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Genome mining of sulfonated lanthipeptides reveals unique cyclic peptide sulfotransferases

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2773-2785页

作者： Meng Wang Wen-Wei Li Zhe Cao Jianong Sun Jiang Xiong Si-Qin Tao Tinghong Lv Kun Gao Shangwen Luo shi-hui dong State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000China

Although sulfonation plays crucial roles in various biological processes and is frequently utilized in medicinal chemistry to improve water solubility and chemical diversity of drug leads,it is rare and underexplored in ribosomally synthesized and post-translationally modified peptides(RiPPs).Biosynthesis of RiPPs typically entails modification of hydrophilic residues,which substantially increases their chemical stability and bioactivity,albeit at the expense of reducing water *** explore sulfonated RiPPs that may have improved solubility,we conducted co-occurrence analysis of RiPP class-defining enzymes and sulfotransferase(ST),and discovered two distinctive biosynthetic gene clusters(BGCs)encoding both lanthipeptide synthetase(LanM)and *** expressing these BGCs,we characterized the structures of novel sulfonated lanthipeptides and determined the catalytic details of LanM and *** demonstrate that SslST-catalyzed sulfonation is leader-independent but relies on the presence of A ring formed by *** LanM and ST are promiscuous towards residues in the A ring,but ST displays strict regioselectivity toward *** recognition of cyclic peptide by ST was further *** evaluation underscores the significance of the ST-catalyzed *** study sets up the starting point to engineering the novel lanthipeptide STs as biocatalysts for hydrophobic lanthipeptides improvement.

关键词： Lanthipeptides Sulfotransferases Sulfonation Biosynthesis Genome mining

Cytochalasins from Xylaria sp. CFL5, an Endophytic Fungus of Cephalotaxus fortunei

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Natural Products and Bioprospecting 2021年第1期11卷 87-98页

作者： Kai-Liang Ma shi-hui dong Hang-Ying Li Wen-Jun Wei Yong-Qiang Tu Kun Gao State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000People’s Republic of China

Three previously undescribed cytochalasins,named xylariasins A‒C(1‒3),together with six known ones(4‒9)were iso-lated from Xylaria ***5,an endophytic fungus of Cephalotaxus *** chemical structures of all new compounds were elucidated on the basis of extensive spectroscopic data analyses and electronic circular dichroism calculation,as well as optical rotation *** activities of compounds 1,4‒9 were evaluated,including cytotoxic,LAG3/MHC II binding inhibition and LAG3/FGL1 binding inhibition *** 6 and 9 possessed cytotoxicity against AGS cells at 5μM,with inhibition rates of 94%and 64%,*** addition,all tested isolates,except compound 6,exhibited obvious inhibitory activity against the interaction of both LAG3/MHC II and LAG3/*** 1,5,7,and 8 inhibited LAG3/MHC II with IC50 values ranging from 2.37 to 4.74μ***,the IC50 values of compounds 1,7,and 8 against LAG3/FGL1 were 11.78,4.39,and 7.45μM,respectively.

关键词： Cytochalasin Xylaria sp. Cephalotaxus fortunei LAG3/MHC II binding inhibition LAG3/FGL1 binding inhibition

Interaction of CO and O2 with Supported Pt Single-Atoms on TiO2(110)

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Chinese Journal of Chemical Physics 2020年第3期33卷 349-356,I0003页

作者： shi-hui dong Ao-lei Wang Jin Zhao shi-jing Tan Bing Wang Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information&Quantum Physics University of Science and Technology of ChinaHefei 230026China

