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Enantioselective Palladium(II)-Catalyzed Desymmetrizative Coupling of 7-Azabenzonorbornadienes with Alkynylanilines

Angewandte Chemie 2023年第1期136卷

作者： Junjie Meng Hui He Qianru Liu Prof. Hanhong Xu Prof. Dr. Huicai Huang Prof. Dr. Shao-Fei Ni Prof. Dr. Zhaodong Li National Key Laboratory of Green Pesticide College of Materials and Energy South China Agricultural University Guangzhou 510641 Guangdong China These authors contributed equally to this work co-first authors Department of Chemistry Shantou University Shantou 515063 Guangdong China Key Laboratory of Chinese Medicinal Resource from Lingnan Ministry of Education School of Pharmaceutical Sciences Guangzhou University of Chinese Medicine Guangzhou 510641 Guangdong China National Key Laboratory on Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture School of Pharmacy Nanjing University of Chinese Medicine Nanjing 210023 Jiangsu China

A Pd II -catalyzed, domino enantioselective desymmetrizative coupling of 7-azabenzonorbornadienes with alkynylanilines is disclosed herein. This operationally simple transformation generates three covalent bonds and two contiguous stereocenters with excellent enantio- and diastereo-selectivity. The resulting functionalized indole-dihydronaphthalene-amine conjugates served as an appealing platform to streamline the diversity-oriented synthesis (DOS) of other valuable enantioenriched compounds. DFT calculations revealed that the two stabilizing non-covalent interactions contributed to the observed enantioselectivity.

关键词： Aminopalladation Asymmetric Synthesis Desymmetrization Domino Reactions Homogeneous Catalysis

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Investigation into neuroleptic malignant syndrome triggered by atypical antipsychotics: Insights from FDA adverse event reporting system database

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Journal of affective disorders 2025年 386卷 119481页

作者： Jinhao He Xuehu Luo Cong Li Wei Zhong Mo Sun Chenning Zhang Department of Pharmacy The Third Affiliated Hospital of Chengdu Medical College Chengdu Pidu District People's Hospital Chengdu 611730 Sichuan China. School of Biological Sciences Georgia Institute of Technology Atlanta GA 30332 USA. Department of Pharmacy Xiangyang No.1 People's Hospital Hubei University of Medicine Xiangyang 441000 Hubei China National Key Laboratory on Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture Jiangsu Kanion Pharmaceutical Co. Ltd. Lianyungang 222001 China. Electronic address: zhangcn1118@***.

OBJECTIVE:Neuroleptic malignant syndrome (NMS) is a rare but potentially life-threatening reaction associated with dopamine antagonists, particularly typical antipsychotics. Despite the relatively low incidence of NMS linked to atypical antipsychotics (AAPs), there is a notable lack of extensive real-world studies investigating this condition. methods:This study utilizes data from the FDA Adverse Event Reporting System (FAERS) from 2004 to 2024, employing disproportionality analysis to explore the association between fourteen commonly prescribed AAPs and NMS. Multivariate logistic regression was conducted to identify risk factors for mortality related to NMS. RESULTS:We analyzed 79,980 primary suspected adverse drug event (ADE) reports for NMS, revealing a slight male predominance and a median age of 48 years (Interquartile Range [IQR]: 31-64). Patients were primarily located in Europe and the United States. Ziprasidone exhibited the strongest pharmacovigilance signal (Reporting Odds Ratio [ROR] = 3.09; 95 % confidence interval [CI]: 2.97-3.21), while lurasidone showed the lowest signal strength (ROR = 1.58; 95 % CI: 1.52-1.65). The median time to onset of NMS was 42 days (IQR: 9-328.25). Significant mortality risk factors included age ≥ 65 years (Odds Ratio [OR] = 4.45; 95 % CI: 3.33-5.95), Parkinson's disease (OR = 32.69; 95 % CI: 14.75-72.46), and malignant hyperthermia (OR = 25.23; 95 % CI: 8.62-73.83), with an area under the curve (AUC) of 0.877. CONCLUSION:This study provides vital pharmacovigilance insights regarding NMS related to AAPs, enhancing the understanding of its clinical implications.

