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Towards a hybrid model-driven platform based on flux balance analysis and a machine learning pipeline for biosystem design

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Synthetic and Systems Biotechnology 2024年第1期9卷 33-42页

作者： Debiao Wu Feng Xu Yaying Xu mingzhi huang Zhimin Li Ju Chu State Key Laboratory of Bioreactor Engineering East China University of Science and Technology130 Meilong RoadShanghai200237People’s Republic of China

Metabolic modeling and machine learning(ML)are crucial components of the evolving next-generation tools in systems and synthetic biology,aiming to unravel the intricate relationship between genotype,phenotype,and the ***,the comprehensive exploration of integrating these two frameworks,and fully harnessing the potential of fluxomic data,remains an unexplored *** this study,we present,rigorously evaluate,and compare ML-based techniques for data *** hybrid model revealed that the overexpression of six target genes and the knockout of seven target genes contribute to enhanced ethanol ***,we investigated the influence of succinate dehydrogenase(SDH)on ethanol biosynthesis in Saccharomyces cerevisiae through shake flask *** findings indicate a noticeable increase in ethanol yield,ranging from 6%to 10%,in SDH subunit gene knockout strains compared to the wild-type ***,in pursuit of a high-yielding strain for ethanol production,dual-gene deletion experiments were conducted targeting glycerol-3-phosphate dehydrogenase(GPD)and *** results unequivocally demonstrate significant enhancements in ethanol production for the engineered strains Δsdh4Δgpd1,Δsdh5Δgpd1,Δsdh6Δgpd1,Δsdh4Δgpd2,Δsdh5Δgpd2,and Δsdh6Δgpd2,with improvements of 21.6%,27.9%,and 22.7%,***,the results highlighted that integrating mechanistic flux features substantially improves the prediction of gene knockout strains not accounted for in metabolic *** addition,the finding in this study delivers valuable tools for comprehending and manipulating intricate phenotypes,thereby enhancing prediction accuracy and facilitating deeper insights into mechanistic aspects within the field of synthetic biology.

关键词： Metabolic modeling Machine learning Flux balance analysis Biosystems design Saccharomyces cerevisiae Succinate dehydrogenase

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Online soft measurement for wastewater treatment system based on hybrid deep learning

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Frontiers of Environmental Science & Engineering 2024年第2期18卷 77-89页

作者： Wenjie Mai Zhenguo Chen Xiaoyong Li Xiaohui Yi Yingzhong Zhao Xinzhong He Xiang Xu mingzhi huang SCNU Environmental Research Institute Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety&MOE Key Laboratory of Theoretical Chemistry of EnvironmentSchool of EnvironmentSouth China Normal UniversityGuangzhou 510006China Fujian Environmental Protection Design Institute Co.Ltd. Fuzhou 350000China Huashi(Fujian)Environment Technology Co.Ltd. Quanzhou362001China SCNU Qingyuan Institute of Science and Technology Innovation Co.Ltd. Qingyuan 511517China Econ Technology Co.Ltd. Yantai 265503China

The existing automated wastewater treatment control systems encounter challenges such as the utilization of specialized testing instruments, equipment repair complications, high operational costs, substantial operational errors, and low detection accuracy. An effective soft measure model offers a viable approach for real-time monitoring and the development of automated control in the wastewater treatment process. Consequently, a novel hybrid deep learning CNN-BNLSTM-Attention (CBNLSMA) model, which incorporates convolutional neural networks (CNN), bidirectional nested long and short-term memory neural networks (BNLSTM), attention mechanisms (AM), and Tree-structure Parzen Estimators (TPE), has been developed for monitoring effluent water quality during the wastewater treatment process. The CBNLSMA model is divided into four stages: the CNN module for feature extraction and data filtering to expedite operations;the BNLSTM module for temporal data’s temporal information extraction;the AM module for model weight reassignment;and the TPE optimization algorithm for the CBNLSMA model’s hyperparameter search optimization. In comparison with other models (TPE-CNN-BNLSTM, TPE-BNLSTM-AM, TPE-CNN-AM, PSO-CBNLSTMA), the CBNLSMA model reduced the RMSE for effluent COD prediction by 25.4%, decreased the MAPE by 32.9%, and enhanced the R2 by 14.9%. For the effluent SS prediction, the CBNLSMA model reduced the RMSE by 26.4%, the MAPE by 21.0%, and improved the R2 by 35.7% compared to other models. The simulation results demonstrate that the proposed CBNLSMA model holds significant potential for real-time effluent quality monitoring, indicating its high potential for automated control in wastewater treatment processes.

