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Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application

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Acta Pharmaceutica Sinica B 2024年第2期14卷 623-634页

作者： Jiacheng Xiong Rongrong Cui Zhaojun Li Wei zhang Runze zhang Zunyun Fu Xiaohong Liu Zhenghao Li Kaixian Chen Mingyue Zheng Drug Discovery and Design Center State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China College of Computer and Information Engineering Dezhou UniversityDezhou 253023China ai Department Suzhou Alphama Biotechnology Co.Ltd.Suzhou 215000China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and TechnologyShanghaiTech UniversityShanghai 200031China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Aldehyde oxidase(AOX)is a molybdoenzyme that is primarily expressed in the liver and is involved in the metabolism of drugs and other ***-mediated metabolism can result in unexpected outcomes,such as the production of toxic metabolites and high metabolic clearance,which can lead to the clinical failure of novel therapeutic *** models can assist medicinal chemists in rapidly evaluating the AOX metabolic risk of compounds during the early phases of drug discovery and provide valuable clues for manipulating AOX-mediated metabolism *** this study,we developed a novel graph neural network called AOMP for predicting AOX-mediated *** integrated the tasks of metabolic substrate/non-substrate classification and metabolic site prediction,while utilizing transfer learning from 13C nuclear magnetic resonance data to enhance its performance on both *** significantly outperformed the benchmark methods in both cross-validation and external *** AOMP,we systematically assessed the AOX-mediated metabolism of common fragments in kinase inhibitors and successfully identified four new scaffolds with AOX metabolism liability,which were validated through in vitro ***,for the convenience of the community,we established the first online service for AOX metabolism prediction based on AOMP,which is freely available at https://***.

关键词： Drugmetabolism Aldehyde oxidase Transferlearning Graph neural network Kinase inhibitor

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Potential of eNose Technology for Monitoring Biological CO_(2) Conversion Processes

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Transactions of Tianjin University 2024年第5期30卷 381-394页

作者： Muhammad Awais Syed Muhammad Zaigham Abbas Naqvi Sami Ullah Khan MIjaz Khan Sherzod Abdullaev Junfeng Wu Wei zhang Jiandong Hu Department of Electrical Engineering Henan Agricultural UniversityZhengzhou 450002China Henan International Joint Laboratory of Laser Technology in Agriculture Sciences Zhengzhou 450002China State Key Laboratory of Wheat and Maize Crop Science Zhengzhou 450002China Department of Mathematics Namal UniversityTalagang RoadMianwali 42250Pakistan Department of Mechanical Engineering Prince Mohammad Bin Fahd University31952 Al-KhobarKingdom of Saudi Arabia Faculty of Chemical Engineering New Uzbekistan UniversityTashkentUzbekistan Scientific and Innovation Department Tashkent State Pedagogical UniversityTashkentUzbekistan

Electronic nose(eNose) is a modern bioelectronic sensor for monitoring biological processes that convert CO_(2) into valueadded products, such as products formed during photosynthesis and microbial fermentation. eNose technology uses an array of sensors to detect and quantify gases, including CO_(2), in the air. This study briefly introduces the concept of eNose technology and potential applications thereof in monitoring CO_(2) conversion processes. It also provides background information on biological CO_(2) conversion processes. Furthermore, the working principles of eNose technology vis-à-vis gas detection are discussed along with its advantages and limitations versus traditional monitoring methods. This study also provides case studies that have used this technology for monitoring biological CO_(2) conversion processes. eNose-predicted measurements were observed to be completely aligned with biological parameters for R~2 values of 0.864, 0.808, 0.802, and 0.948. We test eNose technology in a variety of biological settings, such as algae farms or bioreactors, to determine its effectiveness in monitoring CO_(2) conversion processes. We also explore the potential benefits of employing this technology vis-à-vis monitoring biological CO_(2) conversion processes, such as increased reaction efficiency and reduced costs versus traditional monitoring methods. Moreover, future directions and challenges of using this technology in CO_(2) capture and conversion have been discussed. Overall, we believe this study would contribute to developing new and innovative methods for monitoring biological CO_(2) conversion processes and mitigating climate change.

