel-ranged hydrocarbons,bio-jet fuels,or fatty alcohols with controllable selectivity is especially attractive in natural oil feedstock *** review presents recent progress in catalytic deoxygenation of natural oils or related model compounds(e.g.,fatty acids)to renewable liquid fuels(green diesel and bio-jet fuels)and valuable fatty alcohols(unsaturated and saturated fatty alcohols).Besides,it discusses and compares the existing and potential strategies to control the product selectivity over heterogeneous *** research conducted and reviewed has only addressed the production of one category;therefore,a new integrative vision exploring how to direct the process toward fuel and/or chemicals is urgently ***,work conducted to date addressing the development of new catalysts and studying the influence of the reaction parameters(e.g.,temperature,time and hydrogen pressure)is summarized and critically discussed from a green and sustainable perspective using efficiency indicators(e.g.,yields,selectivity,turnover frequencies and catalysts lifetime).Special attention has been given to the chemical transformations occurring to identify key descriptors to tune the selectivity toward target products by manipulating the reaction conditions and the structures of the ***,the challenges and future research goals to develop novel and holistic natural oil biorefineries are *** a result,this critical review provides the readership with appropriate information to selectively control the transformation of natural oils into either biofuels and/or value-added *** new flexible vision can help pave the wave to suit the present and future market needs.

关键词： Natural oil Deoxygenation Controllable selectivity Biofuels Fatty alcohols

Simulation of Interference Nanolithography of Second-Exciting Surface-Plasmon Polartions for Metal Nanograting Fabrication

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Chinese Physics Letters 2011年第1期28卷 205-207页

作者： LIANG Hui-Min WANG Jing-Quan College of Science Hebei University of Engineering Handan 056038 Department of Physics Sichuan University Chengdu 610064

Second-exciting surface-polasmon-polariton （SPP） interference lithography （SE-SPPIL） designed by an improving attenuated total reflection （ATR） mode is suggested for fabricating metal nanograting. A metal film coated under a prism excites SPP first, and then the SPP energy transmits into another metal film and launches SPP again. An interlayer between two metal films is a thin resist coated on the second metal film. An interference nanopattern is formed in the resist when two SPP waves are launched symmetrically. After development, chemical or physical etching, the nanopattern is transferred into the metal film. A random thickness metal grating can be achieved as the thickness of the second metal film does not influence the interference pattern intensity. This scheme is promising for fabricating metal nanograting at low cost.

关键词： Condensed matter: electrical, magnetic and optical Optics, quantum optics and lasers Nanoscale science and low-D systems

A new type of plunge pool―Multi-horizontal submerged jets

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Science China(Technological Sciences) 2008年第12期51卷 2128-2141页

作者： DENG Jun,XU WeiLin,ZHANG JianMing,QU JinXue & YANG YongQuan State Key Laboratory of Hydraulics and Mountain River Engineering,sichuan University,chengdu 610065,China State Key Laboratory of Hydraulics and Mountain River Engineering Sichuan University Chengdu 610065 China

Based on the understanding of the mechanism of energy dissipation,a new type of plunge pool is presented with the advantages of high rate of energy dissipation,low impact pressure,and small close-to-bed velocity on the soleplate of the plunge *** first advantage owes to enlarged shearing energy dissipation areas in the plunge pool,while the other two are caused by the jet that enters in a nearly horizontal level to keep the soleplate from being scoured *** of the above arrangements make this new type of energy dissipator distinct from the underflow energy *** experiments on the physical model,the authors found that the water flow maintained stable and submerged in horizontal direction when the flow was narrow in horizontal but thick in vertical ***,the wide flat nappe was ready to submerge or float as the downstream water level rised or *** entire flow fields of multi-horizontal submerged jets into plunge pool were also numerically *** numerical results of water surface curve,close-to-bed velocity and floor pressure agree well with the experimental *** flow pattern in the plunge pool was analyzed after combining the laboratory data and numerical simulation.