关键词： Adverse drug events Atypical antipsychotic FAERS Neuroleptic malignant syndrome

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Corrigendum to “Design, synthesis, and biological evaluation of novel BTK-targeting proteolysis targeting chimeras (PROTACs) with enhanced pharmacokinetic properties” [Eur. J. Med. Chem. 289 (2025) 117420]

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European Journal of Medicinal Chemistry 2025年 296卷

作者： Ying Lin Jing Liu Xinjian Tian Jin Wang Huahua Su Jianpin Xiang Tao Cao Yonghui Wang Qiong Xie Xufen Yu Department of Medicinal Chemistry School of Pharmacy Fudan University 826 Zhangheng Road Shanghai Shanghai 201203 China Department of Pharmacy Shanghai Fifth People's Hospital Fudan University 801 Heqing Road Shanghai Shanghai 200240 China School of Pharmacy Nanjing University of Chinese Medicine Nanjing Jiangsu 210023 China State Key Laboratory on Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture Nanjing University of Chinese Medicine Nanjing Jiangsu 210023 China Key Laboratory of Smart Drug Delivery (Ministry of Education) Fudan University Shanghai Shanghai 201203 China MOE Innovative Center for New Drug Development of Immune Inflammatory Diseases Fudan University Shanghai Shanghai 201203 China

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Quality control methods established in view of the characteristics of component type of Yuhuang Shengji ointment based on HPLC, ICP-MS and GC e-nose

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Chinese Journal of Analytical Chemistry 2025年第7期53卷

作者： Kewei WANG Ying ZHANG Xilong QIAN Zheng LIU Weihua ZHANG Liu ZHOU Yanqiong PAN Liwen ZHENG Fang FANG Yang ZHANG Yehuang WANG Bin JIANG Shengjin LIU State Key Laboratory of Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture Nanjing University of Chinese Medicine Nanjing 210000 PR China Nanjing Hospital of Chinese Medicine Affiliated to Nanjing University of Chinese Medicine Nanjing 210022 PR China School of Pharmacy Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization Nanjing University of Chinese Medicine Nanjing 210023 PR China School of Chinese Medicine Nanjing University of Chinese Medicine Nanjing 210023 PR China Taikang Xianlin Drum Tower Hospital Nanjing 210023 PR China Nanjing Integrated Traditional Chinese and Western Medicine Hospital Nanjing 210014 PR China

Yuhuang Shengji ointment (YSO) is a traditional Chinese medicine clinical prescription from Professor Wang Yehuang, a famous Chinese medicine professor in Jiangsu Province, China. It is used for the treatment of postoperative healing of anal fistula in clinic practice. It is composed of Corydalis Rhizoma, Radix Sanguisorbae Carbonisata, Natrii Sulfas, Alumen Ustum, Plant Soot and Borneolum. It has the effects of eliminating dampness, astringing sores, hemostasis, pain relief, detumescence and muscle regeneration. According to the characteristics that YSO mainly contains inorganic, organic and volatile components, the comprehensive quality control of the ointment was achieved by different analytical methods. The organic components in the ointment were qualitatively analyzed by ultra performance liquid chromatography coupled with quadrupole time of flight mass spectrometry (UPLC-Q-TOF-MS) to determine the main chemical components. High performance liquid chromatography (HPLC) fingerprint of the organic components of the ointment was further established. Inductively coupled plasma mass spectrometry (ICP-MS) technology is used to analyze the inorganic elements in ointment, which provides data support for the quality control of inorganic components. The flash GC e-nose is used for rapid detection of volatile substances in ointment, and the fingerprint of volatile components is established. The comprehensive use of these analytical techniques not only reflects the overall chemical characteristics of the ointment, but also helps to evaluate the consistency between different batches of products. This study successfully established a comprehensive quality analysis method, which provided a basis for the quality control of YSO. At the same time, it provides a more comprehensive quality control strategy for ointment which mainly contains organic, inorganic and volatile components.

关键词： Ointment Traditional Chinese medicine compound containing mineral medicine HPLC ICP-MS Flash GC e-nose LC-MS/MS Fingerprint Quality control

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Profiling Adaptive Immunity: A Quantitative Framework for Immune Repertoire Dynamics and Clinical Diagnostics

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Fundamental Research 2025年

作者： Yexing Chen Haiwen Ni Yongjie Li Jin Ma Chen Huang Sixian Yang Xiangfei Xie Haitao Lv Min Li Peng Cao State Key Laboratory of Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture Nanjing University of Chinese Medicine Nanjing 210000 China Jiangsu Provincial Medical Innovation Center Affiliated Hospital of Integrated Traditional Chinese and Western Medicine Nanjing University of Chinese Medicine Nanjing 210000 China Department of Hematology Affiliated Hospital of Nanjing University of Chinese Medicine The First Clinical College of Nanjing University of Chinese Medicine Nanjing 210000 China Children’s Hospital of Soochow University Suzhou 215000 China Key Laboratory of Quantum Information University of Science and Technology of China Hefei 230000 China Department of Computer Science College of Engineering and Applied Science University of Cincinnati Cincinnati 45221 USA Department of Oncology Nanjing Hospital of Chinese Medicine Affiliated to Nanjing University of Chinese Medicine Nanjing 210000 China

