ACS Publications最新文献

{"title":"Plant-Derived Nanovesicle Enhanced Microribonucleic Acid (MicroRNA) Transfer from Nasal Cavity to the Brain.","authors":"Masakazu Umezawa, Fumiya Suyama, Ken Tachibana, Atsuto Onoda, Ken Takeda","doi":"10.1021/acs.molpharmaceut.5c00931","DOIUrl":"https://doi.org/10.1021/acs.molpharmaceut.5c00931","url":null,"abstract":"<p><p>The nasal-to-brain route for drug delivery is potentially useful for the treatment of brain disorders. Not only chemically modified molecules but also nanosized carrier vesicles, such as cell culture-derived exosomes, as small molecules, could be delivered via this route. The focus of the present study was to evaluate the potential of vesicular plant-derived nanoparticles (PDNPs), which have been identified as multivesicular bodies, for transporting molecules via the nasal-to-brain route. PDNPs were isolated from the edible parts of onion (<i>Allium cepa</i>), cherry tomato (<i>Lycopersicon esculentum</i> <i>var. cerasiforme</i>), Delaware grape (<i>Vitis labrusca</i> \"<i>Delaware</i>\"), and grapefruit (<i>Citrus × paradisi</i>) using commercial kits without ultracentrifugation. Recombinant exogenous microRNA (cel-miR-39) was encapsulated into PDNPs by electroporation. Cel-miR-39-incorporated PDNPs were administered to adult male C57BL/6J mice via intranasal instillation or intravenous injection, and then tissue samples were collected. Cel-miR-39 transportation efficiency was evaluated by quantitative RT-PCR. Intranasal instillation was found to be more effective than intravenous injection for microRNA delivery to the brain. The onion-derived nanoparticle was the most effective transporter of microRNA to the olfactory bulb and caudal brain. The transportation potential and kinetics of other molecules (therapeutic drugs) using onion-derived nanoparticles are of future interest.</p>","PeriodicalId":52,"journal":{"name":"Molecular Pharmaceutics","volume":" ","pages":""},"PeriodicalIF":4.5,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Leveraging Vulnerabilities in Copper Trafficking for Synergistic Antifungal Activity.","authors":"Catherine A Denning-Jannace, Katherine J James, Carlos R Monteagudo, Grace R Sturrock, Amy T R Robison, Francesca A Vaccaro, Sophia A Kuhn, Michael C Fitzgerald, Katherine J Franz","doi":"10.1021/acschembio.5c00525","DOIUrl":"https://doi.org/10.1021/acschembio.5c00525","url":null,"abstract":"<p><p><i>Candida albicans</i> is an opportunistic fungal pathogen that causes millions of infections per year, for which more efficacious treatments are needed. Observations that azole antifungals incite <i>C. albicans</i> to adjust a variety of metal-dependent processes led us to hypothesize that vulnerabilities in metallohomeostasis incurred by drug stress could be leveraged by compounds that interrupt metal trafficking. Here, we show that tetrathiomolybdate (TTM), a copper (Cu) chelator that interferes with Cu trafficking and use, inhibits growth of <i>C. albicans</i> on its own and synergizes with select azoles to enhance antifungal activity. Proteomic and biochemical experiments revealed that TTM causes differential expression and stabilization of proteins involved in fermentation and oxidative stress responses in <i>C. albicans</i>. The synergy between TTM and azoles was found to arise from increased expression and stability of the nitric oxide dioxygenase Yhb1, a response driven by the decreased stability and activity incurred by TTM of CuZn superoxide dismutase 1. Addition of imidazole-based antifungals highjacks this stress response by inhibiting Yhb1. This study highlights the centrality of Cu homeostasis as a regulatory hub connecting energy production, oxidative stress management, and overall cellular fitness in ways that can be pharmacologically manipulated to enhance efficacy of existing antifungal agents.</p>","PeriodicalId":11,"journal":{"name":"ACS Chemical Biology","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery and Evaluation of a Methylpyrazolopyrimidine Antibacterial Active against Methicillin-Resistant <i>Staphylococcus aureus</i>.","authors":"Caitlyn A Thomas, Choon Kim, Amr M El-Araby, Biruk Tesfaye Birhanu, Van T Nguyen, Valerie A Schroeder, Jed F Fisher, Mayland Chang, Shahriar Mobashery","doi":"10.1021/acsinfecdis.5c00685","DOIUrl":"https://doi.org/10.1021/acsinfecdis.5c00685","url":null,"abstract":"<p><p>Methicillin-resistant <i>Staphylococcus aureus</i> (MRSA) is a nefarious human bacterial pathogen classified as a serious threat. MRSA strains are resistant to virtually all β-lactam antibiotics (including penicillins and cephalosporins). A common resistance