ACS Omega最新文献

{"title":"In Silico Identification of Chiral Biflavonoids as Dual PI3Kα/mTOR Inhibitors","authors":"Francisca Fernanda Nunes Azevedo,&nbsp;, ,&nbsp;Francisca Joseli Freitas de Sousa,&nbsp;, ,&nbsp;Jonatas Martins Negreiro,&nbsp;, ,&nbsp;Jaqueline Vieira Carletti,&nbsp;, ,&nbsp;Maria Conceição Ferreira Oliveira,&nbsp;, and ,&nbsp;Geancarlo Zanatta*,&nbsp;","doi":"10.1021/acsomega.5c06196","DOIUrl":"https://doi.org/10.1021/acsomega.5c06196","url":null,"abstract":"<p >The PI3K/AKT/mTOR pathway is crucial in regulating key processes in mammalian cells, and impairments of this pathway are associated with cell survival in several cancer types. PI3Kα is the second most mutated oncogenic protein, and its overactivation initiates a secondary signaling cascade that enhances, among others, the activity of mTOR complexes 1 and 2. Despite the importance of this pathway, there is a gap in identifying dual inhibitors targeting both PI3Kα and mTOR, which could potentially overcome the limitations of single-target therapies. In this study, advanced computational tools were employed to identify plant-derived compounds with selective or dual inhibitory potentials against PI3Kα and mTOR enzymes. Compounds were obtained from the NuBBe database, a catalogue of Brazilian natural compounds. Among the 1745 compounds docked against the PI3Kα and mTOR enzymes, four bioflavonoids (2–5) displaying atropisomerism stood out. These compounds were further investigated for their binding profile into the catalytic sites of PI3Kα and mTOR, considering the influence of their sense of chirality (<i>Ra</i> and <i>Sa</i> enantiomers). The results indicate that compound 2 had no enantiopreference for PI3Kα, while (<i>Sa</i>)-2 preferentially bound to mTOR. Compound 3 bound to mTOR in both configurations, while only (<i>Ra</i>)-3 bound to PI3Kα. Compound 4 showed no enantiomeric preference for either protein, whereas compounds (<i>Ra</i>)-5 bound to PI3Kα and (<i>Sa</i>)-5 bound to mTOR. Altogether, these findings highlight the potential of four novel bioflavonoid compounds exhibiting a sense of chirality as promising candidates for the rational design of new cancer therapeutics targeting PI3Kα and mTOR. These insights provide a robust foundation for developing potent dual inhibitors, offering new avenues for treating diseases associated with the hyperactivation of these enzymes. Furthermore, this research underscores the value of plant-derived natural products in developing effective therapeutic agents, contributing significantly to the field of medicinal plant research and advancing the frontier of medicinal chemistry.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44344–44355"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06196","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195697","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":"High-Efficiency Silver Recovery from End-of-Life Photovoltaic Modules via Hydrodynamically Optimized Electrowinning","authors":"Seyeon Cho,&nbsp;, ,&nbsp;Junkee Kim,&nbsp;, ,&nbsp;Se Yong Park,&nbsp;, ,&nbsp;Hae-Seok Lee,&nbsp;, ,&nbsp;Suhwan Kim*,&nbsp;, and ,&nbsp;Jongsung Park*,&nbsp;","doi":"10.1021/acsomega.5c05897","DOIUrl":"https://doi.org/10.1021/acsomega.5c05897","url":null,"abstract":"<p >The proliferation of photovoltaic (PV) installations necessitates sustainable methods for managing end-of-life modules. This study addresses the environmental drawbacks of traditional hydrometallurgical recycling, such as the use of hazardous chemicals and high CO₂ emissions, by developing a novel electrowinning process for silver (Ag) recovery. We introduce an optimized system that synergistically combines a hemispherical stainless-steel cathode, which also serves as the reaction vessel, with magnetically induced forced convection to overcome mass transport limitations. This streamlined technique directly extracts Ag from a nitric acid–based leachate, achieving recovery rates exceeding 99% and a purity of approximately 99.4%. Computational fluid dynamics (CFD) simulations were employed to validate the mechanism, demonstrating that magnetic stirring enhances ion flux to the cathode surface, thereby increasing deposition efficiency. A systematic investigation of process parameters revealed that cathode geometry and stirring speed are critical factors influencing the recovery rate. Compared to conventional chemical deposition methods, the developed process reduces CO₂ emissions by approximately 15%, cuts operational costs by over 65%, and reduces the total processing time by nearly 60%. These findings present a practical, efficient, and more environmentally benign pathway for high-purity metal recovery, contributing significantly to the circular economy for PV materials.