ACS Omega最新文献

{"title":"Role of Exosomes in Cardiovascular Disease: A Key Regulator of Intercellular Communication in Cardiomyocytes","authors":"Liuxin Li,&nbsp;Zhidong Zheng,&nbsp;Wenyu Lan,&nbsp;Nan Tang,&nbsp;Deju Zhang,&nbsp;Jitao Ling,&nbsp;Yuting Wu,&nbsp;Pingping Yang,&nbsp;Linhua Fu,&nbsp;Jianping Liu,&nbsp;Jing Zhang,&nbsp;Peng Yu* and Tieqiu Huang*,&nbsp;","doi":"10.1021/acsomega.4c1142310.1021/acsomega.4c11423","DOIUrl":"https://doi.org/10.1021/acsomega.4c11423https://doi.org/10.1021/acsomega.4c11423","url":null,"abstract":"<p >In the cardiovascular system, different types of cardiovascular cells can secrete specific exosomes and participate in the maintenance of cardiovascular function and the occurrence and development of diseases. Exosomes carry biologically active substances such as proteins and nucleic acids from cells of origin and can be used as biomarkers for disease diagnosis and prognosis assessment. In addition, exosome-mediated intercellular communication plays a key role in the occurrence and development of cardiovascular diseases and has become a potential therapeutic target. This article emphasizes the importance of understanding the mechanism of exosomes in cardiovascular diseases and systematically details the current understanding of exosomes as regulators of intercellular communication in cardiomyocytes, providing a basis for future research and therapeutic intervention.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18145–18169 18145–18169"},"PeriodicalIF":3.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c11423","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Understanding the Synthon Preferences in Molecular Ionic Cocrystals of Trimethoprim─An Experimental and Computational Study","authors":"Lamis Alaa Eldin Refat,&nbsp; and ,&nbsp;Andrea Erxleben*,&nbsp;","doi":"10.1021/acsomega.5c0021510.1021/acsomega.5c00215","DOIUrl":"https://doi.org/10.1021/acsomega.5c00215https://doi.org/10.1021/acsomega.5c00215","url":null,"abstract":"<p >Molecular ionic cocrystals (ICCs) are cocrystals of composition A^–BH⁺HA or A^–BH⁺C with charge-assisted hydrogen bonding between A^– and BH⁺ and with HA, B, and C being organic solids at ambient temperature. In contrast to the numerous works on the rational design of ternary A·B·C cocrystals, the application of synthon preferences and hierarchies in the synthesis of molecular ICCs is not widely reported. The antibiotic trimethoprim (tmp) readily forms molecular salts with carboxylic acid coformers including nonsteroidal anti-inflammatory drugs. The carboxylate anion interacts with the protonated N1H⁺/C2-NH₂ site of Htmp⁺ leaving the N3/C4-NH₂ site as a second binding site for potential ICC formation. In this work, we investigated the synthesis of ternary molecular ICCs of tmp. Solution crystallization experiments led to the single crystal structure of Htmp⁺dif^–·H₂fum (dif^– = diflunisal anion; H₂fum = fumaric acid). Hirshfeld surface analysis, molecular electrostatic potential, and site interaction energy calculations were conducted to understand the hydrogen bonding propensity of the N3/C2-NH₂ site in Htmp⁺X^–. Proton transfer from HX to the N1 nitrogen of tmp leads to a decrease in the electrostatic potential of N3 and thus to a reduced hydrogen bond acceptor strength. The data obtained in this study highlight the challenges of developing strategies for the rational synthesis of molecular ICCs of complex molecules.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18709–18719 18709–18719"},"PeriodicalIF":3.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.5c00215","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-Organizing Proteinoid–Actin Networks: Structure and Voltage Dynamics","authors":"Panagiotis Mougkogiannis*,&nbsp; and ,&nbsp;Andrew Adamatzky,&nbsp;","doi":"10.1021/acsomega.5c0114110.1021/acsomega.5c01141","DOIUrl":"https://doi.org/10.1021/acsomega.5c01141https://doi.org/10.1021/acsomega.5c01141","url":null,"abstract":"<p >Proteinoids are thermal proteins produced by heating amino acids to their melting point and initiation of polymerization to produce polymeric chains. Proteinoids swell in aqueous solution forming hollow microspheres, usually