ACS Omega最新文献

{"title":"High-Performance Spin Field-Effect Transistors with Multicycle Spin Precession in BLG/WSe2/hBN Heterostructures","authors":"Muhammad Asim,&nbsp;, ,&nbsp;Arslan Rehmat,&nbsp;, ,&nbsp;Muhammad Farooq Khan,&nbsp;, ,&nbsp;Sang-Hee Shin,&nbsp;, ,&nbsp;Tae Wan Kim,&nbsp;, and ,&nbsp;Jonghwa Eom*,&nbsp;","doi":"10.1021/acsomega.5c05656","DOIUrl":"https://doi.org/10.1021/acsomega.5c05656","url":null,"abstract":"<p >Spintronics seeks to enhance information processing by harnessing the spin of electrons, offering solutions to the limitations of conventional electronics. A key device in spintronics research is the spin-injected field-effect transistor (spin FET), which incorporates a lateral semiconducting channel and ferromagnetic electrodes. This study presents a high-mobility BLG/WSe₂/hBN spin FET capable of operating from cryogenic to room temperature, demonstrating efficient spin injection, detection, and precession. We investigate spin transport across different transport regimes, revealing coherent spin precession in the ballistic regime and a transition to reduced coherence in the semiballistic and diffusive regimes. By modulating the gate voltage, we achieve precise control over Rashba spin–orbit coupling, which enables tunable spin dynamics in the device. These findings advance the understanding of spin transport in 2D heterostructures and pave the way for developing electrically controlled spintronic devices for future applications in logic, memory, and quantum technologies.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44365–44373"},"PeriodicalIF":4.3,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05656","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195752","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":"How Seasonality May Shape Key Phenolic Compounds of Eugenia punicifolia: A Study Driven by NMR Metabolomics","authors":"Kidney O G Neves,&nbsp;, ,&nbsp;Samuel O Silva,&nbsp;, ,&nbsp;Marinildo S Cruz,&nbsp;, ,&nbsp;Francisco Célio M Chaves,&nbsp;, ,&nbsp;Marcos B Machado,&nbsp;, and ,&nbsp;Alan Diego C Santos*,&nbsp;","doi":"10.1021/acsomega.5c07927","DOIUrl":"https://doi.org/10.1021/acsomega.5c07927","url":null,"abstract":"<p ><i>Eugenia punicifolia</i> DC., a medicinal plant rich in bioactive phenolics, has shown promising results regarding its potential in the prevention of type 2 diabetes. This study investigated the seasonal influence on the chemical profile of leaf extracts (methanol:ethanol:water, 3:1:1) using ¹H NMR spectroscopy and multivariate analysis. Principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) revealed distinct metabolic patterns associated with rainy (Feb-May), dry (Sep-Nov), and transitional (Jan, Jun, Jul, and Dec) periods. The PLS-DA model showed high predictive power (<i>R</i>² &gt; 0.85, <i>Q</i>² &gt; 0.85), identifying quercetin, myricetin, gallic acid, catechin, and epigallocatechin as seasonal markers. Significant correlations were found between metabolite levels and environmental variables, such as temperature, rainfall, and sunlight exposure. These results demonstrate that abiotic factors regulate the biosynthesis of phenolic compounds, reflecting the plant’s adaptive responses. The study offers a scientific basis for optimizing harvest timing and enhances understanding of the ecological and pharmacological potential of <i>E. punicifolia</i>, providing valuable insights into the development of standardized herbal medicines and phytoproducts.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44738–44748"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07927","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195713","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":"Highly Selective Synthesis of ctt-1,5,9-Cyclododecatriene from 1,3-Butadiene via Nitrogen-Ligand-Supported Titanium Catalysts: Experimental Optimization and Mechanistic Insights","authors":"Hongda Jia,&nbsp;, ,&nbsp;Sihuang Huang,&nbsp;, ,&nbsp;Wensi Guo,&nbsp;, ,&nbsp;Jingjiao Liu,&nbsp;, ,&nbsp;Chaojie Gai,&nbsp;, ,&nbsp;Jicheng Yu,&nbsp;, ,&nbsp;Haojie Cao,&nbsp;, and ,&nbsp;Qigu Huang*,&nbsp;","doi":"10.1021/acsomega.5c06983","DOIUrl":"https://doi.org/10.1021/acsomega.5c06983","url":null,"abstract":"<p >Facing global energy and environmental challenges, transportation industries are adopting lightweighting as a key strategy to improve energy efficiency. Nylon12 is a crucial material in lightweight applications. However, 1,5,9-cyclododecatriene (1,5,9-CDT) serves as a key intermediate in its synthesis, and the preparation methods of 1,5,9-CDT currently still suffer from low catalytic activity and insufficient