ACS Central Science最新文献_第4页

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-07-23

Suman Mandal, Minh Dang Nguyen, Nikhil Ranjan Jana* and T. Randall Lee*,

引用次数: 0

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-07-23

Shucheng Song, Chenyang Wang, Wenjing Bao, Zhenchuang Xu, Jian Wu, Liang Lin* and Yanchuan Zhao*,

引用次数: 0

Superior Catalytic Selectivity by Merging Carbon-Decorated Pd Species with Zeolite Micropores 碳修饰钯与沸石微孔融合的优越催化选择性

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-19 DOI: 10.1021/acscentsci.5c01175

Hai Wang, and , Feng-Shou Xiao,

引用次数: 0

Photoinduced Immobilization on Two-Dimensional Nano Borophene Spatially Orients Capture Antibody for Highly Sensitive Biological Interactions 光诱导固定化二维纳米硼罗芬空间定向捕获抗体用于高度敏感的生物相互作用

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-17 DOI: 10.1021/acscentsci.5c00474

Satheesh Natarajan, Ketan Dighe, Teresa Aditya, Pranay Saha, David Skrodzki, Purva Gupta, Nivetha Gunaseelan, Shraddha Krishnakumar and Dipanjan Pan*,

{"title":"Photoinduced Immobilization on Two-Dimensional Nano Borophene Spatially Orients Capture Antibody for Highly Sensitive Biological Interactions","authors":"Satheesh Natarajan, Ketan Dighe, Teresa Aditya, Pranay Saha, David Skrodzki, Purva Gupta, Nivetha Gunaseelan, Shraddha Krishnakumar and Dipanjan Pan*, ","doi":"10.1021/acscentsci.5c00474","DOIUrl":"https://doi.org/10.1021/acscentsci.5c00474","url":null,"abstract":"Two-dimensional (2D) nanomaterials are of great interest due to their unique properties and broad biological applications. Among these, borophene, a single-atom-thick boron sheet with a honeycomb structure, exhibits exceptional structural, electronic, and mechanical characteristics, making it a promising candidate for sensing, electronics, and biosensing. In this study, we report on a liquid-phase exfoliation method to synthesize stable borophene nanosheets and introduce a photoinduced immobilization technique to functionalize their surfaces with antibodies. By exploiting borophene’s electron-deficient nature, we enable strong covalent bonding with electron-rich thiol groups in antibodies. UV irradiation cleaves antibody disulfide bonds, generating free thiols that form stable boron–sulfur bonds with borophene, resulting in spatially oriented antibodies that preserve antigen-binding activity. We demonstrate the application of these functionalized nanosheets in a lateral flow immunoassay (LFIA), a key tool in point-of-care diagnostics that is often limited by poor antibody orientation. The developed LFIA detects HMGB-1, a potential endometriosis biomarker, in menstrual effluent with results in 10 min and a limit of detection of 40 pg/mL. This performance surpasses that of conventional LFIAs, showing high sensitivity, specificity, and no cross-reactivity with common blood proteins. This study highlights a novel, reagent-free strategy for functionalizing borophene, enhancing its potential in biosensing applications.A lateral flow assay platform featuring novel 2D borophene nanosheets and photoimmobilized antibodies enables ultrasensitive and rapid detection of endometriosis biomarkers in menstrual blood.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 8","pages":"1492–1511"},"PeriodicalIF":10.4,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acscentsci.5c00474","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144902112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Radiotherapy-Activated Prodrug: Past, Present and Beyond 放射治疗激活前药：过去，现在和未来

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-16 DOI: 10.1021/acscentsci.5c00875

Changlun Wang, Zihang Zhang and Zhibo Liu*,

{"title":"Radiotherapy-Activated Prodrug: Past, Present and Beyond","authors":"Changlun Wang, Zihang Zhang and Zhibo Liu*, ","doi":"10.1021/acscentsci.5c00875","DOIUrl":"https://doi.org/10.1021/acscentsci.5c00875","url":null,"abstract":"Radiotherapy-activated prodrug (RAP) is defined as a type of prodrug that features low toxicity before activation, transforms into an active form upon ionizing radiation exposure, and exhibits targeted therapeutic effects within the irradiated area. In clinical practice, clear evidence demonstrates that the combination of radiotherapy and chemotherapy elicits a significant synergistic antitumor response, thereby enhancing patients’ overall survival rates. As a novel therapeutic modality, RAP has recently emerged as an active area of scientific research. The primary mechanism of RAP involves utilizing the reactive species from water radiolysis under ionizing radiation to trigger controlled cleavage of covalent bonds, enabling the controlled release of active drugs. In this Outlook, we summarize the advancements in the field of RAP, encompassing the types of ionizing radiation, novel chemical structures, and diverse prodrug formats. In addition, we discuss the current challenges and future directions of this promising field.Radiotherapy-activated prodrug (RAP) exploits tumor-localized radicals (e−aq/•OH/H•) generated from water radiolysis during radiotherapy to trigger spatiotemporally controlled drug release.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 8","pages":"1306–1320"},"PeriodicalIF":10.4,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acscentsci.5c00875","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144902111","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Brightening New Horizons: Luminescent Transition Metal Complexes in Optical Imaging and Theranostic Applications 照亮新视野：发光过渡金属配合物在光学成像和治疗中的应用