关键词： Prediction model Soft measurement CNN-BNLSTM-AM model TPE optimization algorithm

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Synthesis and Herbicidal Activity of Novel N-Allyloxy/Propargyloxy Aryloxyphenoxy Propionamide Derivatives

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Chemical Research in Chinese Universities 2016年第2期32卷 188-194页

作者： LIU Qixing huang mingzhi LIU Aiping HU Aixi LEI Manxiang REN Yeguo huang Lu College of Biological and Pharmaceutical Sciences China Three Gorges University Yichang 443002 P. R. China National Engineering Research Center for Agrochemicals Hunan Research Institute of Chemical Industry Changsha 410007 P. R. China College of Chemistry and Chemical Engineering Hunan University Changsha 410082 P. R. China

A series of novel N-allyloxy/propargyloxy aryloxyphenoxy propionamide compounds was designed and prepared. The structures of the synthesized compounds were confirmed by means of 1H NMR, 13C NMR, LC-MS, elemental analysis and IR. The bioassay results indicate that when against Digitaria sanguinalis and Echinochloa crus-galli, （R）-N-（propargyloxy）-2-{4-[（6-chloroquinoxalin-2-yl） oxy] phenoxy}propanamide（1m）（IC50=6.8 and 6.5 g/hm2, respectively） and （R）-N-（allyloxy）-2-{4-[（6-chloroquinoxalin-2-yl） oxy]phenoxy}propanamide（1r）（IC50=7.4 and 6.0 g/hm2, respectively） are much more effective than commercial aryloxyphenoxypropionic ester herbicide clodinafop-propargyl（IC50=46.5 and 14.6 g/hm2, respectively）. The results of crop selectivity show that compounds 1m and 1r are safe to soybean, rape and cotton and can be used as herbicides for soybean, rape and cotton crop.

关键词： Aryloxyphenoxy propionamide Allyloxy Propargyloxy Herbicidal activity Crop selectivity

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成骨分化中的铁死亡在骨质疏松发病机制中的研究

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中国骨质疏松杂志 2024年第2期30卷 305-312页

作者：刘祥辉彭国璇彭洪成林圆曾令云雷安毅黄明智贵州医科大学贵州贵阳550025 贵州医科大学附属医院贵州贵阳550004

骨质疏松症(osteoporosis,OP)是一种主要以骨强度下降和骨折风险增加为特征的骨骼退行性疾病,已成为我国50岁以上人群的重要健康问题。铁死亡是以铁离子依赖为特征,并伴有脂质过氧化物积累的一种调节性细胞死亡方式。目前,随着对骨质疏... 详细信息

骨质疏松症(osteoporosis,OP)是一种主要以骨强度下降和骨折风险增加为特征的骨骼退行性疾病,已成为我国50岁以上人群的重要健康问题。铁死亡是以铁离子依赖为特征,并伴有脂质过氧化物积累的一种调节性细胞死亡方式。目前,随着对骨质疏松发病机制的深入研究,抑制成骨分化中的铁死亡被发现是治疗骨质疏松症的一个重要靶点。因此,该文旨在对国内外关于骨质疏松症发病机制中成骨分化中铁死亡的最新研究进行综述,以期为骨质疏松症的治疗提供新的思路和见解。