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44270–44279"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05897","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195547","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":"Prediction of Friction and Wear Behavior of Ternary Polycarbonate-Poly(Butylene Terephthalate)/Multiwalled Carbon Nanotubes Polymer Nanocomposites Using Feature Engineering Assisted Machine Learning Algorithms","authors":"Mecit Öge*,&nbsp;","doi":"10.1021/acsomega.5c04411","DOIUrl":"https://doi.org/10.1021/acsomega.5c04411","url":null,"abstract":"<p >In the present work, polycarbonate-poly(butylene terephthalate)/multiwalled carbon nanotubes (PC-PBT/MWCNT) nanocomposites were produced via melt-compounding, extrusion, and molding techniques with nanofiller wt. fractions of 0, 1, 3, 5, and 7 wt %. Nanofiller induced microstructural, mechanical and dry sliding wear property changes were evaluated, and coefficients of friction (COF) and specific wear rate (SWR) responses were predicted by employing machine learning (ML) models with and without feature engineering (FE) integration. One wt % nanofiller addition resulted in 52%, 41%, and 119% increase in tensile modulus, flexural modulus, and impact strength of neat samples, respectively. Nanofiller addition also resulted in up to 52% and 41% enhancement in tensile and flexural moduli, and up to 91% and 22% reduction in SWR and COF values. The lowest COF and SWR were recorded as 0.231 for 1 wt % MWCNT under 10 N and 4.48 (×10^–15) m³/Nm for 0.5 wt % MWCNT under 5 N, respectively. Wear data and worn surface analysis results indicate that COF is directly affected by a transfer-film-formation mechanism at the contact interface, whereas SWR is sensitive to a variety of other factors including contact mechanics features. FE-assisted K-Star model demonstrated the highest prediction accuracy (<i>R</i>² = 0.96), whereas the highest accuracy without FE was achieved by Lasso model (<i>R</i>² = 0.87). The improved accuracy of FE-assisted models is ascribed to their higher robustness against inconsistencies in the data sets.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43808–43830"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04411","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195690","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":"Differential Impacts of Perfluorooctanoic Acid (PFOA) on Soil Microbial Communities in Aerobic and Anaerobic Agricultural Soils","authors":"Nusrat Easmin,&nbsp;, ,&nbsp;Parikrama Sapkota,&nbsp;, ,&nbsp;Kelly S. Ramirez,&nbsp;, ,&nbsp;Yasaman Mohammadi,&nbsp;, ,&nbsp;Mahesh Narayan,&nbsp;, and ,&nbsp;Hamidreza Sharifan*,&nbsp;","doi":"10.1021/acsomega.5c06624","DOIUrl":"https://doi.org/10.1021/acsomega.5c06624","url":null,"abstract":"<p >Perfluorooctanoic acid (PFOA) is a persistent environmental contaminant with the potential to disrupt soil-plant systems. This study investigated the impacts of PFOA on soil microbial viability and community composition under aerobic and anaerobic conditions, to understand microbial resilience and adaptability to pollutant stress. Soil samples from an uncontaminated agricultural field (2.26 ng/g) were amended with varying PFOA concentrations (0, 40, 60, 80, and 100 mg/kg) and incubated under controlled conditions for 7 days. Microbial viability was assessed through colony-forming unit (cfu) counts, while community composition was characterized via 16S rRNA gene sequencing. Results showed a significant decline (8–79%) in microbial viability at higher PFOA concentrations across both environments, with anaerobic soils exhibiting greater sensitivity, underscoring the role of oxygen availability in microbial pollutant tolerance. Taxonomic analysis revealed concentration-dependent shifts, with Actinobacteria and Proteobacteria dominating under aerobic conditions, and Chloroflexi, Bacteroidetes, and Acidobacteria prevailing under anaerobic conditions. The novelty of this study lies in its systematic comparison of microbial community responses and adaptive mechanisms under both aerobic and anaerobic soil conditions, providing critical insights into the differential impacts of PFOA that have previously not been explored.The findings highlight the ecological significance of resilient taxa in sustaining carbon and nutrient turnover in contaminated soils.