filled with aqueous solution. The microspheres produce spikes of electrical potential similar to the action potentials of living neurons. The cytoskeletal protein actin is known in its filamentous form as F-actin. Filaments are organized in a double helix structure consisting of polymerized globular actin monomers. Actin is a protein that is abundantly expressed in all eukaryotic cells and plays a crucial role in cellular functions by forming an intracellular scaffold, actuators, and pathways for information transfer and processing. We produce and study proteinoid-actin networks as physical models of primitive neurons. We look at their structure and electrical dynamics. We use scanning electron microscopy and multichannel electrical recordings to study microsphere assemblies. They have distinct surface features, including ion channel-like pores. The proteinoid–actin mixture exhibits enhanced electrical properties compared to its individual components. Its conductivity (σ = 4.68 × 10^–4 S/cm) is higher than those of both pure actin (σ = 1.23 × 10^–4 S/cm) and pure proteinoid (σ = 2.45 × 10^–4 S/cm). The increased conductivity and new oscillatory patterns suggest a synergy. They indicate a synergy between the proteinoid and actin components in the mixture. Multichannel analysis reveals type I regular spiking in proteinoid networks (Δ<i>V</i> ≈ 50 mV, τ = 52.4 s), type II excitability in actin (<i>V</i>_max ≈ 40 mV), and bistable dynamics in the mixture. These findings suggest that proteinoid–actin complexes can form primitive bioelectrical systems. This might lead to the better understanding of the evolution of the primordial neural system.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18986–19009 18986–19009"},"PeriodicalIF":3.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.5c01141","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the Advanced Optoelectronic Properties of Nd-Doped ZnO Thin Films for Next-Generation Perovskite Solar Cells","authors":"Ghazi Aman Nowsherwan,&nbsp;Muhammad Azhar,&nbsp;Nadia Anwar*,&nbsp;Muqarrab Ahmed,&nbsp;Qasim Ali,&nbsp;Nadia Nowsherwan,&nbsp;Saira Riaz,&nbsp;Shahzad Naseem* and Wen-Cheng Lai*,&nbsp;","doi":"10.1021/acsomega.4c0810810.1021/acsomega.4c08108","DOIUrl":"https://doi.org/10.1021/acsomega.4c08108https://doi.org/10.1021/acsomega.4c08108","url":null,"abstract":"<p >This research provides valuable insights into the effects of neodymium (Nd) doping on the structural, optical, and electrical properties of zinc oxide (ZnO) thin films coated on an ITO substrate. This study deepened our understanding of the unique characteristics and potential applications of these materials by utilizing comprehensive characterization techniques, including X-ray diffraction (XRD), Atomic Force Microscopy (AFM), UV–vis spectroscopy, and photoluminescence spectroscopy. XRD analysis confirmed the presence of hexagonal crystal structures, whereas AFM imaging revealed a distinctive granular configuration. The results indicated that the grain size of the thin films increased from 35.86 to 46.09 nm with increasing Nd doping concentration, demonstrating a relationship between Nd concentration and microstructure. The optical bandgap ranged from 3.29 to 3.21 eV for pure and doped thin films at different DC sputtering powers, and the electrical resistivity decreased from 1.54 × 10^–3 to 0.26 × 10^–3 Ω·cm with Nd doping, suggesting their potential for optoelectronic applications. The study also presents a numerical analysis of Cs₂BiCuI₆-based perovskite photovoltaic cells (PPVCs) incorporating Nd-doped ZnO as the electron transport layer (ETL). This research investigates the impact of different Nd doping concentrations (20, 30, and 40 W) on the performance of solar cells by analyzing key metrics.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18251–18269 18251–18269"},"PeriodicalIF":3.