While immune repertoire(IR) dynamics encode critical disease signatures, existing models fail to capture the non-equilibrium processes that governing clonal selection and somatic hypermutation (SHM). We develop a biophysical framework that mathematically reconstructs IR evolution through energy landscape optimization, where 1) clonal emergence probabilities map to metastable states, 2) repertoire transitions obey non-equilibrium dynamics, and 3) inter-IR distances quantify the distribution transformation costs via optimal transport theory. This model enables macroscopic immune state detection from 10k cells by resolving critical fluctuations in sparse sampling regimes. Experimental validation across murine/human cohorts demonstrates precise unsupervised stratification of immune stages and disease states without prior clinical annotations. By bridging stochastic SHM kinetics with deterministic repertoire shifts, our approach establishes quantitative metrics for tracking immunological trajectories and pathological progression. This paradigm shift from static pattern recognition to dynamic process decoding empowers sensitive immunomonitoring and personalized therapeutic design through ultra-low-input clinical sampling.

关键词： Deductive reasoning Immune repertoire analysis Repertoire shift quantification Early disease screening Systemic immunity inference Kawasaki disease Colorectal cancer

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Molecular mechanisms of acquired resistance to EGFR tyrosine kinase inhibitors in non-small cell lung cancer

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Drug Resistance Updates 2025年

作者： Zhenfang Du Hongfei Kan Jinghan Sun Yue Liu Jiahui Gu Shugela Akemujiang Yudi Zou Lufan Jiang Qinzhuo Wang Chen Li Lei Luo Yunkai Zhang Hong Fan Pengfei Luo Bo Wang Department of Genetics and Developmental Biology School of Medicine Southeast University Nanjing Jiangsu 210003 China School of Pharmacy Nanjing University of Chinese Medicine Nanjing Jiangsu 210023 China School of Life Science and Technology Southeast University Nanjing 210018 China Translational Research Cancer Institute Peking University Shenzhen Hospital Shenzhen-Peking University-Hong Kong University of Science and Technology Medical Center Shenzhen 518036 China Department of Pharmacy The First Affiliated Hospital of Xi'an Jiaotong University Xi’an Shaanxi 710048 China BioSpatula LLC Telford PA 18969 USA Department of Oncology The Central Hospital of Yongzhou Yongzhou Hunan 425002 China State Key Laboratory on Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture Nanjing University of Chinese Medicine Nanjing 210023 China

Tyrosine kinase inhibitors (TKIs) have revolutionized the management of epidermal growth factor receptor (EGFR)-mutant non-small cell lung cancer (NSCLC). Despite the initially favorable outcomes, these patients inevitably acquire resistance to EGFR-TKIs. The molecular mechanism of the acquired resistance is highly complex and heterogeneous, and can be generalized as three categories, including EGFR pathway reactivation (re-engagement of EGFR downstream), EGFR pathway bypass (adoption of a parallel pathway to re-engage the downstream transcriptional oncogenic output of the original EGFR), and EGFR pathway indifference (acquirement of a cellular state alternate to the original EGFR-driven output). This review summarizes the recent progress on the identification and understanding of the acquired resistance mechanisms to EGFR-TKIs in patients with NSCLC. The potential strategies to delay or overcome the acquired resistance are also discussed.

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Bio-Syncretic Light-gated Field-Effect Transistor: Fabrication and Characterization

Bio-Syncretic Light-gated Field-Effect Transistor: Fabricati...