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44541–44548"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06624","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195704","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":"Advanced Microstructured BaTiO3-Embedded PVDF–HFP/PEO Film for Enhanced Triboelectric Interface in Self-Sufficient Energy Generation and Sensing","authors":"Rigobert Ybarra,&nbsp;, ,&nbsp;Diego de Leon,&nbsp;, ,&nbsp;Michael Moreno,&nbsp;, ,&nbsp;Cesar Sanchez,&nbsp;, ,&nbsp;Fernando Viesca,&nbsp;, ,&nbsp;Kevin Alejandro,&nbsp;, ,&nbsp;Shishir Timilsena,&nbsp;, ,&nbsp;Nicholas Dimakis,&nbsp;, ,&nbsp;Joseph Henry Dumont,&nbsp;, ,&nbsp;Tommy Rockward,&nbsp;, ,&nbsp;Tarik J. Dickens,&nbsp;, ,&nbsp;Md. Wasikur Rahman,&nbsp;, and ,&nbsp;Mohammed Jasim Uddin*,&nbsp;","doi":"10.1021/acsomega.5c01183","DOIUrl":"https://doi.org/10.1021/acsomega.5c01183","url":null,"abstract":"<p >The global reliance on fossil fuels and natural gas has largely dominated the energy production field, but due to finite resource depletion and escalating greenhouse gas emissions, the immediate exploration of sustainable energy alternatives to mitigate climate change and ensure resource security has been a major concern. There has been extensive research into other more renewable methods of energy production, such as wind and hydropower. Of these current energy generation types, there are many areas of untapped potential from the mechanical movements generated ambiently not only in the large scale of power generation but also on a smaller scale. The piezoelectric and triboelectric effects are phenomena where these ambient mechanical movements can generate electrical energy. Developing a hybrid system that leverages both mechanical stress and surface charges presents an ideal opportunity to exploit these untapped energy sources. Producing a hybrid PVDF–HFP/PEO film with perovskite BaTiO₃ (BTO) enables ambient power harvesting from both mechanical movement and surface charge. The optimized cell produced a potential of up to 15 V and a current of 200 nA with a 68 kΩ resistor, a substantial increase from a base system with an average of 2.1 V and 40 nA. These hybrid TENGs offer significant potential for energy harvesting in small-scale applications, such as health monitoring devices and indicators in electric circuits.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43450–43461"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c01183","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195709","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":"Improved Syntheses, Crystal Structures Analysis, DFT Calculation, Anticancer and Antibacterial Properties of Some 4-(Benzylamino)benzoic Acid Derivatives","authors":"Ahmed K. Hijazi*,&nbsp;, ,&nbsp;Qusai M. Sarayrah,&nbsp;, ,&nbsp;Abdelrahman W. Malkawi,&nbsp;, ,&nbsp;Hassan Abul-Futouh,&nbsp;, ,&nbsp;Ziyad A. Taha,&nbsp;, ,&nbsp;Deeb Taher,&nbsp;, ,&nbsp;Osama H. Abusara,&nbsp;, ,&nbsp;Ahmad Q. Daraosheh,&nbsp;, ,&nbsp;Ahmad A. L. Ahmad,&nbsp;, and ,&nbsp;Waleed M. Al-Momani,&nbsp;","doi":"10.1021/acsomega.5c03898","DOIUrl":"https://doi.org/10.1021/acsomega.5c03898","url":null,"abstract":"<p >A series of 4-(benzylamino)benzoic acid derivatives ArCH₂NH-4-C₆H₄CO₂H (<b>1–19</b>) (Ar = C₆H₅ (<b>1</b>); 4–Cl–C₆H₄ (<b>2</b>); 4-NMe-C₆H₄ (<b>3</b>); 4–Br–C₆H₄ (<b>4</b>); 3-NO₂–C₆H₄ (<b>5</b>); 4-NO₂–C₆H₄ (<b>6</b>); 2-OMe-C₆H₄ (<b>7</b>); 3-OMe-C₆H₄ (<b>8</b>); 4-OMe-C₆H₄ (<b>9</b>); 2,3-OMe-C₆H₃ (<b>10</b>); 3,4-OMe-C₆H₃ (<b>11</b>); 2-OH, 3-OMe-C₆H₃ (<b>12</b>); 3-OMe, 4-OH-C₆H₃ (<b>13</b>); 3,5-OMe, 4-OH-C₆H₄ (<b>14</b>); 2-OH-5–Br–C₆H₃ (<b>15</b>), 3-OH-C₆H₄ (<b>16</b>); 4-SMe-C₆H₄ (<b>17</b>); 2,3-OH-C₆H₃ (<b>18</b>); 3-CF₃–C₆H₄ (<b>19</b>)) were synthesized via reductive amination of <i>p</i>-aminobenzoic acid with substituted benzaldehydes and sodium borohydride. The structures were confirmed by MS, FT-IR, NMR, and E.A., with single-crystal X-ray diffraction elucidating key intermolecular interactions in compounds <b>2</b>, <b>4</b>, <b>7</b>–<b>9</b> and <b>11</b>. Hirshfeld surface analysis and 2D fingerprint plots highlighted noncovalent interactions contributing to crystal packing. DFT calculations (PBE0/def2-TZVP/CPCM) provided optimized geometries, HOMO–LUMO gaps, and electrostatic surface potentials. TD-DFT simulations supported experimental UV–vis spectra. Several derivatives (<b>2</b>, <b>3</b>, <b>5</b>, <b>7</b>, <b>8</b>, <b>10</b>, <b>11</b>, <b>13–16</b>) showed moderate antibacterial activity (MIC = 64–128 μg/mL) against different strains of bacteria, while compound <b>18</b> exhibited promising anticancer activity with IC₅₀ values of 90.69 μM against Non-Small Cell Lung Cancer cell line (A549) and 32.22 μM against Small Cell Lung Cancer cell line (H69).