关键词： Electronic nose(eNose) CO_(2) conversion Biological monitoring Gas detection Bioelectronic nose

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Menetrier's　disease　with　lymphocytic　gastritis：Report　of　two　cases

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World Journal of Gastroenterology 1996年第2期2卷 64-65页

作者： Xiang-Sheng zhang Yan zhang Shu-Hua Wu Yu-Zheng Han bin Li Yun Ma Xiang-Sheng zhang Yan Zhang Shu-Hua Wu Yu-Zheng Han Bin Li Yun Ma Department of Pathology Binzhou Medical College Binzhou 256603 Shandong Province China

Ｍｅｎｅｔｒｉｅｒ′ｓｄｉｓｅａｓｅｗｉｔｈｌｙｍｐｈｏｃｙｔｉｃｇａｓｔｒｉｔｉｓ：ＲｅｐｏｒｔｏｆｔｗｏｃａｓｅｓＺＨＡＮＧＸｉａｎｇＳｈｅｎｇ，ＺＨＡＮＧＹａｎ，ＷＵＳｈｕＨｕａ，ＨＡＮＹｕＺｈｅｎｇ，... 详细信息

Ｍｅｎｅｔｒｉｅｒ′ｓｄｉｓｅａｓｅｗｉｔｈｌｙｍｐｈｏｃｙｔｉｃｇａｓｔｒｉｔｉｓ：ＲｅｐｏｒｔｏｆｔｗｏｃａｓｅｓＺＨＡＮＧＸｉａｎｇＳｈｅｎｇ，ＺＨＡＮＧＹａｎ，ＷＵＳｈｕＨｕａ，ＨＡＮＹｕＺｈｅｎｇ，ＬＩＢｉｎａｎｄＭＡＹｕｎＳｕｂｊ...

关键词： Report

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A multimodal integration pipeline for accurate diagnosis, pathogen identification, and prognosis prediction of pulmonary infections

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The Innovation 2024年第4期5卷 63-73,62页

作者： Jun Shao Jiechao Ma Yizhou Yu Shu zhang Wenyang Wang Weimin Li Chengdi Wang Department of Pulmonary and Critical Care Medicine State Key Laboratory of Respiratory Health and MultimorbidityWest China HospitalWest China School of MedicineSichuan UniversityChengdu 610041China Targeted Tracer Research and Development Laboratory Institute of Respiratory HealthFrontiers Science Center for Disease-related Molecular NetworkWest China HospitalSichuan UniversityChengdu 610213China Frontiers Medical Center Tianfu Jincheng LaboratoryChengdu 610213China ai Lab Deepwise HealthcareBeijing 100080China Department of Computer Science The University of Hong KongHong Kong SARChina

Pulmonary infections pose formidable challenges in clinical settings with high mortality rates across all age groups *** diagnosis and early intervention are crucial to improve patient *** intelligence(ai)has the capability to mine imaging features specific to different pathogens and fuse multimodal features to reach a synergistic diagnosis,enabling more precise investigation and individualized clinical *** this study,we successfully developed a multimodal integration(MMI)pipeline to differentiate among bacterial,fungal,and viral pneumonia and pulmonary tuberculosis based on a real-world dataset of 24,107 *** area under the curve(AUC)of the MMI system comprising clinical text and computed tomography(CT)image scans yielded 0.910(95%confidence interval[CI]:0.904–0.916)and 0.887(95%CI:0.867–0.909)in the internal and external testing datasets respectively,which were comparable to those of experienced ***,the MMI system was utilized to rapidly differentiate between viral subtypes with a mean AUC of 0.822(95%CI:0.805–0.837)and bacterial subtypes with a mean AUC of 0.803(95%CI:0.775–0.830).Here,the MMI system harbors the potential to guide tailored medication recommendations,thus mitigating the risk of antibiotic ***,the integration of multimodal factors in the ai-driven system also provided an evident advantage in predicting risks of developing critical illness,contributing to more informed clinical *** revolutionize medical care,embracing multimodal ai tools in pulmonary infections will pave the way to further facilitate early intervention and precise management in the foreseeable future.