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IEEE Conference on Nanotechnology

作者： Jia Yang Wenxue Wang Gongxin Li Guangyong Li Ning Xi Lianqing Liu State Key Laboratory of Robotics Institutes for Robotics and Intelligent Manufacturing Chinese Academy of Sciences Shenyang China State Key Laboratory of Robotics Intelligent Manufacturing Chinese Academy of Sciences Shenyang China Key Laboratory of Advanced Process Control for Light Industry (Ministry of Education) Jiangnan University Wuxi China Department of Electrical and Computer Engineering University of Pittsburgh Pittsburgh United States Emerging Technologies Institute University of Hong Kong Pokfulam Hong Kong

Biological visual system has many intrinsic functional superiorities, such as small size, high sensitivity and no heat-sink cooling, which are hard to be completely replicated by electromechanical systems. The bio-syncretic design of sensing device with living materials may provide some functional superiorities to those conventional sensing devices, and will have great potential benefits in both biomedical and engineering applications. In this study, we developed a novel bio-syncretic light-gated field-effect transistor (FET), in which optogenetically engineered cells were used as the gate substitute for conventional gate electrode, and the exposure of the cells to light irradiation results in the variation of the transistor's channel current. The bio-syncretic transistor was fabricated by virtue of graphene film and optogenetically engineered cells, and its basic photo-responsive performance was then tested and characterized. This reference-less bio-syncretic transistor has a wide range of potential applications in photodetection and biosensing with good biocompatibility and stability.

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Author Correction: A multi-country test of brief reappraisal interventions on emotions during the COVID-19 pandemic

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Nature human behaviour 2022年第9期6卷 1318-1319页

作者： Ke Wang Amit Goldenberg Charles A Dorison Jeremy K Miller Andero Uusberg Jennifer S Lerner James J Gross Bamikole Bamikole Agesin Márcia Bernardo Olatz Campos Luis Eudave Karolina Grzech Daphna Hausman Ozery Emily A Jackson Elkin Oswaldo Luis Garcia Shira Meir Drexler Anita Penić Jurković Kafeel Rana John Paul Wilson Maria Antoniadi Kermeka Desai Zoi Gialitaki Elizaveta Kushnir Khaoula Nadif Olalla Niño Bravo Rafia Nauman Marlies Oosterlinck Myrto Pantazi Natalia Pilecka Anna Szabelska I M M van Steenkiste Katarzyna Filip Andreea Ioana Bozdoc Gabriela Mariana Marcu Elena Agadullina Matúš Adamkovič Marta Roczniewska Cecilia Reyna Angelos P Kassianos Minja Westerlund Lina Ahlgren Sara Pöntinen Gabriel Agboola Adetula Pinar Dursun Azuka Ikechukwu Arinze Nwadiogo Chisom Arinze Chisom Esther Ogbonnaya Izuchukwu L G Ndukaihe Ilker Dalgar Handan Akkas Paulo Manuel Macapagal Savannah Lewis Irem Metin-Orta Francesco Foroni Megan Willis Anabela Caetano Santos Aviv Mokady Niv Reggev Merve A Kurfali Martin R Vasilev Nora L Nock Michal Parzuchowski Mauricio F Espinoza Barría Marek Vranka Markéta Braun Kohlová Ivan Ropovik Mikayel Harutyunyan Chunhui Wang Elvin Yao Maja Becker Efisio Manunta Gwenael Kaminski Jordane Boudesseul Dafne Marko Kortnee Evans David M G Lewis Andrej Findor Anais Thibault Landry John Jamir Benzon Aruta Manuel S Ortiz Zahir Vally Ekaterina Pronizius Martin Voracek Claus Lamm Maurice Grinberg Ranran Li Jaroslava Varella Valentova Giovanna Mioni Nicola Cellini Sau-Chin Chen Janis Zickfeld Karis Moon Habiba Azab Neil Levy Alper Karababa Jennifer L Beaudry Leanne Boucher W Matthew Collins Anna Louise Todsen Kevin van Schie Jáchym Vintr Jozef Bavolar Lada Kaliska Valerija Križanić Lara Samojlenko Razieh Pourafshari Sandra J Geiger Julia Beitner Lara Warmelink Robert M Ross Ian D Stephen Thomas J Hostler Soufian Azouaghe Randy McCarthy Anna Szala Caterina Grano Claudio Singh Solorzano Gulnaz Anjum William Jimenez-Leal Maria Bradford Laura Calderón Pérez Julio E Cruz Vásquez Oscar J Galindo-Caballero Juan Cami Harvard Kennedy School Harvard University Cambridge MA USA. Harvard Business School Harvard University Cambridge MA USA. Kellogg School of Management Northwestern University Evanston IL USA. Department of Psychology Willamette University Salem OR USA. millerj@willamette.edu. Institute of Psychology University of Tartu Tartu Estonia. Harvard Kennedy School and Department of Psychology Harvard University Cambridge MA USA. Department of Psychology Stanford University Stanford CA USA. Adekunle Ajasin University Akungba Akoko Nigeria. Faculdade de Psicologia e Ciências da Educação Universidade do Porto Porto Portugal. University of Deusto Barakaldo Spain. University of Navarra Pamplona Spain. University of Valencia Valencia Spain. Stockholm University Stockholm Sweden. California State University Northridge Los Angeles CA USA. Indiana University of Pennsylvania Indiana PA USA. Universidad de Navarra Pamplona Spain. Department of Cognitive Psychology Institute of Cognitive Neuroscience Ruhr University Bochum Bochum Germany. Kindergarten Kustošija Zagreb Croatia. GC University Lahore Lahore Pakistan. Montclair State University Jersey City NJ USA. European University of Cyprus Nicosia Cyprus. Indiana University of Pennsylvania Akron PA USA. Leiden University Culemborg The Netherlands. Stockholm Sweden. Poggio Imperiale Italy. Barakaldo Spain. Islamabad Pakistan. Gent Belgium. Oxford Internet Institute University of Oxford Oxford UK. Warsaw Poland. Queen's University Belfast Belfast Ireland. Universiteit Leiden Leiden The Netherlands. Institute of Psychology Jagiellonian University Krakow Poland. Department of Psychology Lucian Blaga University of Sibiu Sibiu Romania. Carol Davila University of Medicine and Pharmacy Bucharest Romania. National Research University Higher School of Economics Moscow Russia. Institute of Psychology Faculty of Arts University of Presov Presov Slovakia. Institute of Social Sciences CSPS Sl