conversion, coupled with a lack of mechanistic studies on macrocyclic formation. To address these challenges, this study focuses on the key synthesis technology of 1,5,9-CDT by designing and preparing four novel nitrogen-ligand-supported transition metal catalysts (Cat.1–Cat.4). Using 1,3-butadiene as the monomer, the effects of the catalyst performance and reaction conditions on the oligomerization process were systematically investigated. These results demonstrate that Cat.2, under optimized conditions (toluene as solvent, catalyst content of 0.2 g/L in polymerization solution, polymerization temperature of 50 °C, and <i>n</i>(Al)/<i>n</i>(Ti) ratio of 50 with sesquiethylaluminum chloride as cocatalyst), achieves a 93% yield of <i>ctt</i>-1,5,9-CDT, verified by ¹H (¹³C) NMR, FT-IR, and GC-MS. Density functional theory (DFT) calculations reveal a thermodynamically controlled reaction pathway, confirming the experimental product as the most stable conformation and elucidating the origin of high selectivity. This work provides a green and efficient catalytic system for 1,5,9-CDT synthesis while enriching the theoretical foundation of macrocyclic compound formation mechanisms. The findings exhibit significant potential for industrial-scale applications.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44608–44619"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06983","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195714","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":"Atomistic Detail of the Formation of WSO and WSeO Janus Monolayers and Their Role for Cation Selection: Toward Effective Materials for Environmental Remediation","authors":"Jonathan Guerrero-Sanchez*,&nbsp;, ,&nbsp;Dalia M. Muñoz-Pizza,&nbsp;, and ,&nbsp;Do Minh Hoat,&nbsp;","doi":"10.1021/acsomega.5c03270","DOIUrl":"https://doi.org/10.1021/acsomega.5c03270","url":null,"abstract":"<p >Transition metal dichalcogenides (TMDs), in their 2D form, are a family of semiconductors with great versatility and several applications, spanning from environmental, energy, electronics, and even spintronics. This work focuses on WS₂ and WSe₂ monolayers (MLs) and their oxidation process to obtain WSO and WSeO using quantum mechanical calculations. The oxidation occurs in well-ordered thermodynamically viable diagonal patterns. There is also a lattice parameter reduction with a linear behavior when going from WS₂/WSe₂ toward WSO/WSeO; this fact is directly related to the electronegativity of the chalcogen species (Se &gt; S &gt; O). All oxidized structures exhibited bonds with mixed covalent and ionic characteristics, with the W–O bond displaying the stronger ionic character. We tested the capacity of nonoxidized and oxidized monolayers as agents for ion trapping. Pristine WS₂ and WSe₂ monolayers effectively adsorbed Ca, K, Na, and Cl, with the lowest adsorption observed for Mg. In contrast, the Janus monolayers exhibited apparent selectivity toward cations and showed the lowest adsorption energy for the Cl anion under gas-phase conditions. Under aqueous conditions, the same behavior was observed for Ca, Mg, K, and Na, which form chemical bonds with the oxidized substrate while still coordinating with their hydration shells. In contrast, Cl interacts weakly with the surface, as it prefers to interact with its hydration shell. Electron localization function analysis demonstrated the ionic bond formation in the cations, and the noncovalent interaction index isosurfaces clarified the weak van der Waals (vdW) interactions that hold the Cl-surface interaction, being a strong proof that the oxidized part of the Janus WSO and WSeO monolayers evidence cation selection, which points to these 2D materials as potential anodes for water treatment.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43580–43590"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c03270","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195688","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":"Low-Cost and Eco-Friendly Fabrication of Diphenylamine-Based Hyper-Cross-Linked Polymer for Water Softening","authors":"Shahid Nazeer,&nbsp;, ,&nbsp;Rimsha Khalid,&nbsp;, ,&nbsp;Saqlain Raza,&nbsp;, ,&nbsp;Abdulaal Zuhayr Al-Khazaal,&nbsp;, ,&nbsp;Isham Areej,&nbsp;, ,&nbsp;Amin Abid*,&nbsp;, ,&nbsp;Tariq Javed,&nbsp;, and ,&nbsp;Bien Tan,&nbsp;","doi":"10.1021/acsomega.5c01230","DOIUrl":"https://doi.org/10.1021/acsomega.5c01230","url":null,"abstract":"<p >Pure, clean, and safe drinking water availability has become a burning challenge globally, especially considering that many people are consuming hard water, leading to several health concerns. This