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Analysis of Off-State Leakage Current Characteristics and Mechanisms of Nanoscale MOSFETs with a High-k Gate Dielectric

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Chinese Physics Letters 2012年第12期29卷 181-184页

作者： liu hong-xia MA Fei Key Laboratory of Wide Bandgap Semiconductor Materials and Devices of Ministry of Education Xidian UniversityXi'an 710071

The off-state leakage current characteristics of nanoscale channel metal-oxide-semiconductor field-effect transistors with a high-k gate dielectric are thoroughly *** off-state leakage current can be divided into three components:the gate leakage current,the source leakage current,and the substrate leakage *** influences of the fringing-induced barrier lowering effect and the drain-induced barrier lowering effect on each component are investigated *** nanoscale devices with high-k gates,the source leakage current becomes the major component of the off-state leakage current.

关键词： MOSFETs barrier component

Studies of n-Octanol/water Partition Coefficients (lgK_(ow)) for Organophosphate Compounds by Density Functional Theory

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Chinese Journal of Structural Chemistry 2007年第3期26卷 367-373页

作者： liu hong-xia WANG Zun-Yao ZHAI Zhi-Cai liu hong-Yan WANG Lian-Sheng Department of Material and Chemical Engineering Guilin Institute of Technology Guangxi 541004 China School of Biological and Chemical Engineering Jiaxing University Zhejiang 314001 China State Key Laboratory of Pollution Control and Resources Reuse School of the Environment Nanjing University Nanjing 210093 China

Optimized calculation of 35 dialkyl phenyl phosphate compounds （OPs） was carded out at the B3LYP/6-31G^＊ level in Gaussian 98 program. Based on the theoretical linear solvation energy relationship （TLSER） model, the obtained parameters were taken as theoretical descriptors to establish the novel QSPR model for predicting n-octanol/water partition coefficients （lgKow） of OPs. The new model achieved in this work contains three variables, i.e., molecular volume （Vm）, dipole moment of the molecules （μ） and enthalpy （H^0）. For this model, R^2 = 0.9167 and SD = 0.31 at large t values. In addition, the variation inflation factors （VIF） of variables are all close to 1.0, suggesting high accuracy of the predicting model. And the results of cross-validation test （q^2 = 0.8993） and method validation also showed the model of this study exhibited optimum stability and better predictive power than that from semi-empirical method. The model achieved can be used to predict IgKow of congeneric compounds.

关键词： organophosphate compounds (OPs) n-octanol/water partition coefficients (Kow) quantitative structure-property relationship (QSPR) density functional theory (DFT)

Changes in Activities of Antioxidant-Related Enzymes in Leaves of Resistant and Susceptible Wheat Inoculated with Rhizoctonia cerealis

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Agricultural Sciences in China 2011年第4期10卷 526-533页

作者： liu hong-xia XIN Zhi-yong ZHANG Zeng-yan National Key Facility for Crop Gene Resources and Genetic Improvement~Institute of Crop Sciences Chinese Academy of AgriculturalSciences Beijing 100081 P.R. China

In this study, the changes in activities of peroxidase （POD）, glutathione S-transferase （GST）, catalase （CAT）, and superoxide distmuase （SOD） in leaves of four wheat cultivars, including resistant cultivars Shannong 0431 and Shanhongmai, a mildsusceptible cultivar Lumai 21, and a susceptible cultivar Wenmai 6, were investigated to explore if these antioxidantrelated enzymes were involved in wheat defense response to Rhizoctonia cerealis attack. Results showed that the activities of these enzymes in different wheat cultivars varied greatly after challenging with R. cerealis. The POD activities in resistant cultivars Shannong 0431 and Shanhongmai increased much quicker after the inoculation and displayed much higher activity than that in susceptible cultivar Wenmai 6. In contrast, POD activity showed a slow accumulation and a delayed peak time. The activities of GST and CAT in Shannong 0431 and Lumai 21 increased obviously within 48 h post inoculation （hpi）, whereas SOD activity decreased dramatically within 24 hpi in Shannong 0431 and 24-48 hpi in Lumai 21. In susceptible cultivar Wenmai 6, the SOD and CAT activities didn’t change obviously, whereas the activity of GST was decreased. The activities of CAT and GST in Shanhongmai did not show significant difference compared with those in Wenmai 6. Results suggested that POD activity may be positively associated with wheat defense to R. cerealis.