关键词：骨质疏松成骨细胞铁死亡铁过载脂质过氧化

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松辽盆地大情字井区青山口组二段风暴沉积及意义

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天然气地球科学 2024年第3期35卷 423-434页

作者：张治恒黄铭志王志章张运杰刘红超曲康安金彪马莎莎李坤翰中国石油大学(北京)地球科学学院北京102249 中国石油大学(北京)油气资源与探测国家重点实验室北京102249 中国石油吉林油田公司勘探开发研究院吉林松原138000 新疆油田公司采油一厂新疆克拉玛依834000

松辽盆地大情字井区青山口组二段(青二段)钻井揭示其砂体分布规律极为复杂,随着勘探程度的不断深入,早期“深湖型”三角洲沉积、浅水三角洲沉积等地质认识与生产实践之间的系列矛盾问题日益突出。为解决上述问题,围绕大情字井区开展了... 详细信息

松辽盆地大情字井区青山口组二段(青二段)钻井揭示其砂体分布规律极为复杂,随着勘探程度的不断深入,早期“深湖型”三角洲沉积、浅水三角洲沉积等地质认识与生产实践之间的系列矛盾问题日益突出。为解决上述问题,围绕大情字井区开展了系统岩心观察和岩心数据分析。岩心观察显示青二段存在大量指示风暴沉积特征的风暴岩,岩性和粒度分析揭示研究区沉积具牵引流和重力流双重属性,表明青二段除发育三角洲沉积之外,同时还发育风暴沉积。经分析认为,研究区发育的风暴岩根据垂向沉积序列可划分为Ⅰ、Ⅱ、Ⅲ、Ⅳ、Ⅴ共5种类型,又根据不同类型风暴岩的沉积过程和搬运距离,近一步在平面上划分为原地风暴岩、近源风暴岩和远源风暴岩3类,其中原地风暴岩以Ⅰ型为主,Ⅱ型、Ⅲ型、Ⅳ型均为近源风暴岩,Ⅴ型为远源风暴岩。综合风暴岩的沉积特征,结合其剖面、平面展布,建立了研究区风暴沉积模式,从而形成大情字井区青二段三角洲前缘沉积与风暴沉积共同作用的认识,合理解释了实际钻遇砂体的复杂分布规律。研究成果可为该区后期油气高效勘探部署开发提供实际指导,亦可为相似油田区域沉积模式提供总结参考。

关键词：松辽盆地大情字井区青二段风暴沉积沉积模式

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Journal of Bioresources and Bioproducts 2022年第1期7卷 73-82页

作者： Jie Yang Yuchen Zhang Lei Zhou Fengshan Zhang Yi Jing mingzhi huang Hongbin Liu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources Nanjing Forestry UniversityNanjing 210037China Laboratory for Comprehensive Utilization of Paper Waste of Shandong Province Shandong Huatai Paper Co.Ltd.Dongying 257335China SCNU Environmental Research Institute Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety&MOE Key Laboratory of Theoretical Chemistry of EnvironmentSchool of EnvironmentSouth China Normal UniversityGuangzhou 510006China

Environmental problems have attracted much attention in recent years,especially for papermak-ing wastewater *** reduce the loss of effluence discharge violation,quality-related multivariate statistical methods have been successfully applied to achieve a robust wastewater treatment *** this work,a new dynamic multiblock partial least squares(DMBPLS)is pro-posed to extract the time-varying information in a large-scale papermaking wastewater treatment *** introducing augmented matrices to input and output data,the proposed method not only handles the dynamic characteristic of data and reduces the time delay of fault detection,but enhances the interpretability of *** addition,the DMBPLS provides a capability of fault location,which has certain guiding significance for fault *** comparison with other mod-els,the DMBPLS has a superior fault detection ***,the maximum fault detection rate of the DMBPLS is improved by 35.93%and 12.5%for bias and drifting faults,respectively,in comparison with partial least squares(PLS).