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c08108","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of Soil Salinity on Genetic Diversity and Phylogenetic Relationships in Tetraena Species: Insights from Electrical Conductivity Analysis, Inter-retrotransposon Amplified Polymorphism Markers, and DNA Barcoding","authors":"Sumayah I. Alsanie,&nbsp; and ,&nbsp;Magda Elsayed Abd-Elgawad*,&nbsp;","doi":"10.1021/acsomega.4c1166210.1021/acsomega.4c11662","DOIUrl":"https://doi.org/10.1021/acsomega.4c11662https://doi.org/10.1021/acsomega.4c11662","url":null,"abstract":"<p >Soil salinity is a significant environmental stressor that impacts species distribution, plant development, and genetic diversity. Conservation and ecological management depend on an understanding of how <i>Tetraena</i> species respond to salinity. The genus <i>Tetraena</i>, which includes several species of succulent shrubs native to arid regions, is of significant interest for studying plant adaptation mechanisms. The study aims to evaluate the genetic diversity and ecological characteristics of eight groups of <i>Tetraena</i> species in Saudi Arabia using inter-retrotransposon amplified polymorphism (IRAP) markers, ycf5 and trnH gene sequences, as well as soil pH and electrical conductivity (EC). Soil pH indicated slightly alkaline conditions, while electrical conductivity (EC) ranged from 822 μS/cm in the <i>T. propinqua</i> population at Al Thumama Road (population 8) to 23,800 μS/cm in the <i>T. hamiensis</i> population at Al Jawhara-Dammam Road (population 2). The genetic relationships were determined by analyzing IRAP marker polymorphism, generated using 10 primers. Clustering through principal component analysis and biostatistical methods distinguished the populations of <i>T. propinqua</i> subsp. <i>Migahidii</i> (6, 7, and 8) from the populations of T. hamiensis var. qatarensis (1, 3), (4, 5), and (2). Ten primers had high polymorphism (60.5%) according to IRAP analysis between <i>T. hamiensis</i> and <i>T. propinqua</i>. The evolutionary trees of <i>T. propinqua</i> and <i>T. hamiensis</i> cluster together. Analysis of conserved motifs revealed common motifs that support the use of ycf5 and trnH as barcodes. The genetic diversity and population clustering of <i>T. hamiensis</i> and <i>T. propinqua</i> are influenced by environmental salinity and species-specific genetic adaptations. While <i>T. hamiensis</i> has more differentiation, maybe as a result of historical separation or localized adaptations, <i>T. propinqua</i> exhibits strong genetic similarities. These results demonstrate that common environmental stresses and species-specific characteristics are the main drivers of genetic diversity. Future studies should explore adaptive genetic mechanisms at the molecular level and assess the functional roles of salinity-responsive genes in support conservation efforts.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18629–18640 18629–18640"},"PeriodicalIF":3.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c11662","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"TBACN-Promoted Regioselective Cyanofunctionalization and Benzannulation: Enabling Access to Cyanoindolizine Scaffolds via Alkyne Cyclization","authors":"Sergen Gul,&nbsp;Karina S. I. Amudi,&nbsp;Burak Kuzu and Nurettin Menges*,&nbsp;","doi":"10.1021/acsomega.5c0077510.1021/acsomega.5c00775","DOIUrl":"https://doi.org/10.1021/acsomega.5c00775https://doi.org/10.1021/acsomega.5c00775","url":null,"abstract":"<p >A novel and regioselective cyanofunctionalization–benzannulation cascade reaction has been developed, utilizing tetrabutylammonium cyanide (TBACN) as a practical and efficient cyanide source. This transformation provides streamlined access to a structurally diverse array of cyano-substituted indolizine scaffolds, which are valuable intermediates in the synthesis of nitrogen-containing heterocycles with potential pharmaceutical applications. The methodology employs readily available <i>N</i>-propargyl pyrrole derivatives as starting materials and proceeds under relatively mild reaction conditions, enabling the synthesis of 20 structurally distinct cyanoindolizine derivatives. The reaction exhibits remarkable regioselectivity in the installation of the cyano group, a feature that was not initially anticipated. This unexpected regioselective outcome was elucidated through a combination of control experiments, by-product analysis, and intermediate isolation, shedding light on the underlying