关键词： hydraulic engineering 3-D flow field numerical simulation plunge pool submerged jets

纤维蛋白原与白蛋白比值对成人体外膜肺氧合出血并发症的预测价值

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中国胸心血管外科临床杂志 2024年第9期31卷 1319-1326页

作者：李凡赖巍姚华康焰四川大学华西医院重症医学科成都610041

目的研究纤维蛋白原与白蛋白比值(fibrinogen-albumin-ratio,FAR)在成人体外膜肺氧合(extracorporeal membrane oxygenation,ECMO)出血并发症中的临床价值。方法回顾性收集2018—2020年四川大学华西医院成人ECMO患者的临床资料。根据使... 详细信息

目的研究纤维蛋白原与白蛋白比值(fibrinogen-albumin-ratio,FAR)在成人体外膜肺氧合(extracorporeal membrane oxygenation,ECMO)出血并发症中的临床价值。方法回顾性收集2018—2020年四川大学华西医院成人ECMO患者的临床资料。根据使用ECMO后是否出血,将患者分为出血组和未出血组。采用逻辑回归分析FAR与出血的关系、死亡的危险因素,使用受试者工作特征(receiver operating characteristic,ROC)曲线和曲线下面积(area under the curve,AUC)分析FAR的预测能力。根据预测出血并发症的FAR最佳截断值将患者分为高危组和低危组,比较两组患者出血的发生情况。结果共纳入125例患者,其中男85例、女40例,年龄46.00(31.50,55.50)岁。58例患者接受静脉-动脉体外膜肺氧合(veno-arterial extracorporeal membrane oxygenation,VA-ECMO)治疗,67例患者接受静脉-静脉体外膜肺氧合(veno-venous extracorporeal membrane oxygenation,VV-ECMO)治疗。发生出血49例。与未出血组相比,出血组乳酸水平较高(P=0.026),上机前和上机24 h血小板计数较低(P=0.031、0.020),上机24 h纤维蛋白原水平较低(P=0.049),心肌炎患者比例更高(P=0.017)。ECMO支持模式亚组分析结果显示,VA-ECMO亚组较高的D-二聚体、全血乳酸和较低的上机前FAR、上机24 h FAR与出血相关(P=0.017、0.011、0.033、0.005)。上机24 h FAR与VA-ECMO患者出血独立相关(P=0.048),AUC为0.714,预测出血的最佳截断值为55.73;根据最佳截断值,高危组患者25例(≤55.73),低危组患者33例(>55.73)。与低危组相比,高危组出血发生率更高(未经调整P=0.002;多变量调整P=0.013)。VVECMO亚组FAR与出血无相关性(P均>0.05)。结论较低的上机24 h FAR是VA-ECMO患者出血的独立危险因素,诊断临界值为55.73。

关键词：体外膜肺氧合出血纤维蛋白原白蛋白

A system consisted of flame ionization detector and sulfur chemiluminescence detector for interference free determination of total sulfur in natural gas

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Chinese Chemical Letters 2017年第8期28卷 1670-1674页

作者： Yi Pan Zhi-Ang Li Xin Zhou Wei-Kang Wang Xing Wang Zheng Fang Cheng-Bin Zheng Institute of Chemistry National Institute of Measurement and Testing TechnologyChengdu 610021China College of Chemistry Sichuan UniversityChengdu 610064China

A new detection system consisted of a flame ionization detector（FID） and a sulfur chemiluminescence detector（SCD） was developed for sensitive and interference free determination of total sulfur in natural gas by non-separation gas chromatography. In this system, sulfur containing compounds and hydrocarbons were firstly burned in the FID using oxygen rich flame and converted to SO_2, CO_2 and H_2O, respectively. The products from FID were transported into the SCD with hydrogen rich atmosphere wherein only SO_2 could be reduced to SO and reacted with O_3 to produce characteristic chemiluminescence. Therefore, the chemiluminescence of CO found in conventional SCD were eliminated because CO_2 could not be reduced to CO under these conditions. The experimental parameters were systematically investigated. Limit of detection obtained by the proposed system is better than 0.5 mmol/mol for total sulfur and superior to those previously reported. The proposed method not only retains the advantages of the conventional SCD but also provides several unique advantages including no hydrocarbon interference, better stability, and easier calculation. The utility of this technique was demonstrated by the determination of total sulfur in real samples and two certified reference materials（GBW 06332 and GBW（E） 061320）.

