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Leflunomide: A versatile additive for defect reduction, enhanced optoelectronic properties and environmental stability of perovskite films

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Nano Research 2024年第4期17卷 2628-2637页

作者： Dingyue Sun Ming Peng Taijin Wang Longju Yi Shizuo Zhang Feng Liu Gary J.Cheng The institute of Technological Sciences Wuhan UniversityWuhan 430072China School of Power and Mechanical Engineering Wuhan UniversityWuhan 430072China School of industrial Engineering Purdue UniversityWest LafayetteIN 47906USA

The development of perovskite photoelectric devices with excellent performance is largely dependent on the defects in the perovskite films.To address this issue,a specific drug,leflunomide(LF,C_(12)H_(9)F_(3)N_(2)O_(2)),was incorporated into the perovskite to reduce defects and improve its photoelectric properties.It is believed that the C=O bond on LF molecule can interact with the uncoordinated Pb2+of the perovskite,thereby reducing non-radiative recombination.This novel approach of incorporating LF into perovskite films has the potential to revolutionize the development of high-performance perovskite photoelectric devices.The trifluoromethyl functional(–CF_(3))group on LF can form a protective layer on the surface of the perovskite film,shielding it from water erosion.Moreover,LF can be utilized to alter the nucleation position of perovskite,thus minimizing the number of defects and optimizing the film quality.Consequently,the LF-doped perovskite film displays low trap density and high photoelectric performance.The LF-doped perovskite film showed a trap density of 8.28×10^(11),which is notably lower than the 2.04×10^(12) of the perovskite film without LF.The responsivity and detectivity of the LF-doped perovskite photodetector were 0.771 A/W and 2.81×10^(11) Jones,respectively,which are much higher than the 0.23 A/W and 1.06×10^(10) Jones of the LF-undoped perovskite photodetector.Meanwhile,the LF-doped photodetector maintained an initial photocurrent of 86%after 30 days of storage in air,indicating drastically increased environmental stability.This strongly suggests that LF is an effective additive for perovskites utilized in optoelectronic devices with high performance.

关键词： leflunomide additive engineering defect passivation perovskite

Bioactive compounds in Hericium erinaceus and their biological properties:a review

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Food Science and Human Wellness 2024年第4期13卷 1825-1844页

作者： Yue Qiu Genglan Lin Weiming Liu Fuming Zhang Robert J.Linhardt Xingli Wang Anqiang Zhang College of Food Science and Engineering Zhejiang University of TechnologyHangzhou 310014China Zhejiang Biosan Biotech Co. Ltd.Hangzhou 310052China Department of Chemical and Biological Engineering Center for Biotechnology and Interdisciplinary StudiesRensselaer Polytechnic InstituteTroyNY 12180USA Departments of Chemistry and Chemical Biology and Biomedical Engineering Biological ScienceCenter for Biotechnology and Interdisciplinary StudiesRensselaer Polytechnic InstituteTroyNY 12180USA

Hericium erinaceus is a nutritious edible and medicinal fungi,rich in a variety of functional active ingredients,with various physiological functions such as antioxidation,anticancer,and enhancing immunity.It is also effective in protecting the digestive system and preventing neurodegenerative diseases.In this review paper,we summarize the sources,structures and efficacies of the main active components in H.erinaceus fruiting body,mycelium,and culture media,and update the latest research progress on their biological activities and the related molecular mechanisms.Based on this information,we provide detailed challenges in current research,industrialization and information on the active ingredients of H.erinaceus.Perspectives for future studies and new applications of H.erinaceus are proposed.

关键词： Hericium erinaceus Bioactive compounds Biological activities Antioxidation Neuroprotection Immunoregulation

Base editor-mediated large-scale screening of functional mutations in bacteria for industrial phenotypes

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Science China(Life Sciences) 2024年第5期67卷 1051-1060页

作者： Yaomeng Yuan Xihao Liao Shuang Li Xin-Hui Xing Chong Zhang MOE Key Laboratory for industrial Biocatalysis Institute of Biochemical EngineeringDepartment of Chemical EngineeringTsinghua UniversityBeijing 100084China institute of Biopharmaceutical and Health Engineering Tsinghua Shenzhen International Graduate SchoolShenzhen 518055China institute of Biomedical Health Technology and Engineering Shenzhen Bay LaboratoryShenzhen 440300China Center for Synthetic and Systems Biology Tsinghua UniversityBeijing 100084China

Base editing,the targeted introduction of point mutations into cellular DNA,holds promise for improving genome-scale functional genome screening to single-nucleotide resolution.Current efforts in prokaryotes,however,remain confined to loss-of-function screens using the premature stop codons-mediated gene inactivation library,which falls far short of fully releasing the potential of base editors.Here,we developed a base editor-mediated functional single nucleotide variant screening pipeline in Escherichia coli.We constructed a library with 31,123 sgRNAs targeting 462 stress response-related genes in E.coli,and screened for adaptive mutations under isobutanol and furfural selective conditions.Guided by the screening results,we successfully identified several known and novel functional mutations.Our pipeline might be expanded to the optimization of other phenotypes or the strain engineering in other microorganisms.