关键词： diagnosis modal integration

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Transforming growth factor-β1 in invasion and metastasis in colorectal cancer

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World Journal of Gastroenterology 2002年第4期8卷 674-678页

作者： bin Xiong Hong-Yin Yuan Ming-Bo Hu Feng zhang Zheng-Zhuan Wei Ling-Ling Gong Guo-Liang Yang Department of Oncology,Affiliated Zhongnan Hospital of Wuhan University,Wuhan 430071,Hubei Province,China bin Xiong Hong-Yin Yuan Ming-Bo Hu Feng Zhang Zheng-Zhuan Wei Ling-Ling Gong Guo-Liang Yang Department of Oncology Affiliated Zhongnan Hospital of Wuhan University Wuhan 430071 Hubei Province China

aiM：To investigate the role of TGFβ1 in invasion and metastasis in colorectal cancer by analysing TGFβ1 correlated wity depth of tumor invasion,stage and ***:Serum TGFβ1levels were determined in50patients with colorectal cancer and 30healthy volunteers using a TGFβ1 enzyme-linked immunosorbent ***β1 expression in primary and lymph node metastatic lesions were detected in 98cases of colorectal cancer by immunohistochemical staining and in situ ***:Serum levels of TGFβ1 in patients with colorectal cancer(40±18μg·L^-1)were significantly higher than those in the healthy control group(19±8μg·L^-1),Pained in37.8%(37/98)of colorectal cancer,and this expression was confirmed by in situ hybridization,Among35cases of colorectal cancer with lymph node metastatic lesions,TGFβ1 positive staining was found in18(51.4%)cases of primary tumor,and 25(71.4%)cases with lymph node metastatic lesions,respectively,Of17cases with no staining in the primary lesion.7(41.2%)casesshowed TGFβ1 staining in the metastatic *** TGFβ1 levels and TGFβ1 expression in colorectal cancer tissues were correlated significantly with depth of tumor invasion,stage and metastasis,Patients in stage C-D,T3-T4and with metastasis had significantly higher TGFβ1 levels than patients in stage A-B,T1-T2and without metastasis(P<0.05).CONCLUSION:These results suggest that transforming growth factor-β1 is closely related to the invasion and metastasis of colorectal *** increased the invasive and metastatic potential of tumor by altering a tumor ***β1 ma

关键词：结直肠癌转化生长因子β1 肿瘤侵袭肿瘤转移作用机制

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Environmental contact modeling for the earthworm-like robot via the novel elementary mechanical network

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Science China(Technological Sciences) 2022年第6期65卷 1366-1382页

作者： HE KunPeng zhang XiaoXu Institute of ai and Robotics Fudan UniversityShanghai 200433China Shanghai Engineering Research Center of ai&Robotics Fudan UniversityShanghai 200433China MOE Engineering Research Center of ai&Robotics Fudan UniversityShanghai 200433China

The earthworm-like robot is designed for prospective applications such as disaster rescue and pipeline detection in natural ***,current studies on the interaction modeling between the earthworm-like robot and the environment only consider rigid *** simplification limits the reliability of dynamic analysis and locomotion optimization on soft surfaces,such as ***,developing a method for refined contact modeling for the earthworm-like robot and describing the contact effect induced by the soft environmental medium is *** this end,this paper proposes a new modeling architecture called the elementary mechanical network(EMN).EMN is constructed as fractal structures for the convenience of network ***,elementary mechanical elements,such as the damper,spring,and slider,are parallelly connected to constitute a basic ***,the modules are serially linked to create a ***,the groups are parallelly assembled to form the *** is also proven to be equivalent to recurrent neural networks in specific ***,EMN inherits the advantages of physical interpretability from mechanical elements and universal approximability from conventional *** addition,particle swarm optimization and Boolean operation are employed for network weight training and topological *** examples show that using EMNs with identical initial structures can accurately describe diverse empirical models in the minimum *** is applied for contact modeling for the earthworm-like locomotion robot in the dry sand based on such *** experiment measures the normal and tangential ground reaction forces with different sinkage depths and locomotion *** results reveal a common law that the contact effect in the dry sand is similar to Coulomb *** proposed EMN does not require prior system knowledge and promises a minimal physical representation,thus encouraging a succes

关键词： bioinspired locomotion robot data-driven modeling reconfigurable network soft terrain system identification

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Unsupervised Color Segmentation with Reconstructed Spatial Weighted Gaussian Mixture Model and Random Color Histogram

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Computers, Materials & Continua 2024年第3期78卷 3323-3348页