关键词： Flame ionization detector Sulfur chemiluminescence detector Total sulfur Interference free determination Natural gas

Relations between the Underground Biomass and Soil Organic Carbon and Nitrogen of the Alpine Meadow at the Eastern Margin of the Qinghai-Tibet Plateau

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Wuhan University Journal of Natural Sciences 2008年第3期13卷 324-330页

作者： ZHANG Hong GAO Linan Faculty of Geography Recourses Sciences Sichuan NormalUniversity Chengdu 610066 Sichuan China

This article, by combining field investigation with laboratorial analysis, studies diverse alpine meadow at the Eastern Margin of the Qinghai-Tibet Plateau for the underground biomass dynamics, vertical distribution of the content of soil carbon and nitrogen, the connection between the biomass and the content of carbon and nitrogen. The studies show that underground biomass in the herb layer of upland meadow is more than that in the terrace meadow, while underground biomass in the upland shrubland is the most. The vertical distribution of underground biomass of each type is obvious as in shape of＂T＂. As to the distribution of the content of soil organic carbon in the three sample grounds, it showed that the deeper the soil the less the content of soil organic carbon. In May, unlike at terrace meadow, the underground biomass and the content of soil organic carbon in positive proportion, such revelation at upland meadow and upland shrubland is not apparent. In July, at upland meadow and terrace meadow the underground biomass and the content of soil total nitrogen in positive proportion, such revelation at upland shrubland is not apparent either.

关键词： alpine meadow underground biomass soil organic carbon: soil total nitrogen: soil avail nitrogen

RAD-seq data reveals robust phylogeny and morphological evolutionary history of Rhododendron

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Horticultural Plant Journal 2024年第3期10卷 866-878页

作者： Yuanting Shen Gang Yao Yunfei Li Xiaoling Tian Shiming Li Nian Wang Chengjun Zhang Fei Wang Yongpeng Ma Yunnan Key Laboratory for Integrative Conservation of Plant Species with Extremely Small Populations Kunming Institute of BotanyChinese Academy of SciencesKunmingYunnan 650201China Key Laboratory for Plant Diversity and Biogeography of East Asia Kunming Institute of BotanyChinese Academy of SciencesKunmingYunnan 650201China University of Chinese Academy of Sciences Beijing 100049China Beijing Genomics of Institute ShenzhenGuangdong 518120China Guiyang Institute of Humanities and Technology GuiyangGuizhou 550025China State Forestry and Grassland Administration Key Laboratory of Silviculture in Downstream Areas of the Yellow River College of ForestryShandong Agricultural UniversityTai'anShandong 271018China The Southwest China of Germplasm Bank of Wild Species Kunming Institute of BotanyChinese Academy of SciencesKunmingYunnan 650201China West China Subalpine Botanical Garden Institute of BotanyChinese Academy of SciencesChengduSichuan 611834China

Rhododendron is famous for its high ornamental ***,the genus is taxonomically difficult and the relationships within Rhododendron remain *** addition,the origin of key morphological characters with high horticulture value need to be *** problems largely hinder utilization of germplasm *** studies attempted to disentangle the phylogeny of Rhododendron,but only used a few genomic markers and lacked large-scale sampling,resulting in low clade support and contradictory phylogenetic ***,we used restriction-site associated DNA sequencing(RAD-seq)data and morphological traits for 144 species of Rhododendron,representing all subgenera and most sections and subsections of this species-rich genus,to decipher its intricate evolutionary history and reconstruct ancestral *** results revealed high resolutions at subgenera and section levels of Rhododendron based on RAD-seq *** optimal phylogenetic tree and split tree recovered five lineages among ***(cladeⅠ)formed the basal *** and Azaleastrum formed cladeⅡand had sister ***Ⅲincluded all scaly rhododendron ***(cladeⅣ)formed a sister group to ***(cladeⅤ).The results of ancestral state reconstruction showed that Rhododendron ancestor was a deciduous woody plant with terminal inflorescence,ten stamens,leaf blade without scales and broadly funnelform corolla with pink or purple *** study shows significant distinguishability to resolve the evolutionary history of Rhododendron based on high clade support of phylogenetic tree constructed by RAD-seq *** also provides an example to resolve discordant signals in phylogenetic trees and demonstrates the application feasibility of RAD-seq with large amounts of missing data in deciphering intricate evolutionary ***,the reconstructed ancestral state of six important characters provides insights into the inn

关键词： Rhododendron RAD-seq Missing data Quartet sampling(QS) Ancestral state reconstruction