</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43719–43734"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c03898","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195569","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":"Optical Fiber Sensor with Dynamically Responsive Cladding for Real-Time Breath Pattern Monitoring","authors":"Pillalamarri Srikrishnarka,&nbsp;, ,&nbsp;Jani Patrakka,&nbsp;, ,&nbsp;Zhipei Sun,&nbsp;, and ,&nbsp; Nonappa*,&nbsp;","doi":"10.1021/acsomega.5c06598","DOIUrl":"https://doi.org/10.1021/acsomega.5c06598","url":null,"abstract":"<p >Rapid and real-time monitoring of humidity changes is critical, as they impact human health, material storage, and stability, industrial fabrication, microbial transmission, and agriculture. In recent years, optical fiber-based sensors have emerged as promising candidates for monitoring exhaled and inhaled breath humidity to assess respiratory rate, with the goal of supporting clinical diagnosis and patient care. Conventional multimode plastic optical fibers utilize a high refractive index core and lower refractive index cladding for effective total internal reflection (TIR) to achieve waveguiding. In contrast, here, we fabricated an optical fiber-based sensor with a higher refractive index (1.52) biopolymer-based cladding onto a lower refractive index (1.49) poly(methyl methacrylate) (PMMA) core. We demonstrate that the cladding dynamically responds to a rapid humidity change by altering the refractive index and improving the TIR, allowing real-time humidity monitoring. Our results show that the sensitivity was characterized by a second-order polynomial fit, with a sensitivity of 0.18 dB/%RH (in the range of 40–70% RH) and an overall attenuation reduction of 9.4 dB at 70% RH. A proof-of-concept device, by ready integration of a fiber into a miniaturized platform, allowed for rapid and real-time exhaled breath humidity detection and differentiation of nasal and oral breathing patterns with a time resolution of 1.3 s. Notably, the device does not exhibit saturation under high humidity conditions, suggesting the robustness and enormous potential of optical fiber-based humidity sensors for long-term breath humidity monitoring, early detection of abnormal breath patterns, and deployment in next-generation healthcare monitoring.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44528–44540"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06598","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195698","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":"Catalytic Applications of BTC-Based Metal–Organic Frameworks: Synthesis, Properties, and Mechanistic Insights","authors":"Nanthini Rajendran,&nbsp; and ,&nbsp;Sambantham Karthikeyan*,&nbsp;","doi":"10.1021/acsomega.5c04470","DOIUrl":"https://doi.org/10.1021/acsomega.5c04470","url":null,"abstract":"<p >The metal–organic frameworks (MOFs) based on benzoene-1,3,5-tricarboxylate (BTC) have attracted a lot of interest lately because of their catalytic potential and adaptable structural characteristics. Because of their excellent chemical and thermal stability, these MOFs are good choices for catalytic processes in a variety of industries. The distinct coordination geometry of BTC ligands creates strong frameworks with high porosity, wide surface areas, and adjustable pore diameters that facilitate effective guest molecule diffusion. Esterification, oxidation, and hydrogenation reactions are among the organic transformations in which BTC-MOFs have shown exceptional catalytic activity. Their capacity to integrate several metal centers, including as iron, copper, and zinc, improves catalytic efficiency by offering a variety of active sites. BTC-MOFs have also been used in environmental remediation through gas storage, carbon capture, and photocatalytic pollutant degradation.