mechanism to β-lactams is mediated by the function of the <i>bla</i> operon, which encodes a β-lactam sensor/signal transducer protein BlaR, a gene repressor BlaI, and a resistance determinant: a class A β-lactamase (BlaZ) and/or a unique penicillin-binding protein 2a (PBP2a). BlaR is responsible for sensing the presence of β-lactam antibiotics and transducing a signal to its cytoplasmic domain upon binding covalently to the β-lactam. This triggers a series of cytoplasmic events that culminate in full-blown antibiotic resistance. We have used a fluorescence-reporter assay in live <i>S. aureus</i> to screen two NCI compound libraries─natural product and diversity libraries─comprising 1,974 compounds for both antibacterial and antibiotic-potentiation activities. Compound <b>1</b>, <i>N</i>⁴,<i>N</i>⁶<i>-bis</i>(4-bromophenyl)-1-methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine, emerged from these assays as a potentiator of the activity of oxacillin (a second-generation penicillin), while also exhibiting antibacterial activity of its own. The compound binds to the BlaR sensor domain (31 μM) in shutting down the <i>bla</i> operon, and also binds to the structurally related PBP2 and PBP2a, which are both critical targets for cell wall assembly. Scanning electron microscopy documented cell wall damage caused by compound <b>1</b> in combination with oxacillin.</p>","PeriodicalId":17,"journal":{"name":"ACS Infectious Diseases","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Braided Fabric Structure-Based Out-of-Plane Wearable Thermoelectric Generator for Body Heat Energy Harvesting.","authors":"Xiaohui Zhao, Qian Wu, Meiqi Long, Chao Zhi, Lin Hou, Xia Wei","doi":"10.1021/acsami.5c16195","DOIUrl":"https://doi.org/10.1021/acsami.5c16195","url":null,"abstract":"<p><p>Wearable thermoelectric devices exhibit great potential in utilizing the temperature gradient between the human body and the surrounding environment to harvest energy, providing a sustainable and maintenance-free power source for wearable applications. However, traditional two-dimensional (2D) flexible thermoelectric devices are inherently limited by their planar configurations, which restrict them to in-plane heat collection and hinder the effective capture of out-of-plane temperature gradients. This limitation often results in a reduced thermoelectric conversion efficiency in practical wearable applications. To address this issue, a unique braided fabric-based thermoelectric generator (TEG) with superior wearing comfort and mechanical flexibility was designed to harvest out-of-plane temperature gradients in this study. Segmented p- and n-type thermoelectric coatings were applied on the braiding yarn to fabricate thermoelectric legs. The braided fabric bracelet TEG containing 12 p-n pairs could generate a maximal open-circuit of 8.42 mV at a temperature difference of 30 K. This study presents an innovative approach that may facilitate the advancement of TEGs for practical wearable applications.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":" ","pages":""},"PeriodicalIF":8.2,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interfacial Engineering of Amorphous TiO₂ Coatings for Dendrite-Free and Highly Reversible Zinc Metal Anodes.","authors":"Le Gao, Tianyong Zhang, Xiangdong Yang, Xuyang Lu, Xiaolei Wang, Zhao Liang, Jiaoyan Dai, Mingdong Bao, Yingwen Cao, Weiyou Yang, Qing Shi","doi":"10.1021/acsami.5c11555","DOIUrl":"https://doi.org/10.1021/acsami.5c11555","url":null,"abstract":"<p><p>The commercialization of aqueous zinc-ion batteries (AZIBs) is limited by uncontrollable dendrite growth and interfacial side reactions. To tackle this critical issue, we propose a surface engineering strategy involving the deposition of a zincophilic amorphous titanium dioxide (AS-TiO₂) protective layer onto the zinc anode. The resulting Zn@AS-TiO₂ anode demonstrates remarkable electrochemical performance, achieving exceptional cycling stability over 3750 h at 1 mA cm^-2 while maintaining near-ideal Coulombic efficiency (99.5%) and outstanding deposition/stripping reversibility. Mechanistic studies reveal that the enhanced performance primarily stems from the significantly higher binding energy of Zn adsorption on amorphous TiO₂ compared to those on crystalline TiO₂ and bare Zn, which endows the Zn@AS-TiO₂ anode with superior zincophilicity and substantially reduces the Zn²⁺ nucleation overpotential. In addition, the amorphous structure facilitates a more homogeneous electric field distribution at the electrode-electrolyte interface, effectively regulating Zn²⁺ flux and promoting uniform Zn deposition. As a result, dendrite formation is efficiently suppressed even during prolonged cycling. This interface modification strategy, which integrates zincophilic surface engineering with electric field regulation, offers valuable mechanistic insights into dendrite suppression and presents a promising pathway for the development of durable metal anodes in next-generation aqueous energy storage systems.