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Bond Order Analysis, Packing Ratio, and Electronic Structures of Two Structural Polymorphs Based on Manganese Complexes

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Chinese Journal of Chemistry 2017年第6期35卷 927-930页

作者： Xue-Li Chen Yuexing zhang ming-yuan zhang ming-Hua Zeng Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Ministry-of-Education Key Laboratory fi〉r the Synthesis and Applieation of Organic Functional Molecules School of Chemistry and Chemical Engineering Hubei University Wuhan Hubei 430062 China Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources Guangxi Normal University Guilin Guangxi 541004 China

The bond order and packing ratios in the single-crystal of the two structural polymorphs as well as the detailed electronic structures of the molecular model were studied using density functional theory. The strength of different Mn coordination bonds was analyzed in detail through Mayer bond order. Besides bond length, many other factors such as the orientation of ligand and nature of metal also significantly influence the bond order. Packing ratios cal- culated using cluster model reveals that packing along b direction in Dimer is more favorable than other directions due to the associated interactions of π-π and CI…H when packing in this direction. Electronic structure helps ex- plain the formation of Dimer from monomer or direct forming of Chain from ligand/Cl and metal. This would shed light on further understanding the importance of supramolecular interaction on crystal engineering.

关键词： structural polymorphs manganese bond order cluster model density functional theory

A New Stilbene from Cercis chinensis Bunge

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Journal of Integrative Plant Biology 2005年第8期47卷 1021-1024页

作者： yuan LI Dong-ming zhang Shi-Shan YU Institute of Materia Medica Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 China

To study new natural products, we used ODS （YMC, Kyoto, Japan） and silica gel column chromatography to separate compounds in Cercis chinensis Bunge （Leguminosae）. A new stilbene, trans- 3, 5, 3＇, 4＇-tetrahydroxy-4-methylstilbene （1）, along with 10 known compounds, namely piceatannol （2）, dihydromyricetin （3）, catechin （4）, dihydrorobinetin （5）, menisdaurin （6）, lithospermoside （7）, teatannin （8）, dasycarponin （9）, β-sitosterol （10）, and daucosterin （11）, was isolated from C. chinensis. Their structures were elucidated on the basis of spectroscopic evidence. Compounds 2-6 and 9 were isolated from the genus Cercis Linn. for the first time.

关键词： Cercis chinensis Leguminosae trans-3, 5, 3', 4'-tetrahydroxy-4-methylstilbene.

ⅢVmrMLM:The R and C++tools associated with 3VmrMLM,a comprehensive GWAS method for dissecting quantitative traits

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Molecular Plant 2022年第8期15卷 1251-1253页

作者： Mei Li Ya-Wen zhang Yu Xiang ming-Hui Liu yuan-ming zhang College of Plant Science and Technology Huazhong Agricultural UniversityWuhan 430070China

Inmost existingmethods and softwares of genome-wide association studies(GWAS)fordetecting quantitative trait nucleotides(QTNs),QTN-by-environment interactions(QEls),and QTN-by-QTN interactions(QQIs),only the allele substitution effect and its interaction-related effects are detected and estimated,conditional on method-specific polygenic background control,leading to confounding in effect estimation and insufficient polygenic background control(Li et al.,2022;Supplemental Tables 1-3).

关键词： founding GWAS method

Catalytic Film and Selective Oxidation of Iso-butylene

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Chinese Chemical Letters 2001年第2期12卷 129-132页

作者： Xuan MAO yuan Qi YIN yuan ming zhang Shao Hong PENG Bang Ke ZHONG State Key Laboratory of Oxo Synthesis and Selective Oxidation Lanzhou Institute of Chemical PhysicsThe Chinese Academy of SciencesLanzhou 730000 Department of Chemistry Jinan UniversityGuangzhou 510632

A kind of heteropoly compound film supported on Ce0.5Zr0.5O2 oxide was prepared on a porous titanium tube. The catalytic activity of the film for the selective oxidation of iso-butylene was tested and compared with the fixed-bed reactor. Results show that the catalytic film increases the yield of the target product-methacrylic acid, and avoids the temperature fluctuation caused by the reaction heat.