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-16 DOI: 10.1021/acscentsci.5c00975

Lawrence Cho-Cheung Lee, and , Kenneth Kam-Wing Lo*,

{"title":"Brightening New Horizons: Luminescent Transition Metal Complexes in Optical Imaging and Theranostic Applications","authors":"Lawrence Cho-Cheung Lee,  and , Kenneth Kam-Wing Lo*, ","doi":"10.1021/acscentsci.5c00975","DOIUrl":"https://doi.org/10.1021/acscentsci.5c00975","url":null,"abstract":"Small-molecule fluorescent probes have revolutionized fluorescence imaging in both biological research and clinical applications, allowing the exploration of intricate cellular processes and aiding disease diagnosis and treatment. Advances in the designs of molecular probes have led to the development of fluorescent theranostics that combine therapeutic and diagnostic modalities in a single platform. These dual-functional agents enable simultaneous disease diagnosis, treatment, and monitoring, representing an innovative approach to precision medicine. Luminescent transition metal complexes have emerged as promising alternatives to traditional organic fluorophores for optical imaging and theranostic applications, and they offer distinctive advantages such as high photostability, long emission lifetimes, and efficient generation of reactive oxygen species. In this Outlook, we highlight emerging trends in the designs and applications of luminescent transition metal complexes as optical imaging and theranostic agents, leveraging their unique photophysical and photochemical properties. We also discuss current challenges to the clinical applications of these complexes and outline potential directions to inspire the development of next-generation theranostics for advancing disease management and improving patient care.Luminescent transition metal complexes are emerging as novel optical imaging and theranostic agents, leveraging their unique photophysical and photochemical behavior for disease diagnosis and therapy.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 8","pages":"1289–1305"},"PeriodicalIF":10.4,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acscentsci.5c00975","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144902110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Long Lasting Research on the Atomically Precise Au144(SR)60 Nanocluster 原子精密Au144(SR)60纳米团簇的长期研究

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-14 DOI: 10.1021/acscentsci.5c00988

Rongchao Jin,

引用次数: 0

Dynamically Interacting Protein Networks Provide a Mechanism to Overcome the Enormous Intrinsic Barrier to Orotidine 5′-Monophosphate Decarboxylation 动态相互作用的蛋白质网络提供了一种机制来克服奥罗替丁5 ' -单磷酸脱羧的巨大内在障碍

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-11 DOI: 10.1021/acscentsci.5c00590

Pankaj Dubey, Anish Somani, Jessica Lin, Anthony T. Iavarone and Judith P. Klinman*,

{"title":"Dynamically Interacting Protein Networks Provide a Mechanism to Overcome the Enormous Intrinsic Barrier to Orotidine 5′-Monophosphate Decarboxylation","authors":"Pankaj Dubey, Anish Somani, Jessica Lin, Anthony T. Iavarone and Judith P. Klinman*, ","doi":"10.1021/acscentsci.5c00590","DOIUrl":"https://doi.org/10.1021/acscentsci.5c00590","url":null,"abstract":"Orotidine 5′-monophosphate decarboxylase (OMPDC) is among the most efficient enzymes known, accelerating the decarboxylation of the OMP by ∼17 orders of magnitude, primarily by lowering the enthalpy of activation by ∼28 kcal/mol. Despite this feature, OMPDC from Methanothermobacter thermautotrophicus requires ∼15 kcal/mol of activation energy following ES complex formation. This study applies temperature-dependent hydrogen–deuterium exchange mass spectrometry (TDHDX) to detect site-specific thermal protein networks that channel energy from solvent collisions to the active site. Comparative TDHDX of native OMPDC and a single-site variant (Leu123Ala) that alters the activation enthalpy for catalytic turnover reveals region-specific changes in protein flexibility, connecting local scaffold unfolding enthalpy to the activation barrier of catalysis. The data implicate four spatially resolved, thermally sensitive networks that originate at distinct protein–solvent interfaces and converge near the substrate phosphate-binding region (R203), the ribose-binding region (K42), and a catalytic loop (S127). These networks are proposed to act synergistically to optimize substrate positioning and active site electrostatics for the activated complex formation. The complexity of the identified thermal activation pathways distinguishes Mt-OMPDC from other TIM barrel enzymes previously studied by TDHDX. The findings highlight the essential role of scaffold dynamics in enzyme function with broad implications for designing efficient biocatalysts.This study uncovers multiple thermal energy transfer pathways in OMPDC, highlighting how site-specific protein dynamics facilitate substrate positioning and electrostatics for C−C bond cleavage.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 8","pages":"1377–1390"},"PeriodicalIF":10.4,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acscentsci.5c00590","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144902115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Generative Landscapes and Dynamics to Design Functional Multidomain Artificial Transmembrane Transporters 生成景观和动力学设计功能性多域人工跨膜转运体