In view of the high activity of Pt single atoms in the low-temperature oxidation of CO,we investigate the adsorption behavior of Pt single atoms on reduced rutile TiO2(110)surface and their interaction with CO and O2 molecules using scanning tunneling microscopy and density function theory *** single atoms were prepared on the TiO2(110)surface at 80 K,showing their preferred adsorption sites at the oxygen *** characterized the adsorption configurations of CO and O2 molecules separately to the TiO2-supported Pt single atom samples at 80 *** is found that the Pt single atoms tend to capture one CO to form Pt-CO complexes,with the CO molecule bonding to the fivefold coordinated Ti(Ti5 c)atom at the next nearest neighbor *** annealing the sample from 80 K to 100 K,CO molecules may diffuse,forming another type of complexes,Pt-(CO)*** O2 adsorption,each Pt single atom may also capture one O2 molecule,forming Pt-O2 complexes with O2 molecule bonding to either the nearest or the next nearest neighboring Ti5c *** study provides the single-molecule-level knowledge of the interaction of CO and O2 with Pt single atoms,which represent the important initial states of the reaction between CO and O2.

关键词： Rutile TiO2 Single atom catalysis CO oxidation Scanning tunneling microscope

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离群数据挖掘方法在电力负荷预测中的应用

计算机工程与应用 2010年第21期46卷 213-215页

作者：史东辉安徽建筑工业学院电子与信息工程学院合肥230088

根据负荷预测的理论,通过历史数据为基础进行电力负荷数据预测。由于实际运行过程中,采集数据存在错误,使得获得到的负荷预测曲线包含较大的锯齿状。提出一种新的离群数据挖掘方法,即求二直线的夹角方法寻找尖锐点,离群数据为尖锐点处... 详细信息

根据负荷预测的理论,通过历史数据为基础进行电力负荷数据预测。由于实际运行过程中,采集数据存在错误,使得获得到的负荷预测曲线包含较大的锯齿状。提出一种新的离群数据挖掘方法,即求二直线的夹角方法寻找尖锐点,离群数据为尖锐点处对应电力负荷有功值,然后使用曲线平滑的方法对这些离群数据进行了处理。实验证明,运用提出的这一新的离群数据挖掘方法处理负荷预测曲线,预测结果明显改进。

关键词：离群数据负荷预测直线夹角平滑

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商品房网上备案合同录入模板的设计与实现

计算机工程与应用 2009年第15期45卷 75-77页

作者：史东辉安徽建筑工业学院电子与信息工程学院合肥230088

房地产网上备案系统需要用户录入大量的交易、房屋信息等,其中很多信息是重复的。采用***设计和开发了一个模板程序,可以将某个典型业务数据保存为模板,在下次办理业务时选择调用此模板数据。该系统的使用大大提高了工作效率。

关键词：房地产网上备案模板 ***

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使用统计变异指标研究离群数据挖掘方法

计算机工程与应用 2009年第17期45卷 125-128页

作者：史东辉安徽建筑工业学院电子与信息工程学院合肥230088

对统计数据的散度情况,即数据变异指标,进行了说明,变异指标可以使我们对数据的总体特征有更进一步的了解,进而对数据的分布情况有所了解,变异指标对发现数据中的离群数据有一定的作用。作者使用变异指标对基于偏差的离群数据的发现方... 详细信息

对统计数据的散度情况,即数据变异指标,进行了说明,变异指标可以使我们对数据的总体特征有更进一步的了解,进而对数据的分布情况有所了解,变异指标对发现数据中的离群数据有一定的作用。作者使用变异指标对基于偏差的离群数据的发现方法进行改进,改进后的算法适合于多维数值数据。

关键词：统计变异离群数据偏差数据

THE SYNTHESIS AND CHARACTERIZATION OF ASYMMETRIC TRIPYRRANE-CONTAINING MACROCYCLES

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Chinese Chemical Letters 1992年第1期3卷 19-22页

作者： shi Ming dong hui Zhu HE Lin Zhi HU Jian Min RON Duo Yuan WANG Jnstitute of Photogrsphic Chemistry,Academia Sinica,Beijing 100101

An improved procedure was used to prepare the asymmetric tripyrrane-containing macrocycles, The yield was over 85% These maerocycles could be oxidized to the methine bridled 23 (?)-electron aromatic cadmium(Ⅱ)complex... 详细信息

关键词： CB IR Br Cl der UV THE SYNTHESIS AND CHARACTERIZATION OF ASYMMETRIC TRIPYRRANE-CONTAINING MACROCYCLES