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43327–43362"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c04470","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195722","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":"Study on the Vibration Mechanism of Different Cutting Modes in Shallow Tunnel Excavation under Thermal Explosion Loading","authors":"Xiaolei Bao,&nbsp;, ,&nbsp;Shuo Yao,&nbsp;, ,&nbsp;Weiwei Wang,&nbsp;, ,&nbsp;Qi Wei,&nbsp;, ,&nbsp;Yunqian Kang,&nbsp;, ,&nbsp;YanMeng Wei,&nbsp;, and ,&nbsp;Ziyuan Li*,&nbsp;","doi":"10.1021/acsomega.5c02395","DOIUrl":"https://doi.org/10.1021/acsomega.5c02395","url":null,"abstract":"<p >As urbanization develops, China has become the largest market in urban subway construction. The vibration induced by subway tunnel excavation blasting critically threatens the structural integrity and human safety in overlying buildings. To address this, this study pioneers a comparative experimental analysis of two damping systems under thermal explosion loading in shallow metro tunnels. These two damping systems are large-diameter empty-hole cutting (LDC) and single-stage wedge cutting (SWC), respectively. Crucially, our work demonstrates that LDC reduces peak vibration velocity by 58–59% compared to SWC, directly correlating the cavity size with vibration intensity (PPV is positive correlation with cavity volume). Furthermore, a detailed analysis and explanation of the damping mechanism are also conducted using numerical simulation and classical theory. These findings offer a validated thought for vibration control technology for tunnel blasting. The research results provide a “revolutionizing infrastructure technology” for urban tunnel projects in vibration-sensitive environments under China’s high-quality urban development strategy.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43519–43531"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c02395","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195707","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":"Spontaneous Combustion Hazard Zone in the Goaf and Collaborative Prevention and Control Technique under Dynamic Evolution of Coal Pillar Air Leakage","authors":"Yang Liu,&nbsp;, ,&nbsp;Xuyao Qi*,&nbsp;, ,&nbsp;Yongqin Zhang,&nbsp;, ,&nbsp;Dayong Luo,&nbsp;, and ,&nbsp;Jiangtao Qin,&nbsp;","doi":"10.1021/acsomega.5c07109","DOIUrl":"https://doi.org/10.1021/acsomega.5c07109","url":null,"abstract":"<p >Spontaneous combustion of residual coal in goafs is one of the most severe disasters in coal mines. In China, coal spontaneous combustion (CSC) results in an annual loss of about 20 million tons of coal and the release of pollutants, such as carbon dioxide and suspended particles, severely degrading the environment and triggering frequent secondary disasters. The air leakage behavior of coal pillars, which functions as the supporting structure at the boundary of goaf areas, enhances the risk of a CSC through seepage channels formed by fracture networks. This problem is particularly prominent in the high-ground-stress environment of deep mining. Current research primarily focuses on the mechanical properties of coal pillars, such as stress–strain and reasonable dimensions, as well as sealing materials for coal pillar air leakage, yet there is still a lack of systematic study on the collaborative prevention and control of the coal pillar-goaf system. In view of the above fact, this study investigated the mechanism of coal pillar fragmentation and air leakage and further delineated the CSC hazard zone in the goaf under coal pillar air leakage conditions. The results disclosed that coal pillar air leakage is adjusted dynamically in response to mining activities. Simultaneously, coal pillar air leakage can lead to an expansion of the CSC hazard zone in the goaf and intensify the risk of residual coal ignition. Therefore, based on multifield coupled numerical simulations, a collaborative prevention and control technique combining wind pressure matching and zonal blocking was proposed here. By regulating the dynamic equilibrium between the seepage field in the coal pillar and the oxygen distribution field in the goaf, the area of the CSC hazard zone affected by coal pillar air leakage shrinks by 52.82%. This research can provide new insights into effectively preventing mine fire accidents caused by coal pillar air leakage.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44620–44632"},"PeriodicalIF":4.3,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07109","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195719","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}