关键词： base editor high-throughput large-scale screening Escherichia coli functional mutation

A proteomic landscape of pharmacologic perturbations for functional relevance

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Journal of Pharmaceutical Analysis 2024年第1期14卷 128-139页

作者： Zhiwei Liu Shangwen Jiang Bingbing Hao Shuyu Xie Yingluo Liu Yuqi Huang Heng Xu Cheng Luo Min Huang Minjia Tan Jun-Yu Xu State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai201203China School of Chinese Materia Medica Nanjing University of Chinese MedicineNanjing210023China Zhongshan institute for Drug Discovery Shanghai Institute of Materia MedicaChinese Academy of SciencesZhongshanGuangdong528400China State Key Laboratory of Pharmaceutical biotechnology Nanjing UniversityNanjing210023China

Pharmacological perturbation studies based on protein-level signatures are fundamental for drug discovery. In the present study, we used a mass spectrometry (MS)-based proteomic platform to profile the whole proteome of the breast cancer MCF7 cell line under stress induced by 78 bioactive compounds. The integrated analysis of perturbed signal abundance revealed the connectivity between phenotypic behaviors and molecular features in cancer cells. Our data showed functional relevance in exploring the novel pharmacological activity of phenolic xanthohumol, as well as the noncanonical targets of clinically approved tamoxifen, lovastatin, and their derivatives. Furthermore, the rational design of synergistic inhibition using a combination of histone methyltransferase and topoisomerase was identified based on their complementary drug fingerprints. This study provides rich resources for the proteomic landscape of drug responses for precision therapeutic medicine.

关键词： Proteomics Drug Perturbation Drug target Drug combination

Enhanced extracellular production of alpha-lactalbumin from Bacillus subtilis through signal peptide and promoter screening

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Food Science and Human Wellness 2024年第4期13卷 2310-2316页

作者： Yuqi Zhu Pengdong Sun Chunjian Li Yu Zhang Yu Wang Jingyuan Li Yanfeng Liu Jian Chen Yang Deng College of Food Science and Engineering Qingdao Agricultural UniversityQingdao 266109China Key Laboratory of Special Food Processing(Co-construction by Ministry and Province) Ministry of Agriculture Rural AffairsQingdao Agricultural UniversityQingdao 266109China Qingdao Special Food Research institute Qingdao 266109China Science Center for Future Foods Engineering Research Center of Ministry of Education on Food Synthetic BiotechnologyJiangsu Province Engineering Research Center of Food Synthetic BiotechnologyJiangnan UniversityWuxi 214122China Key Laboratory of Carbohydrate Chemistry and biotechnology Ministry of EducationSchool of BiotechnologyJiangnan UniversityWuxi 214122China

Alpha-lactalbumin(α-LA)is a major whey protein found in breast milk and plays a crucial role in the growth and development of infants.In this study,Bacillus subtilis RIK1285 harboring AprE signal peptide(SP)was selected as the original strain for the production ofα-LA.It was found thatα-LA was identified in the pellet after ultrasonic disruption and centrifugation instead of in the fermentation supernatant.The original strain most likely only producedα-LA intracellular,but not extracellular.To improve the expression and secretion ofα-LA in RIK1285,a library of 173 homologous SPs from the B.subtilis 168 genome was fused with target LALBA gene in the pBE-S vector and expressed extracellularly in RIK1285.SP YjcN was determined to be the best signal peptide.Bands in supernatant were observed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and purified by nickel column to calculate the highest yield signal peptide.In addition,different promoters(P_(aprE),P_(43),and P_(glv))were compared and applied.The results indicated that the strain RIK1285-pBE-P_(glv)-YjcN-LALBA had the highestα-LA yield,reaching 122.04μg/mL.This study demonstrates successful expression and secretion of humanα-LA in B.subtilis and establishes a foundation for simulating breast milk for infant formulas and developing bioengineered milk.

关键词： Bacillus subtilis Alpha-lactalbumin Bioengineering milk Signal peptide Promoter screening

通过羧甲基纤维素和硅氧烷的协同作用提升锂离子电池干法正极的循环稳定性

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Science China Materials 2024年第1期67卷 76-84页

作者：倪铭韩赵阳许诺孔萌昕马延风李晨曦张洪涛陈永胜 The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials Institute of Polymer ChemistryCollege of ChemistryNankai UniversityTianjin 300071China State Key Laboratory of Elemento-Organic Chemistry Nankai UniversityTianjin 300071China Renewable Energy Conversion and Storage Center(RECAST) Nankai UniversityTianjin 300071China tianjin Plan Nano Co. LtdTianjin 300071China

近年来,无溶剂干法电极制备工艺由于其低成本和低污染等优点在锂电池领域获得了广泛关注.然而,现有干法制备工艺中采用的聚四氟乙烯(PTFE)粘结剂存在粘附力和循环稳定性不足等缺点,限制了其实际工业化应用.我们通过引入羧甲基纤维素(CMC... 详细信息