study focused on developing an efficient, cost-effective, and eco-friendly adsorbent, DPA-HCP, to remove hard water ions and improve water quality for drinking. The synthesis of DPA-HCP utilized an external cross-linking strategy, resulting in a high specific surface area (<i>S</i>_BET) of 611.99 m²/g, indicating a significant number of available adsorption sites. Comprehensive characterization techniques such as Fourier transform infrared (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET), and X-ray diffraction (XRD) were employed for the analysis of the structure, as well as the morphology of the adsorbent. There was a reduction up to 84% in water hardness by DPA-HCP under operating conditions of pH 8, with a contact time of 100 min and an adsorbent concentration of 1.2 g/L. A maximum adsorption capacity of 100.51 mg/g was identified for hard water ions, whereas kinetic analysis reveals that this adsorption process is pseudo-second order (<i>R</i>² = 0.9981), showing that the process is an exothermic and spontaneous process. The experimental data showed a very good fit with the Langmuir isotherm model with an <i>R</i>² value of about 0.984. Thermodynamic analysis gave an enthalpy change (Δ<i>H</i>^o) of −21.52 kJ/mol, an entropy change (Δ<i>S</i>^o) of −59.89 J/mol·K, and a Gibbs free energy change (Δ<i>G</i>^o) of −4.306 kJ/mol. Such results accentuate DPA-HCP as a promising candidate for addressing hard-water-related problems, thus providing hope for improving access to safe and clean drinking water all over the globe. Furthermore, its eco-friendliness, easy synthesis, and low cost make it a strong candidate to replace costly adsorbents such as ion-exchange resins.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43462–43477"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c01230","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195677","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":"Purcell Effect in Epsilon-Near-Zero Microcavities","authors":"Ali Panahpour*,&nbsp;, ,&nbsp;Jussi Kelavuori,&nbsp;, and ,&nbsp;Mikko Huttunen,&nbsp;","doi":"10.1021/acsomega.5c07448","DOIUrl":"https://doi.org/10.1021/acsomega.5c07448","url":null,"abstract":"<p >Epsilon-near-zero (ENZ) photonics offers a compelling platform for integrated photonic systems, enabling a range of novel and extraordinary functionalities. However, the practical deployment of ENZ-based devices is constrained by high material losses and severe impedance mismatch, which are detrimental to applications requiring coherent light manipulation and efficient light-matter interaction. To address these challenges, we demonstrate that all-dielectric Bragg-reflection microcavities operated near their cutoff frequency, offer an ultralow-loss platform for enhancing light-matter interaction and exploring emission processes in the ENZ regime. While Bragg cavities are well-established, their potential as ENZ resonant microcavities remains largely unexplored. We investigate the Purcell effect and quality factor in these structures, comparing their performance with those of the perfect-electric-conductor and metallic counterparts. Through analytical derivations based on Fermi’s golden rule and field quantization in lossless dispersive media, we establish scaling laws that distinguish these ENZ cavities from conventional resonators. Frequency domain simulations validate our counterintuitive findings, demonstrating that in all-dielectric ENZ Bragg-reflection microcavities, the Purcell and quality factors scale as <i>L</i>/λ₀ and (<i>L</i>/λ₀)³, respectively, where <i>L</i> is the cavity length and λ₀ is the resonance wavelength. Our results offer key insights into the design of ENZ-based photonic systems, paving the way for enhanced light-matter interactions in nonlinear optics and quantum photonics.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44683–44692"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c07448","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195679","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":"Microwave-Assisted Transesterification of Enriched Crude Glycerol to Glycerol Carbonate: Optimization, Simulation, and Techno-Economic Evaluation","authors":"Phonsan Saetiao,&nbsp;, ,&nbsp;Napaphat Kongrit,&nbsp;, ,&nbsp;Panadda Solod,&nbsp;, ,&nbsp;Suriati Binti Sufian,&nbsp;, and ,&nbsp;Jakkrapong Jitjamnong*,&nbsp;","doi":"10.1021/acsomega.5c06226","DOIUrl":"https://doi.org/10.1021/acsomega.5c06226","url":null,"abstract":"<p >This research presents a novel approach to create glycerol carbonate (GC) from refined crude glycerol through microwave-assisted transesterification. It