关键词： Catalysis heteropoly acid inorganic membrane iso-butylene selective oxidation

Mixed neuroendocrine carcinoma of the gastric stump: A case report

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World Journal of Clinical Cases 2021年第27期9卷 8090-8096页

作者： Hui Zhu ming-yuan zhang Wei-Liang Sun Gun Chen Gastrointestinal Surgery Department The Affiliated People's Hospital of Ningbo UniversityNingbo 315000Zhejiang ProvinceChina Pathologic Department The Affiliated People's Hospital of Ningbo UniversityNingbo 315000Zhejiang ProvinceChina

BACKGROUND Gastric stump cancer,also known as gastric remnant cancer(GRC),is one of the main complications of postgastrectomy syndrome,which usually occurs following Billroth II *** predominant histological subtype of GRC is adenocarcinoma,whereas neuroendocrine carcinoma is relatively *** particular,there are few recently reported cases of mixed neuroendocrine carcinoma(MNEC)in the English ***,we present an extremely rare case of MNEC of the gastric *** SUMMARY A 59-year-old patient presented to our department owing to chronic *** had undergone subtotal gastric resection 35 years prior to admission because of benign peptic *** admission,the patient underwent several tests,and gastroendoscopy showed evidence of Billroth II gastrectomy and local thickening of the gastric stump mucosa at the gastrojejunostomy site,with bile reflux;pathological biopsy revealed *** was then diagnosed with GRC and underwent total gastrectomy,D2 Lymphadenectomy,and esophagojejunal Roux-en-Y *** examination of the specimen identified MNEC comprising MNEC(60%),adenocarcinoma(30%),and squamous cell carcinoma(10%).Postoperative adjuvant chemotherapy was initiated on September 17,*** plus cisplatin was administered for only one cycle because of severe liver function damage,and the regimen was changed to etoposide plus cisplatin on October 10,2020 for five *** patient recovered,with no recurrence after 6 mo of *** Gastric MNECs(GMNECs)is a rare type of *** study presented the unusual occurrence of GMNEC in the gastric *** case will contribute to improvements in our understanding of the carcinogenesis,biology,pathology,and behavior of GMNEC and GRC.

关键词： Gastric remnant cancer Gastric mixed neuroendocrine carcinoma Surgery Gastric stump Billroth II Case report

mrMLM v4.0.2: An R Platform for Multi-locus Genome-wide Association Studies

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Genomics, Proteomics & Bioinformatics 2020年第4期18卷 481-487页

作者： Ya-Wen zhang Cox Lwaka Tamba Yang-Jun Wen Pei Li Wen-Long Ren yuan-Li Ni Jun Gao yuan-ming zhang Crop Information Center College of Plant Science and TechnologyHuazhong Agricultural UniversityWuhan 430070China Department of Mathematics Egerton UniversityEgerton 536-20115Kenya State Key Laboratory of Crop Genetics and Germplasm Enhancement Nanjing Agricultural UniversityNanjing 210095China Department of Epidemiology and Medical Statistics School of Public HealthNantong UniversityNantong 226019China College of Informatics Huazhong Agricultural UniversityWuhan 430070China

Previous studies have reported that some important loci are missed in single-locus genome-wide association studies(GWAS),especially because of the large phenotypic error in field *** solve this issue,multi-locus GWAS methods have been ***,only a few software packages for multi-locus GWAS are ***,we developed an R software named mr MLM *** software integrates mr MLM,FASTmr MLM,FASTmr EMMA,p LARm EB,p KWm EB,and ISIS EM-BLASSO methods developed by our *** are four components in mr MLM v4.0.2,including dataset input,parameter setting,software running,and result *** fread function in *** is used to quickly read datasets,especially big datasets,and the do Parallel package is used to conduct parallel computation using multiple *** addition,the graphical user interface software mr *** v4.0.2,built upon Shiny,is also *** confirm the correctness of the aforementioned programs,all the methods in mr MLM v4.0.2 and three widely-used methods were used to analyze real and simulated *** results confirm the superior performance of mr MLM v4.0.2 to other methods currently *** positive rates are effectively controlled,albeit with a less stringent significance *** MLM v4.0.2 is publicly available at Bio Code(https://***/biocode/tools/BT007077)or R(https://***/web/packages/mr ***/***)as an open-source software.