近年来,无溶剂干法电极制备工艺由于其低成本和低污染等优点在锂电池领域获得了广泛关注.然而,现有干法制备工艺中采用的聚四氟乙烯(PTFE)粘结剂存在粘附力和循环稳定性不足等缺点,限制了其实际工业化应用.我们通过引入羧甲基纤维素(CMC)和硅氧烷作为粘结剂复合材料,发展了一种与现有工业化生产兼容的锂离子电池干法电极制备工艺.CMC和硅氧烷的协同作用增强了电极活性材料的粘附性能,实现了干法电极膜片机械强度和电化学性能的大幅提升.基于这种干法电极工艺制备的铝掺杂锰酸锂(LMA/CS)半电池在1 C下循环200圈后展示出79.8%的保持率.进一步地,制备的高负载(20.6 mg cm^(-2))锰酸锂-钛酸锂全电池(LMA/CS||LTO)实现了1000圈的超长稳定循环,容量保持率高达89.2%,超过现有基于PTFE粘结剂干法工艺和传统湿法工艺的电池性能.

关键词：锂离子电池锰酸锂循环稳定性羧甲基纤维素硅氧烷干法工艺粘附性能粘附力

Patent-based technological developments and surfactants application of lithium-ion batteries fire-extinguishing agent

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Journal of Energy Chemistry 2024年第1期88卷 39-63,I0002页

作者： Jianqi Zhang Tao Fan Shuai Yuan Chongye Chang Kuo Wang Ziwei Song Xinming Qian State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100084China industrial Safety Research institute China Academy of Safety Science and TechnologyBeijing 100012China Fire Engineering Department China People’s Police UniversityLangfang 065000HebeiChina

While newer,more efficient Lithium-ion batteries(LIBs)and extinguishing agents have been developed to reduce the occurrence of thermal runaway accidents,there is still a scarcity of research focused on the application of surfactants in different LIBs extinguishing agents,particularly in terms of patented technologies.The aim of this review paper is to provide an overview of the technological progress of LIBs and LIBs extinguishing agents in terms of patents in Korea,Japan,Europe,the United States,China,etc.The initial part of this review paper is sort out LIBs technology development in different regions.In addition,to compare LIBs extinguishing agent progress and challenges of liquid,solid,combination of multiple,and microencapsulated.The subsequent section of this review focuses on an in-depth analysis dedicated to the efficiency and challenges faced by the surfactants corresponding design principles of LIBs extinguishing agents,such as nonionic and anionic surfactants.A total of 451,760 LIBs-related patent and 20 LIBs-fire-extinguishing agent-related patent were included in the analyses.The extinguishing effect,cooling performance,and anti-recombustion on different agents have been highlighted.After a comprehensive comparison of these agents,this review suggests that temperature-sensitive hydrogel extinguishing agent is ideal for the effective control of LIBs fire.The progress and challenges of surfactants have been extensively examined,focusing on key factors such as surface activity,thermal stability,foaming properties,environmental friendliness,and electrical conductivity.Moreover,it is crucial to emphasize that the selection of a suitable surfactant must align with the extinguishing strategy of the extinguishing agent for optimal firefighting effectiveness.

关键词： LIBs Fire-extinguishing agent Surfactants Patent

Inverse design of mechanical metamaterial achieving a prescribedconstitutive curve

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Theoretical & Applied Mechanics Letters 2024年第1期14卷 16-22页

作者： Zongliang Du Tanghuai Bian Xiaoqiang Ren Yibo Jia Shan Tang Tianchen Cui Xu Guo State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial EquipmentDepartment of Engineering MechanicsDalian University of TechnologyDalian 116023China Ningbo institute of Dalian University of Technology Ningbo 315016China

Besides exhibiting excellent capabilities such as energy absorption,phase-transforming metamaterials offer a vast design space for achieving nonlinear constitutive relations.This is facilitated by switching between different patterns under deformation.However,the related inverse design problem is quite challenging,due to the lack of appropriate mathematical formulation and the convergence issue in the post-buckling analysis of intermediate designs.In this work,periodic unit cells are explicitly described by the moving morphable voids method and effectively analyzed by eliminating the degrees of freedom in void regions.Furthermore,by exploring the Pareto frontiers between error and cost,an inverse design formulation is proposed for unit cells.This formulation aims to achieve a prescribed constitutive curve and is validated through numerical examples and experimental results.The design approach presented here can be extended to the inverse design of other types of mechanical metamaterials with prescribed nonlinear effective properties.

关键词： MetamaterialPattern-transformationConstitutive curveInverse design

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 xenobiotics.AOX-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 agents.Computational 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 liability.In this study,we developed a novel graph neural network called AOMP for predicting AOX-mediated metabolism.AOMP 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 tasks.AOMP significantly outperformed the benchmark methods in both cross-validation and external testing.Using 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 experiments.Furthermore,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