关键词： Dynamic multiblock partial least squares Multivariate statistical process monitoring Papermaking wastewater treatment process Quality-related fault detection Sensor fault

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血小板衍生生长因子BB参与生长板损伤修复的作用与机制

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中国组织工程研究 2025年第7期29卷 1497-1503页

作者：彭洪成彭国璇雷安毅林圆孙红宁旭尚显文邓进黄明智贵州医科大学附属医院骨科贵州省贵阳市550004 贵州医科大学临床医学院贵州省贵阳市550004 贵州医科大学附属医院急诊医学科贵州省贵阳市550004

背景:在生长板损伤炎症初期,血小板衍生生长因子BB通过促进间充质祖细胞浸润、软骨形成、成骨反应以及调控骨重塑来促进生长板损伤的修复。目的:总结血小板衍生生长因子BB在生长板损伤修复中的作用机制。方法:检索PubMed、维普、万方数... 详细信息

背景:在生长板损伤炎症初期,血小板衍生生长因子BB通过促进间充质祖细胞浸润、软骨形成、成骨反应以及调控骨重塑来促进生长板损伤的修复。目的:总结血小板衍生生长因子BB在生长板损伤修复中的作用机制。方法:检索PubMed、维普、万方数据和中国知网数据库,中文检索词为“生长板损伤,骨桥形成,血小板衍生因子BB,修复”,英文检索词为“growth plate injury,bone bridge,PDGF-BB,repair”,最终筛选66篇文章进行综述。结果与结论:生长板损伤经历早期炎症、血管重建、纤维骨化、结构重塑等病理进程,伴随着软骨细胞、血管内皮细胞、干细胞、成骨细胞、破骨细胞多种细胞交叉对话。血小板衍生生长因子BB作为损伤早期炎症反应的重要因子通过介导多种细胞炎症反应调控损伤修复过程,靶向血小板衍生生长因子BB介导的炎症刺激可能通过改善破骨细胞、成骨细胞、软骨细胞功能活性延缓生长板损伤骨桥形成进程,实现生长板损伤修复。血小板衍生生长因子BB对生长板损伤部位的血管生成和骨修复组织形成以及未损伤生长板的软骨内骨延长功能具有重要作用,抑制血小板衍生生长因子BB启动的血管形成与软骨内成骨之间的偶联效应将有可能实现生长板损伤修复。

关键词：生长板损伤骨桥血小板衍生生长因子BB 软骨再生综述

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Syntheses and Fungicidal Activities of Thiazole-5-carboxanilides Bearing Thioether Group

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Chemical Research in Chinese Universities 2016年第5期32卷 781-785页

作者： XUE Hansong LIU Aiping LIU Weidong LI Jianming REN Yeguo huang Lu HE Lian OU Xiaoming YE Jiao huang mingzhi College of Chemistry and Chemical Engineering Hunan University Changsha 410082 P R. China National Engineering Research Center for Agrochemicals Hunan Research Institute of Chemical Industry Changsha 410007 P. R. China Hunan Province Key Laboratory for Agrochemicals Hunan Research Institute of Chemical Industry Changsha 410014 P R. China Hunan Haili Chemical Industry Co. Ltd. Changsha 410007 P R. China

In an attempt to find leading thiazole carboxanilides exhibiting fungicidal activities, we designed and synthesized a new series of 2-sulfursubstituted thiazole carboxanilides via the reaction between 2-sulfur substituted thiazole carboxylic acid chlorides and substituted aniline. The fungicidal activities of the title compounds against Rhizoctonia solani were screened and the results were remarkable. The most potent compound 8i, N-[2~6-dich~~r^-4-（tri^u~r^methy~）pheny~]-2-methy^thi^-4-（tri^u~r^methy~）thiaz~~e-5-~arb^xamide~ was identified. The fungicidal ECs0 of compound 8i against Rhizoctonia solani was 1.28 mg/L, being comparable to that of Thiflu- zamide. The results indicate that compound 8i can be considered as a lead compound for further research.