关键词： wheat Rhizoctonia cerealis antioxidant-related enzymes peroxidase

刘红霞运用外治疗法治疗顽固性皮肤病临证经验

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中华中医药杂志 2017年第2期32卷 622-624页

作者：张成会刘朝霞刘红霞新疆维吾尔自治区中医医院乌鲁木齐830000

刘红霞教授从医30余载,临证中将中医的整体观念及辨证论治之精髓与西北地区的地域特点和体质特征、发病规律等因素相结合,提出了"脾虚湿盛"的银屑病证型和首倡非药物疗法中医外治辨证思想两大学术特点,尤其是在中医外治技法的辨证运用... 详细信息

刘红霞教授从医30余载,临证中将中医的整体观念及辨证论治之精髓与西北地区的地域特点和体质特征、发病规律等因素相结合,提出了"脾虚湿盛"的银屑病证型和首倡非药物疗法中医外治辨证思想两大学术特点,尤其是在中医外治技法的辨证运用中造诣颇深,临床上效如桴鼓,且简便廉验,安全性高,深受基层医务工作者的喜爱,值得推广应用。

关键词：刘红霞外治疗法顽固性皮肤病临床经验

QSPR Studies on lgK_(ow) and lgK_(oc) of Fluorobenzenes and Property Parameters Based on HF and DFT Calculations

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Chinese Journal of Structural Chemistry 2006年第7期25卷 823-829页

作者： ZHANG Xing-Chuan YU Jing WANG Zun-Yao liu hong-xia College of Biological and Chemical Engineering Jiaxing University Zhejiang 314001 China Department of Material and Chemical Engineering Guilin Institute of Technology Guilin Guangxi 541004 China

Quantum chemistry parameters of 22 fluorobenzenes were computed at six levels using Hartree-Fock and DFT methods. Based on the experimental data of n-octanol/water partition coefficient （lgKow）, a three-parameter （dipole moments （μ）, zero point energy （ZPE） and free energy （G°）） quantitative correlation equation that can predict IgKow was developed using structural and thermodynamic parameters as theoretical descriptors. Similarly, based on experimental data of soil organic carbon sorption coefficient （lgKoc）, the other three-parameter （the most negative atomic net charge of molecule （q^-）, dipole moments （μ） and molecular volume （Vi）） quantitative correlation equation that can predict lgKoc was given. Quantitative correlation equations based on B3LYP/6- 311 G^＊＊ calculation were validated by VIF （variance inflation factors） and t-test and used to predict IgKow and lgKoc of a series of compounds. The result showed that the correlation and prediction ability of lgKoc equations based on three levels of HF/STO-3G, B3LYP/6-31 G^＊ and B3LYP/6- 311G^＊＊ are all more advantageous than those based on AMI.

关键词： fluorobenzene linear solvation energy theory Hartree-Fock density functional theory QSPR n-octanol/water partition coefficient (lgKow) soil organic carbon sorption coefficient (lgKoc)

AlGaN/GaN Ultraviolet Detector with Dual Band Response

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Chinese Physics Letters 2011年第5期28卷 253-255页

作者： GAO Bo liu hong-xia WANG Shu-Long School of Microelectronics Key Laboratory of Wide Band-Gap Semiconductor Materials and DevicesXidian UniversityXi’an 710071

The AlGaN/GaN ultraviolet detector with dual band response is investigated by a self-consistent solution of the Poisson-Schr(o)dinger *** of the polarization effect,the AlGaN/GaN UV detector with dual band response can be realized by varying the external *** a low external voltage,the detector is mainly sensitive to the short *** the increasing external voltage is larger than the critical voltage,the detector has an obvious dual band response characteristic and the critical voltage is *** characteristic makes nitride-based UV detector a larger potential application to develop multi band response by adjusting the Aluminum mole fraction in the AlGaN layer or even by using the AlGaN/GaN/InGaN heterostructure.

关键词： AlGaN/GaN polarization AlGaN

Estimation of n-Octanol/water Partition Coeffi-cients(lgK_(ow)) and the Aqueous Solubility(-lg_(Sw)) of all PCDF Congeners by Density Functional Theory

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Chinese Journal of Structural Chemistry 2006年第9期25卷 1134-1140页

作者： YANG Guo-Ying YU Jing WANG Zun-Yao liu hong-xia School of Biological and Chemical Engineering Jiaxing University Jiaxing Zhejiang 314001 China Department of Material and Chemical Engineering Guilin Institute of Technology Guilin Guangxi 541004 China School of the Environment Naniing University Nanjing Jiangsu 210093 China

Optimized calculation of dibenzofuran （DF） and 135 polychlorinated dibenzofurans （PCDFs） was carried out at the B3LYP/6-31G＊ level in GAUSSIAN 98 program. Based on the theoretical linear solvation energy relationship （TLSER） model, the obtained structural parameters were taken as theoretical descriptors to establish the novel quantitative structureproperty relationship （QSPR） model for predicting n-octanol/water partition coefficients （lgKow） of PCDFs. The new model of lgKow achieved in this work contains three variables： energy of the highest occupied molecular orbital （EHOMO）, the most negative atomic partial charge （q^-） and average molecular polarizability （a）, of which R^2= 0.9011 and SD = 0,17 with larger t values. In addition, the variation inflation factors （VIF） of variables in the present model are all less than 5.5, suggesting high accuracy of the lgKow model. And the results of cross-validation test （q^2 = 0.8688） and method validation also show this model exhibits optimum stability and better predictive power than semi-empirical method. At the same time, it is found that the aqueous solubility （-lgSw） has high relative correlation with constant volume molar heat capacity （Cv^0）, of which R^2 = 0.9777 and SD = 0.22. Moreover, lgKow and -lgSw values of all PCDF congeners were predicted respectively.