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":" ","pages":""},"PeriodicalIF":8.2,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From Chaos to Control: Advancing Laser-Based Nanomaterial Synthesis through Mechanisms, Materials, and Applications","authors":"Anna R. Ziefuss,&nbsp;, ,&nbsp;Stephan Barcikowski,&nbsp;, and ,&nbsp;Katharine Moore Tibbetts*,&nbsp;","doi":"10.1021/acs.jpcc.5c06365","DOIUrl":"10.1021/acs.jpcc.5c06365","url":null,"abstract":"","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"129 41","pages":"18377–18379"},"PeriodicalIF":3.2,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145295929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Prediction of Methane Adsorption Isotherms in Metal-Organic Frameworks by Neural Networks: Two-Dimensional Energy Gradient Feature and Masked Learning Mechanism.","authors":"Meng-En Dong, Xuanjun Wu, Weiquan Cai","doi":"10.1021/acs.jpcb.5c05384","DOIUrl":"https://doi.org/10.1021/acs.jpcb.5c05384","url":null,"abstract":"<p><p>Metal-organic frameworks (MOFs) have shown great application potential in the field of energy gas storage and separation due to their unique tunable porosity and pore environment. Accurate prediction of the methane adsorption isotherms of MOF materials at different temperatures is crucial for optimizing and designing their methane storage and separation processes. In this work, we proposed a novel multioutput neural network (NN) model for rapidly predicting CH₄ adsorption isotherms in a large number of MOFs at different temperatures. The model can be trained using a masked learning mechanism, with inputs such as two-dimensional energy gradient feature (2D-EGF) descriptors, geometrical property descriptors and chemical information descriptors of MOFs. Initially, the methane adsorption isotherms for 17,644 MOFs materials at various temperatures (278-338 K) were calculated using classical density functional theory (cDFT), and the parameters of the extended Langmuir equation (3P and 4P) were obtained through nonlinear fitting. The entire data set, comprising 64,092 samples, was split into a training set and a test set at a ratio of 8:2 for the purpose of training and validating a neural network model. The model was constructed with multiple outputs, including methane adsorption capacities at 21 pressure points and the parameters of the extended Langmuir equation (3P and 4P). The results show that both the 4P and 3P models achieve the optimal prediction accuracy when the unmasked probability parameter <i>p</i> was set to 0.6. The SHAP values analysis demonstrates that the geometrical features exhibit the most significant impact on the targets at all pressures, except for temperature variation (TK). The models' transferability was evaluated by comparing their prediction accuracy across three additional scenarios: unseen MOFs at the same temperature, seen MOFs at extended temperatures, and experimental MOFs at room temperature. The model can accurately predict the methane adsorption isotherms of unseen hypothetical MOFs under the same temperature conditions. Additionally, the models' predictions of the methane adsorption isotherms for known MOFs at extended temperatures (268 and 358 K) are essentially consistent with the results of cDFT simulations. However, the model still exhibits significant deviations in its prediction of the methane adsorption isotherms in four experimental MOFs at room temperature when compared to the experimental data. The neural network approach is expected to act as a versatile and precise tool for predicting gas adsorption equilibrium data in MOFs, which is crucial for significant gas separation processes.