mechanistic pathway. Furthermore, the reaction displays a broad substrate scope, demonstrating high functional group tolerance with respect to both electronic and steric variations on the pyrrole ring and the propargyl substituents. The versatility of the methodology is further highlighted by the potential for downstream transformations of the cyano group into other functional groups, such as amide moieties, which expand the synthetic utility of the obtained scaffolds. Importantly, this work represents the first reported example of a TBACN-mediated benzannulation of propargyl units, marking a significant advancement in the field of heterocyclic chemistry. The strategy not only provides a novel route to access complex indolizine frameworks but also offers valuable mechanistic insights and synthetic opportunities for the design and development of biologically relevant heterocycles.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18881–18888 18881–18888"},"PeriodicalIF":3.7,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.5c00775","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Does Extreme Wettability Matter: The Effect of Copper Wettability on Infection Spread through Hospital Surfaces","authors":"Alexandre M. Emelyanenko*,&nbsp;Fadi Sh. Omran,&nbsp;Marina Yu. Chernukha,&nbsp;Lusine R. Avetisyan,&nbsp;Eugenia G. Tselikina,&nbsp;Gleb A. Putsman,&nbsp;Sergey K. Zyryanov,&nbsp;Kirill A. Emelyanenko and Ludmila B. Boinovich*,&nbsp;","doi":"10.1021/acsomega.5c0193110.1021/acsomega.5c01931","DOIUrl":"https://doi.org/10.1021/acsomega.5c01931https://doi.org/10.1021/acsomega.5c01931","url":null,"abstract":"<p >One of the reasons for the widespread occurrence of hospital-acquired infections is the ability of microorganisms to survive for extended periods on the indoor surfaces of healthcare facilities. Although the antibacterial properties of copper are well-known and have already been used in medical practice, there is still a lack of research on how extreme wettability of copper-based materials by biological fluids can affect the reduction of surface contamination and, consequently, the spread of hospital-acquired infections, particularly in healthcare settings. This study aims to compare the efficacy of superhydrophilic and superhydrophobic copper surfaces on high-touch facilities such as elevator buttons with smooth copper and stainless steel surfaces in preventing the transfer of infections through hospital surfaces. It was found that the wettability of frequently touched surfaces like elevator buttons matters for combating bacterial contamination. The total aerobic microbial counts, encompassing both pathogenic and nonpathogenic microbial contamination, were similar across smooth, superhydrophobic, and superhydrophilic copper coatings. At the same time, surfaces with extreme wettability exhibited a lower incidence of <i>Staphylococcus aureus</i> growth, no growth of <i>Acinetobacter spp</i>., and reduced maximum contamination levels for both pathogens and nonpathogenic bacteria. Superhydrophilic buttons treated with the quaternary ammonium compound miramistin showed a reduction in microbial growth during the initial 20 days. The study emphasizes the importance of surface wettability and texture in mitigating microbial contamination.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"19129–19138 19129–19138"},"PeriodicalIF":3.7,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.5c01931","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel 1,3,4-Thiadiazole Derivatives Targeting Both Aldose Reductase and α-Glucosidase for Diabetes Mellitus","authors":"Betül Kaya,&nbsp;Ulviye Acar Çevik*,&nbsp;Adem Necip,&nbsp;Hatice Esra Duran,&nbsp;Bilge Çiftçi,&nbsp;Mesut Işık,&nbsp;Pervin Soyer,&nbsp;Hayrani Eren Bostancı,&nbsp;Zafer Asım Kaplancıklı and Şükrü Beydemir,&nbsp;","doi":"10.1021/acsomega.5c0056610.1021/acsomega.5c00566","DOIUrl":"https://doi.org/10.1021/acsomega.5c00566https://doi.org/10.1021/acsomega.5c00566","url":null,"abstract":"<p >We have developed new 1,3,4-thiadiazole derivatives and examined their ability to inhibit aldose reductase and α-glucosidase. All of the members of the series showed a higher potential of