关键词： Thiazole-5-carboxamide Fungicide Structure-activity relationship

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High‑Entropy Layered Oxide Cathode Enabling High‑Rate for Solid‑State Sodium‑Ion Batteries

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Nano-Micro Letters 2024年第1期16卷 160-171页

作者： Tianxun Cai mingzhi Cai Jinxiao Mu Siwei Zhao Hui Bi Wei Zhao Wujie Dong Fuqiang huang State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China State Key Laboratory of Rare Earth Materials Chemistry and Applications College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871People’s Republic of China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049People’s Republic of China Zhongke Institute of Strategic Emerging Materials Yixing 214213JiangsuPeople’s Republic of China

Na-ion O3-type layered oxides are prospective cathodes for Na-ion batteries due to high energy density and ***,such cathodes usually suffer from phase transitions,sluggish kinetics and air instability,making it difficult to achieve high performance solid-state sodium-ion ***,the high-entropy design and Li doping strategy alleviate lattice stress and enhance ionic conductivity,achieving high-rate performance,air stability and electrochemically thermal stability for Na_(0.95)Li_(0.06)Ni_(0.25)Cu_(0.05)Fe_(0.15)Mn_(0.49)O_(2).This cathode delivers a high reversible capacity(141 mAh g^(−1)at 0.2C),excellent rate capability(111 mAh g^(−1)at 8C,85 mAh g^(−1)even at 20C),and long-term stability(over 85%capacity retention after 1000 cycles),which is attributed to a rapid and reversible O3–P3 phase transition in regions of low voltage and suppresses phase ***,the compound remains unchanged over seven days and keeps thermal stability until 279℃.Remarkably,the polymer solid-state sodium battery assembled by this cathode provides a capacity of 92 mAh g^(−1)at 5C and keeps retention of 96%after 400 *** strategy inspires more rational designs and could be applied to a series of O3 cathodes to improve the performance of solid-state Na-ion batteries.

关键词： High-entropy High-rate performance Li-TM interaction Air stability O3 layered oxide cathode

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Synthesis,insecticidal and acaricidal activities of novel 2-arylpyrroles

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Science China Chemistry 2013年第1期56卷 117-123页

作者： LIU AiPing TANG Ming YU ShuYing LIU XingPing WANG XiaoGuang PEI Hui WU DaoXin HU Li OU XiaoMing huang mingzhi National Engineering Research Center for Agrochemicals Hunan Research Institute of Chemical Industry Hunan Province Key Laboratory for Agrochemicals School of Chemistry and Biological Engineering Changsha University of Science and Technology

To search for novel 2-arylpyrroles with unique biological activities,a series of novel 2-arylpyrrole derivatives were designed and synthesized,and their structures were characterized by 1 H and 13 C NMR spectroscopy,MS spectrometry,and elemental *** insecticidal activities against Lepidopteran pests (*** separata) and acaricidal activities against mites (*** urticae) were *** results of bioassays indicate that some of these title compounds exhibited excellent insecticidal and acaricidal *** example,4-bromo-1-((chloromethoxy)methyl)-2-(4-chloro phenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile (6a),4-bromo-2-(4-chlorophenyl)-1-((2-fluoroethoxy)-methyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile (6d) showed insecticidal activity against Mythimna separata and 4-bromo-2-(4-chlorophenyl)1-((isopropoxymethoxy)methyl)-5-(trifluoro methyl)pyrrole-3-carbonitrile (7d) showed acaricidal activity against Tetranychus *** were more effective than Chlorfenapyr,which has been the only commercialized member of a new class of chemicals of 2-arylpyrroles.

关键词： 2-arylpyrroles Chlorfenapyr synthesis insecticidal activity acaricidal activity

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