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145297687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Organosolv Fractionation of Kraft Lignin: Unlocking Its Potential as a Multifunctional Active Ingredient in Sunscreens.","authors":"Ying Xu, Shu-Yang Jiang, Shaochao Sun, Xin-Yue Xu, Jialong Wen, Tong-Qi Yuan","doi":"10.1021/acs.biomac.5c01536","DOIUrl":"https://doi.org/10.1021/acs.biomac.5c01536","url":null,"abstract":"<p><p>Lignin, with its aromatic and phenolic-rich structure, exhibits antioxidant, tyrosinase-inhibitory, and UV-protective properties, but the heterogeneity and dark color of kraft lignin hinder cosmetic use. Herein, a sequential ethanol-acetone organosolv fractionation was developed to improve homogeneity, purity, and appearance. Structural features of the fractions were analyzed by FTIR, XPS, and 2D-HSQC NMR techniques. The acetone-soluble lignin from hardwood kraft lignin (H-AS) showed a higher syringyl-to-guaiacyl (S/G) ratio, enriched methoxyl groups, and abundant C-O bonds, leading to superior antioxidant activity, tyrosinase inhibition, and broad-spectrum UV absorption. Incorporation of 5% H-AS into a commercial SPF 15 sunscreen increased its SPF to 33.7, while antioxidant and tyrosinase-inhibitory activities improved by 19 and 46% (IC₅₀-based), respectively. These findings highlight the structure-function relationship of fractionated kraft lignin and demonstrate its potential as a multifunctional active ingredient for sunscreen formulations, providing a new route for high-value utilization in cosmetics.</p>","PeriodicalId":30,"journal":{"name":"Biomacromolecules","volume":" ","pages":""},"PeriodicalIF":5.4,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145297940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Breathable Electrophysiological Sensors Based on Fiber-to-Continuous Network Transformation of Polydimethylsiloxane/Polyacrylonitrile Janus Films.","authors":"Zhaorui Zhang, Hongyun Qiu, Shuai Wen, Yongwei Yang, Xuan Ye, Yahui Zhao, Tongtong Li, Ruipeng Zhang, Shaobo Ji","doi":"10.1021/acsami.5c14696","DOIUrl":"https://doi.org/10.1021/acsami.5c14696","url":null,"abstract":"<p><p>With the rapid development of flexible sensors in healthcare monitoring and human-machine interactions, traditional materials face challenges such as poor breathability and sweat accumulation, resulting in signal distortion and wearing discomfort. Developing breathable sensors is the main solution to address these issues. Here, breathable porous polydimethylsiloxane (pPDMS)/polyacrylonitrile (PAN) films with a Janus structure were fabricated through electrospinning and selective dissolution. The films possessed asymmetric wettability with hydrophilic PAN fiber layers and hydrophobic pPDMS layers, which had a unique rough-surface continuous network structure. These Janus films exhibited excellent breathability and directional water transport, enabling \"breathability\" for the fabricated sensors. Unprecedentedly, the fiber-to-continuous network transformation in pPDMS layers enhanced the surface metal adhesion after gold deposition and significantly improved their conductivity, stability, electrical stretchability, and durability as flexible sensors. When collecting physiological signals, these sensors demonstrated effective sweat-draining and breathability with improved signal stability. This work provides a solution for fabricating porous, breathable PDMS-based films and sensors, expanding material choices for next-generation smart textiles.</p>","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":" ","pages":""},"PeriodicalIF":8.2,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"TEMC-Cas: Accurate Cas Protein Classification via Combined Contrastive Learning and Protein Language Models.","authors":"Xingyu Liao, Yanyan Li, Yingfu Wu, Long Wen, Minghui Jing, Bolin Chen, Xingyi Li, Xuequn Shang","doi":"10.1021/acssynbio.5c00631","DOIUrl":"https://doi.org/10.1021/acssynbio.5c00631","url":null,"abstract":"<p><p>The accurate classification of Cas proteins is crucial for understanding CRISPR-Cas systems and developing genome-editing tools. Here, we present TEMC-Cas, a deep learning framework for accurate classification of Cas proteins that combines a finely tuned ESM protein language model with contrastive learning. Unlike traditional methods that rely on sequence similarity (e.g., BLAST, HMMs) or structural prediction, TEMC-Cas leverages evolutionary-scale modeling to capture distant homology while employing contrastive learning to distinguish closely related subtypes. The framework incorporates LoRA for efficient parameter adaptation and addresses class imbalance through weighted loss functions. TEMC-Cas achieves superior performance in classifying the Cas1-Cas13 families and 17 Cas12 subtypes, demonstrating particular strength in identifying remote homology. This approach provides a robust tool for the discovery of the CRISPR system and expands the toolbox for genome engineering applications. TEMC-Cas is now freely accessible at https://github.com/Xingyu-Liao/TEMC-Cas.</p>","PeriodicalId":26,"journal":{"name":"ACS Synthetic Biology","volume":" ","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}