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New shifting method for job shop scheduling subject to invariant constraints of resources availability

New shifting method for job shop scheduling subject to invar...

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Annual Conference of Industrial Electronics Society

作者： A. Yahyaoui N. Fnaiech F. Fnaiech Research team in Signal Image and Intelligent Control of Industrial Process: SICISI ESSTT Tunis Tunisia Innovating Technologies Laboratory of Innovation Technologies (LTI-UPRES EA3899) Electrical Power Engineering Group (EESA University of Picardie Jules Verne Amiens France

In most machines scheduling models we assume that the machines are available all the time. However, in many realistic situations, machines need to be maintained and hence may become unavailable during a certain period. Indeed preventive maintenance (PM) is a vital activity in production workshops in order to eliminate risks associated with machine breakdowns. This paper deals with a heuristic algorithm based on new shifting method for solving the makespan of a nonresumable job shop scheduling problem while the resources are unavailable in some time periods. The starting times and durations of these availabilities are known in advance and fixed. The proposed method has been successfully tested on some experimental benchmarks and it is concluded that the idea can allows a satisfactory resolution of relatively important problem in a reasonable time and can be tested even to n-dimensional problems as well.

关键词： Job shop scheduling Availability Preventive maintenance Electric breakdown Costs Production Scheduling algorithm Single machine scheduling Laboratories Testing

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A neural network controls the galvannealing process

A neural network controls the galvannealing process

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Conference Record of the IEEE Industry Applications Society Annual Meeting (IAS)

作者： C. Schiefer F.X. Rubenzucker H.P. Jorgl H. Aberl Laboratory for Intelligent Control Methods for Process Technologies Institute for Machine and Process Automation Vienna University슠of슠Technology Vienna Austria Electrical Engineering and Process Control Research and DevelopmentDepartment TAW Voest-Alpine Industrieanlagenbau GmbH Linz Austria

High quality galvanized steel strip is a need of today's manufacturers of various products. In particular, in the top quality section steel strips for the automotive, building and consumer goods industries only those steel producers will be successful who are applying state-of-the-art process technologies. For this reason, VOEST-ALPINE Industrieanlagenbau mbH (VAI) and VOEST-ALPINE Stahl Linz developed a new galvannealing control system to optimize this metallurgical process. As the latest improvement of the galvannealing control strategy, a neural network controller has been developed by VAI in Cooperation with the Vienna University of Technology Christian Doppler laboratory for intelligent control methods for process technologies. The paper describes the galvannealing process as far as it is necessary for the understanding of the controller functions, the controller structure and its essential functions. Furthermore, the neural network structure used and its integration into the controller system are explained. A discussion of simulation and practical operating results shows the improvements achieved by using a neural network controller in comparison to the conventional controller.

关键词： Neural networks process control Steel Strips Electrical equipment industry Manufacturing industries Metals industry control systems Galvanizing Automotive engineering

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