作者： Umer Sadiq Khan Zhen Liu Fang Xu Muhib Ullah Khan Lerui Chen Touseef Ahmed Khan Muhammad Kashif Khattak Yuquan zhang School of Computer and Information Science Hubei Engineering UniversityXiaogan432000China Institute for ai Industrial Technology Research Hubei Engineering UniversityXiaogan432000China Key Lab of Mountain Hazards and Surface Processes Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengdu610041China University of Chinese Academy of Sciences Beijing100049China College of Aviation Zhongyuan University of TechnologyZhengzhou451191China Research Center of Digital Mountain and Remote Sensing Application Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengdu610041China School of Computer Science University of PoonchAzad Jammu Kashmir12350Pakistan School of Computer Science and Information Engineering Hubei UniversityWuhan430062China

Image classification and unsupervised image segmentation can be achieved using the Gaussian mixture *** the Gaussian mixture model enhances the flexibility of image segmentation,it does not reflect spatial information and is sensitive to the segmentation *** this study,we first present an efficient algorithm that incorporates spatial information into the Gaussian mixture model(GMM)without parameter *** proposed model highlights the residual region with considerable information and constructs color ***,we incorporate the content-based color saliency as spatial information in the Gaussian mixture *** segmentation is performed by clustering each pixel into an appropriate component according to the expectation maximization and maximum ***,the random color histogram assigns a unique color to each cluster and creates an attractive color by default for segmentation.A random color histogram serves as an effective tool for data visualization and is instrumental in the creation of generative art,facilitating both analytical and aesthetic *** experiments,we have used the Berkeley segmentation dataset BSDS-500 and Microsoft Research in Cambridge *** the study,the proposed model showcases notable advancements in unsupervised image segmentation,with probabilistic rand index(PRI)values reaching 0.80,BDE scores as low as 12.25 and 12.02,compactness variations at 0.59 and 0.7,and variation of information(VI)reduced to 2.0 and 1.49 for the BSDS-500 and MSRC datasets,respectively,outperforming current leading-edge methods and yielding more precise segmentations.

关键词： Unsupervised segmentation color saliency spatial weighted GMM random color histogram

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基于联邦多任务学习的智慧教室隐私保护研究

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现代教育技术 2024年第9期34卷 123-132页

作者：杨雨浓徐澳张春炯谢涛重庆师范大学计算机信息科学学院重庆401331 亚洲大学ai收敛网络系韩国水原16499 西南大学教育学部重庆400715

在5G时代,随着联网设备的增多,智慧教室中的数据传输变得异常复杂,将联邦学习应用于智慧教室的隐私保护具有重要意义。尽管已有的联邦学习技术在平衡公平性和准确性方面取得了积极进展,但在解决智慧教室场景中的隐私保护问题方面还不够... 详细信息

在5G时代,随着联网设备的增多,智慧教室中的数据传输变得异常复杂,将联邦学习应用于智慧教室的隐私保护具有重要意义。尽管已有的联邦学习技术在平衡公平性和准确性方面取得了积极进展,但在解决智慧教室场景中的隐私保护问题方面还不够彻底。基于此,文章首先剖析了智慧教室中的多任务学习场景,建立了适用于智慧教室的多任务机器学习公平性模型。随后,文章提出了基于联邦学习框架的智慧教室隐私保护策略——联邦多任务机器学习框架。为了验证此框架的有效性,文章开展了计算机仿真实验,实验结果显示:联邦多任务机器学习框架不仅实现了多任务机器学习公平性和准确性的平衡,而且具有较强的隐私保护能力。文章的研究可为教育数据隐私保护提供重要参考,并有力推动教育数字化转型。

关键词：智慧教室联邦学习隐私保护多任务机器学习

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Functional Role of Neuropeptide Leucokininll in Growth Inhibition of Red Palm Weevil Rhynchophorus ferrugineus

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Journal of Agricultural Science and Technology(A) 2012年第8期2卷 988-996页

作者： Mona Mohammed Saleh A1-Dawsary College Science and Humanities Salman Bin Abdul Aziz University AI-Kharj Kingdom Saudi Arabia