aldose reductase inhibition (<i>K</i>_I: 15.39 ± 1.61–176.50 ± 10.69 nM and IC₅₀: 20.16 ± 1.07–175.40 ± 6.97 nM) compared to the reference inhibitor epalrestat (<i>K</i>_I: 837.70 ± 53.87 nM, IC₅₀: 265.00 ± 2.26 nM). Furthermore, compounds <b>6a</b>, <b>6g</b>, <b>6h</b>, <b>6j</b>, <b>6o</b>, <b>6p</b>, and <b>6q</b> showed significantly higher inhibitory activity (<i>K</i>_I: 4.48 ± 0.25 μM–15.86 ± 0.92 μM and IC₅₀: 4.68 ± 0.23 μM–34.65 ± 1.78 μM) toward α-glucosidase compared to the reference acarbose (<i>K</i>_I: 21.52 ± 2.72 μM, IC₅₀: 132.51 ± 9.86 μM). Molecular docking studies confirmed that the most potent inhibitor of α-GLY, compound <b>6h</b> (<i>K</i>_<i>I</i>: 4.48 ± 0.25 μM), interacts with the target protein 5NN8 through hydrogen bonds as in acarbose. On the other hand, compounds <b>6o</b> (<i>K</i>_I: 15.39 ± 1.61 nM) and <b>6p</b> (<i>K</i>_I: 23.86 ± 2.41 nM), the most potent inhibitors for AR, establish hydrogen bonds with the target protein 4JIR like epalrestat. <i>In silico</i> ADME/T analysis was performed to predict their drug-like properties. A cytotoxicity study was carried out with the L929 fibroblast cell line <i>in vitro</i>, revealing that all of the synthesized compounds were noncytotoxic. Furthermore, AMES test has been added to show the low mutagenic potential of the compounds <b>6h</b> and <b>6o</b>.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18812–18828 18812–18828"},"PeriodicalIF":3.7,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.5c00566","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of a Novel 1,3,4-Oxadiazole Derivative with Piperazine and Phenoxypropanol Functionalities","authors":"Deepak Kumar,&nbsp;Suryakanta Dalai,&nbsp;Girish Chandra Sharma and Mukesh Jangir*,&nbsp;","doi":"10.1021/acsomega.5c0129010.1021/acsomega.5c01290","DOIUrl":"https://doi.org/10.1021/acsomega.5c01290https://doi.org/10.1021/acsomega.5c01290","url":null,"abstract":"<p >Synthesis of novel heterocyclic derivatives of 1-amino-3-(3-(5-((4-phenylpiperazin-1-yl)methyl)-1,3,4-oxadiazol-3-yl)phenoxy)propan-2-ol is focused on specific piperazine and piperidine derivatives of 1,3,4-oxadiazole. These compounds are a distinguished motif for biological studies. An effective piperazine and piperidine derivatives methodology on 1,3,4,-oxadiazole substrates has been developed. This pathway along with good yields and clean reactions has a broad substrate scope. This pathway provides new biologically useful moieties that can further be investigated for their applicability.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"19033–19044 19033–19044"},"PeriodicalIF":3.7,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.5c01290","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the Interfacial Formation between Aqueous Slabs and a Hydrophobic Membrane","authors":"Orhan Kaya*,&nbsp;","doi":"10.1021/acsomega.4c1172610.1021/acsomega.4c11726","DOIUrl":"https://doi.org/10.1021/acsomega.4c11726https://doi.org/10.1021/acsomega.4c11726","url":null,"abstract":"<p >Molecular dynamics simulations were used to study the interfacial formation between pure and saline aqueous slabs and hydrophobic polytetrafluoroethylene (PTFE) surfaces, both porous and nonporous. The simulations revealed that the formation of transient water vapor bridges between the slabs and the hydrophobic surface facilitated initial contact by lowering the energy barrier, ultimately leading to surface adherence. The presence of saline aqueous slabs slowed the contact process and influenced the dynamics of the vapor-phase bridges. Additionally, porous PTFE surfaces accelerated the initial contact of the aqueous slabs and exhibited distinctive ion concentration gradients, particularly at the pore centers, indicating localized salinity. Structural deformations, such as bending and pore contact angles, were quantified, providing new insights into the nano-structural changes during the interactions between the slabs and PTFE surfaces.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 18","pages":"18650–18656 18650–18656"},"PeriodicalIF":3.7,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c11726","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}