关键词： polychlorinated dibenzofurans (PCDFs) n-octanol/water partition coefficients (lgKow) aqueous solubility (-lgSw) quantitative structureproperty relationship (QSPR) density functional theory (DFT)

Determination of the Toxicities of 16 Halogenated Benzenes to Photobacterium Phosphoreum and 2D- and 3D-QSAR Studies

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Chinese Journal of Structural Chemistry 2010年第7期29卷 1007-1014页

作者： CAO Si-Tong WANG Xiu liu hong-xia YANG Guo-Ying WANG Zun-Yao Garment andArt Design College Jiaxing University Jiaxing Zhefiang 314001 China Biological and Chemical Engineering College Jiaxing Zhejiang 314001 China

In this paper we take photobacterium phosphoreum （T3） as the experimental bacteria, and determine the half-inhibitory concentration （-1gEC50） against the photobacterium phosphoreum of 16 halogenated benzenes. Using B3LYP method of DFT in the Gaussian 03 program, we obtain the structural and thermodynamic descriptors of 16 halogenated benzenes by fully-optimized calculation at the 6-311G＊＊ level. Taking the structural and thermodynamic descriptors as theoretical descriptors, the 2D QSAR model （R2 = 0.983） was established, which can be utilized to predict -lgEC50 of halogenated benzene according to the corrected linear solvation energy theory based on the experimental data of-lgECs0. In addition, the relationship between the toxicity and 3D spatial structure of the compound is studied by comparing the molecular similarity index analysis （CoMSIA） of 3D-QSAR method. By cross validation, the correlation coefficient q2 of CoMSIA model is 0.687, and the conventional correlation coefficient R2 = 0.958. The model is stable and reliable with great predictive ability. The 3D-QSAR model shows that the toxicity of halogenated benzene compound is mainly affected by the characteristics of hydrophobie field of the substituted halogens.

关键词： halogenated benzene toxicity (-lgEC50) DFT QSAR

TaABI19 positively regulates grain development in wheat

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Journal of Integrative Agriculture 2023年第1期22卷 41-51页

作者： liu Yun-chuan WANG xiao-lu HAO Chen-yang IRSHAD Ahsan LI Tian liu hong-xia HOU Jian ZHANG Xue-yong National Key Facility for Crop Gene Resources and Genetic Improvement Key Laboratory of Biology and Genetic Improvement of Triticeae CropsMinistry of Agriculture/Institute of Crop SciencesChinese Academy of Agricultural SciencesBeijing 100081P.R.China State Key Laboratory of Plant Physiology and Biochemistry College of Biological SciencesChina Agricultural UniversityBeijing 100193P.R.China Institute of Cotton Research Chinese Academy of Agricultural SciencesAnyang 455000P.R.China National Key Facility for Crop Gene Resources and Genetic Improvement/National Center of Space Mutagenesis for Crop Improvement Institute of Crop SciencesChinese Academy of Agricultural SciencesBeijing 100081P.R.China

Starch is the most important component in the endosperm, and its synthesis is regulated by multiple transcription factors(TFs) in cereals. However, whether the functions of these TFs are conserved among cereals remains unclear. In this study,we cloned a B3 family TF in wheat, named TaABI19, based on its orthologous sequence in maize(Zea mays L.). Alignment of the DNA and protein sequences showed that ABI19 is conserved in maize and wheat(Triticum aestivum L.). We found that TaABI19 is highly expressed in young spikes and developing grains, and encodes a nucleus-localized transcriptional activator in wheat. The taabi19-b1 null mutants obtained by EMS exhibited a down-regulation of starch synthesis, shorter grain length and lower thousand-grain weight(TGW). Furthermore, we proved that TaABI19 could bind to the promoters of TaPBF homologous genes and enhance their expression. Haplotype association showed that TaABI19-B1 is significantly associated with TGW. We found that Hap2 and Hap3 were favored and had undergone positive selection in China’s wheat breeding programs. Less than 50% of the modern cultivars convey the favored haplotypes, indicating that TaABI19 still can be considered as a target locus for marker-assisted selection breeding to increase TGW in China.

关键词： common wheat transcription factor haplotype thousand grain weight