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-10 DOI: 10.1021/acscentsci.5c00708

Fernando Montalvillo Ortega, Fariha Hossain, Vladimir V. Volobouev, Gabriele Meloni*, Hedieh Torabifard* and Faruck Morcos*,

{"title":"Generative Landscapes and Dynamics to Design Functional Multidomain Artificial Transmembrane Transporters","authors":"Fernando Montalvillo Ortega, Fariha Hossain, Vladimir V. Volobouev, Gabriele Meloni*, Hedieh Torabifard* and Faruck Morcos*, ","doi":"10.1021/acscentsci.5c00708","DOIUrl":"https://doi.org/10.1021/acscentsci.5c00708","url":null,"abstract":"Design and synthesis of functionally active artificial proteins is challenging, as it requires simultaneous consideration of interconnected factors, such as fold, dynamics, and function. These evolutionary constraints are encoded in protein sequences and can be learned through the latent generative landscape (LGL) framework to predict functional sequences by leveraging evolutionary patterns, enabling exploration of uncharted sequence space. By simulating designed proteins through molecular dynamics (MD), we gain deeper insights into the interdependencies governing structure and dynamics. We present a synergized workflow combining LGL with MD and biochemical characterization, allowing us to explore the sequence space effectively. This approach has been applied to design and characterize two artificial multidomain ATP-driven transmembrane copper transporters, with native-like functionality. This integrative approach proved effective in revealing the intricate relationships between sequence, structure, and function.Synergizing latent generative landscapes and molecular dynamics, we design and validate several artificial multidomain transmembrane transporters in in vitro and in vivo assays.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 8","pages":"1452–1466"},"PeriodicalIF":10.4,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acscentsci.5c00708","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144902114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Carbamate Prodrugs Restrict In Vivo Metabolism and Improve the Pharmacokinetics of Isoniazid 氨基甲酸酯前药限制异烟肼体内代谢，改善其药代动力学

IF 10.4 1区化学

ACS Central Science Pub Date : 2025-07-09 DOI: 10.1021/acscentsci.5c00576

Jishnu Sankar, Manish Kumar Bajpai, Anjali Chauhan, Ravi Maddheshiya, Nidhi Sharma, Aditya Sharma, Yashwant Kumar and Dinesh Mahajan*,

{"title":"Carbamate Prodrugs Restrict In Vivo Metabolism and Improve the Pharmacokinetics of Isoniazid","authors":"Jishnu Sankar, Manish Kumar Bajpai, Anjali Chauhan, Ravi Maddheshiya, Nidhi Sharma, Aditya Sharma, Yashwant Kumar and Dinesh Mahajan*, ","doi":"10.1021/acscentsci.5c00576","DOIUrl":"https://doi.org/10.1021/acscentsci.5c00576","url":null,"abstract":"Isoniazid (INH), an important first-line drug in tuberculosis (TB) treatment, faces significant challenges primarily due to hepatotoxicity and peripheral neuropathy as major side effects. These adverse effects often lead to poor patient compliance and treatment dropouts. The INH’s in vivo metabolism is responsible for these adverse effects. INH’s reactive terminal −NH2 group is involved in its undesired in vivo metabolic transformations. To address this, we designed and synthesized carbamate-based prodrugs of INH by masking the −NH2 group to reduce its metabolic activity. Herein, we report our efforts to develop such prodrugs and their impact on in vivo metabolism and the pharmacokinetic profile of free INH. The ex vivo stability, bioconversion, and in vivo pharmacokinetic profile with detailed metabolite analysis of these prodrugs were determined in mice. The lead prodrug 1d demonstrated enhanced systemic exposure of free INH (1.5-fold, AUC ≈ 3948 ng·h/mL), reduced formation of undesired metabolites, and prolonged half-life (1.3-fold, t1/2 ≈ 0.88 h) compared to naive INH. This prodrug approach represents a promising strategy for safer and more effective TB therapy, with the potential for less frequent dosing and improved patient compliance.Carbamate prodrugs of INH were designed and synthesized to mask its reactive -NH2 group, resulting in reduced metabolism and improved PK profile. Lead 1d showed 1.5x AUC, prolonged t1/2, and potential for safer TB therapy.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 8","pages":"1467–1480"},"PeriodicalIF":10.4,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acscentsci.5c00576","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144902068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0