Peptides are known to on act to discourage the growth of insects. In this perspective, authors studied the biological and physiological effects of LeucokininlI on the growth of Red Palm Weevil through adult insect feeding of the sugar cane treated with different concentrations （0.05%, 0. I%, 0.25%, 0.4%） and biological effects on the number of eggs, the percentage of hatching, the length of the generation and the proportion of deformation, Results showed that there is a significant reduction in the number of eggs laid by the insects as the average number of eggs/female 75.7, 63.5, 59.4, 55.1 egg for each of the concentrations, respectively, compared with the average 140.2 egg in the control group, and reduction of percentages of hatching in all treatment as 71.4%, 64.6%, 70% and 71.5% respectively, compared with 79.3% of the control group. The percentage of deformations in egg densities included 44.4%, 15.4%, 22.6%, 27.8% compared to the control group. The results showed that there are a number of large deformations in the resulting larvae for different treatments. The conclusion is drawn that this study using LeucokininlI confirmed inhibition growth and caused an imbalance in the development stages of different insects due to its effect on the hormones that control molting of insects. This conclusion is furthermore apparent in the larval stage, as it appeared that Leucokininll prevents the insect from completing its life cycle. Test results using LeucokininlI are encouraging, and its future potential use in reducing Red Palm Weevil deserves broader studies. If the spread of currently known that this LeucokininlI is without prejudice to the work of the hormonal system.

关键词： R. ferrugineus neuropeptide hatching deformation treatment hormones LeucokininlI.

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Effect of 1,25-dihydroxyvitamin D3 on preventing allograft from acute rejection following rat orthotoic liver transplantation

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World Journal of Gastroenterology 2003年第5期9卷 1067-1071页

作者： ai-bin zhang Shu-Sen Zheng Chang-Ku Jia Yan Wang Department of Hepatobiliary Pancreatic Surgery,The First Affiliated Hospital of Medicine School,Zhejiang University,Key Lab of Combined Multi-Organ Transplantation,Ministry of Public Health,Hangzhou 310003,Zhejiang Province,China ai-bin zhang Shu-Sen Zheng Chang-Ku Jia Yan Wang Department of Hepatobiliary Pancreatic Surgery The First Affiliated Hospital of Medicine School Zhejiang University Key Lab of Combined Multi-Organ Transplantation Ministry of Public Health Hangzhou 310003 Zhejiang Province China

aiM: To study the mechanism and the preventive role of 1,25-dihydroxyvitamin D3 in acute rejection following orthotopic liver ***: Rats were randomly divided as donors or recipients for orthotopic liver allotransplantation model. Four groups were designed in the study, Group Ⅰ: syngenic control (Wistar to Wistar); Group Ⅱ: acute rejection (SD to Wistar);Group Ⅲ: acute rejection treated with cyclosporine A, and Group Ⅳ: acute rejection treated with 1,25-(OH)2D3. Liver function, rejection activity index and mRNA of IFN-γ, IL-10intragraft in recipients were measured on day t, 5, 7, 15,30 posttransplant for assessing graft function, severity of acute rejection and immune state of ***: Survival time of recipients in Group Ⅳ was significantly prolonged (4/6 recipients survived for over 100days. vs Group Ⅱ, P＜0.001; vs Group Ⅲ, P＞0.05). After treatment with 1,25-(OH)2 D3, mean value of all the assay tested on each experimental time was compared, liver function in group Ⅳ was significantly improved (AST 127±41U/L-360±104 U/L, BIL 13±5 mmol/1-38±11 mmol/l; vs Group Ⅱ, P＜0.05; vs Group Ⅲ, P＞0.05. Rejection activity index was significantly decreased (0-3.3±1.6; vsGroup Ⅱ, P＜0.05;vsGroup Ⅲ, P＞0.05). Level of hepatic IFN-γ, mRNA in group Ⅳ was decreased, while level of hepatic IL-10 mRNA was increased (vs Group Ⅱ, P＜0.05; vs Group Ⅲ, P＞0.05).CONCLUSION: Our results indicated that 1,25-(OH)2D3induced the secretion of cytokine toward to Th2 type, which would alleviate acute rejection, protect liver function and prolong survival of recipient after orthotopic liver transplantation.

关键词： 1,25-二羟基维生素D3 同种异体移植急性排斥反应矫形肝移植术动物实验作用机制

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