关键词： Genome-wide association study Linear mixed model mrMLM Multi-locus genetic model R

A compressed variance component mixed model for detecting QTNs and QTN-by-environment and QTN-by-QTN interactions in genome-wide association studies

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Molecular Plant 2022年第4期15卷 630-650页

作者： Mei Li Ya-Wen zhang Ze-Chang zhang Yu Xiang ming-Hui Liu Ya-Hui Zhou Jian-Fang Zuo Han-Qing zhang Ying Chen yuan-ming zhang Crop Information Center College of Plant Science and TechnologyHuazhong Agricultural UniversityWuhan 430070China State Key Laboratory of Cotton Biology Anyang 455000China

Although genome-wide association studies are widely used to mine genes for quantitative traits,the effects to be estimated are confounded,and the methodologies for detecting interactions are *** address these issues,the mixed model proposed here first estimates the genotypic effects for AA,Aa,and aa,and the genotypic polygenic background replaces additive and dominance polygenic ***,the estimated genotypic effects are partitioned into additive and dominance effects using a one-way analysis of variance *** strategy was further expanded to cover QTN-by-environment interactions(QEIs)and QTN-by-QTN interactions(QQIs)using the same mixed-model ***,a three-variance-component mixed model was integrated with our multi-locus random-SNP-effect mixed linear model(mrMLM)method to establish a new methodological framework,3VmrMLM,that detects all types of loci and estimates their *** Monte Carlo studies,3VmrMLM correctly detected all types of loci and almost unbiasedly estimated their effects,with high powers and accuracies and a low false positive *** re-analyses of 10 traits in 1439 rice hybrids,detection of 269 known genes,45 known gene-by-environment interactions,and 20 known gene-by-gene interactions strongly validated *** analyses of known genes showed more small(67.49%),minor-allele-frequency(35.52%),and pleiotropic(30.54%)genes,with higher repeatability across datasets(54.36%)and more dominance *** addition,a heteroscedasticity mixed model in multiple environments and dimension reduction methods in quite a number of environments were developed to detect QEIs,and variable selection under a polygenic background was proposed for QQI *** study provides a new approach for revealing the genetic architecture of quantitative traits.

关键词： genome-wide association study QTN QTN-by-environment interaction QTN-by-QTN interaction compressed variance component mixed model rice

Global Spherically Symmetric Solutions for a Coupled Compressible Navier–Stokes/Allen–Cahn System

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Acta Mathematica Sinica,English Series 2024年第8期40卷 2037-2064页

作者： Chang ming SONG Jian Lin zhang yuan yuan WANG Department of Applied Mathematics School of Mathematics and Information ScienceZhongyuan University of TechnologyZhengzhou 450007P.R.China

In this paper,we consider the global spherically symmetric solutions for the initial boundary value problem of a coupled compressible Navier–Stokes/Allen–Cahn system which describes the motion of two-phase viscous compressible *** prove the existence and uniqueness of global classical solution,weak solution and strong solution under the assumption of spherically symmetry condition for initial dataρ0 without vacuum state.

关键词： Diffuse interface model global solutions Navier-Stokes equations Allen-Cahn equation spherically symmetry

Isolated elevated aspartate aminotransferase in an asymptomatic woman due to macro-aspartate aminotransferase: A case report

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World Journal of Clinical Cases 2019年第24期7卷 4414-4419页

作者： Meng-Ru Zhan Xu Liu ming-yuan zhang Jun-Qi Niu Department of Hepatology The First Hospital of Jilin University

BACKGROUND Macro-aspartate aminotransferase(AST), a macroenzyme, is a high-molecular mass complex formed by self-polymerization or association with other serum components that are difficult for the kidney to clear, leading to the isolated elevation of serum AST activity. Cases of macro-AST formation are rare, with only 3 published in the English language literature up to September 2019 in China. In this paper, we present a case in which an asymptomatic woman with persistent isolated elevated AST was confirmed as having macro-AST by the polyethylene glycol precipitation *** SUMMARY A 34-year-old woman was referred to our clinic for elevated AST levels with normal levels of other liver-associated enzymes on November 12, 2018. Her AST level of liver function test had been abnormal for 7 mo before she came to the clinic. The patient was asymptomatic with a normal physical examination. There was no relevant family history and no alcohol consumption or smoking. She had a several-month history of traditional Chinese medical taking and had stopped it 1 year prior. The laboratory tests in our clinic showed only the elevation of AST(89.5 U/L) with no other significant abnormalities. We performed the precipitation technique with polyethylene glycol to confirm the presence of macro-AST. Then for almost a year, her AST level still fluctuated in the abnormal *** This case highlights that clinical physicians should be familiar with this rare condition of persistent isolated AST elevation due to the presence of macro-AST to avoid unnecessary investigation and patient anxiety.

关键词： Aspartate aminotransferase Macroenzymes Macro-aspartate aminotransferase Polyethylene glycol precipitation method China Case report