integrates experimental enhancement with techno-economic and ecological assessments. The refining procedure raised the glycerol content from 40.56 wt % to 98.83 wt %, ensuring a high-quality input. Response surface methodology (RSM) was used to aid optimization of the reaction conditions. The best conditions were a 6.5 wt % catalyst concentration, 2.74:1 dimethyl carbonate:glycerol molar ratio, a reaction temperature of 78.36 °C, and a reaction duration of 36.5 min, which gave a 73.65% yield of GC. Experimental data matched the model estimates under these settings, validating the RSM dependability. The activation energy was calculated as 54.57 kJ/mol. A techno-economic assessment, performed using the Aspen Plus V11 software, revealed that the process is a viable investment possibility, with a net present value of $31.23 million, an internal rate of return of 27.96%, and a payback duration of 4.11 years. A sensitivity assessment revealed that the GC selling price considerably affected the profit and that the CO₂ releases tied to GC creation totaled 2.11 kg CO₂ per kg of GC. Catalyst reuse tests over three cycles exhibited a sound steadiness, with only a 10% efficiency reduction. These outcomes display a scalable, lasting path to GC output, accentuating industrial practicality besides economic strength.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44398–44414"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06226","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195702","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 Caffeine Extraction Using Hydrophobic Deep Eutectic Solvents: Experimental and Theoretical Approaches","authors":"Khatereh A. Pishro,&nbsp;, ,&nbsp;Leandro S. Silva,&nbsp;, ,&nbsp;Rafaela S. Lamarca,&nbsp;, ,&nbsp;Clarice D. B. Amaral,&nbsp;, and ,&nbsp;Mario H. Gonzalez*,&nbsp;","doi":"10.1021/acsomega.5c05673","DOIUrl":"https://doi.org/10.1021/acsomega.5c05673","url":null,"abstract":"<p >Hydrophobic deep eutectic solvents (HDESs) are emerging as sustainable, biodegradable, and nontoxic alternatives to traditional organic solvents in liquid–liquid extraction processes. This study investigates the use of HDESs, specifically eutectic mixtures of <span>dl</span>-menthol combined with acetic or hexanoic acids, for extracting caffeine from coffee beans (CB), coffee skin (CS), and guaraná drink (GD). Solvent screening using COSMO-RS modeling was performed to identify effective HDES systems. Caffeine detection employed UV/vis spectrophotometry at 274 nm (<span>dl</span>-menthol/acetic acid system) and 284 nm (<span>dl</span>-menthol/hexanoic acid system), with application of Gaussian fitting to minimize spectral interferences. The optimal extraction conditions were determined to be 65 °C and a 1:1 initial solution to solvent (L/L) ratio. Under these conditions, the <span>dl</span>-menthol/acetic acid solvent extracted 0.765 ± 0.007 mg of caffeine per 100 mg of coffee beans, outperforming the <span>dl</span>-menthol/hexanoic acid solvent, which extracted 0.610 ± 0.010 mg. Comparable results were observed for the other matrices, with 0.66 ± 0.01 mg caffeine per 400 mg of coffee skin and 0.57 ± 0.01 mg per 10 mL of guaraná drink. The method presented high precision, with a standard deviation of ±0.0826 mg L^–1 for five measurements of a 15 mg L^–1 caffeine solution, and detection and quantification limits of 0.674 and 2.04 mg L^–1, respectively. The sustainability of the method was evaluated using the AGREE (Analytical GREEnness) metric, obtaining a high greenness score of 0.83, exceeding the values for traditional solvents such as dichloromethane and chloroform. These findings demonstrated the potential of HDESs as greener, safer, and more efficient alternatives for caffeine extraction, aligning with green chemistry principles and supported by both experimental and theoretical evaluations.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44218–44233"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c05673","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195711","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":"Supramolecular Efficient Catalysis for Multicomponent Synthesis of Fused Indeno-pyrido[2,3-d]pyrimidines as Staphylococcal Thioredoxin Reductase (SaTrxR) Inhibitor Leads","authors":"Manisha R. Bhosle*,&nbsp;, ,&nbsp;Aarti V. Belambe,&nbsp;, ,&nbsp;Vinay K. Yadav,&nbsp;, ,&nbsp;Arvind S. Bhati,&nbsp;, ,&nbsp;Sanjana S. Talekar,&nbsp;, ,&nbsp;Giribala M. Bondle,&nbsp;, ,&nbsp;Manoj V. Mane,&nbsp;, and ,&nbsp;Sudipta Bhattacharyya,&nbsp;","doi":"10.1021/acsomega.5c01090","DOIUrl":"https://doi.org/10.1021/acsomega.5c01090","url":null,"abstract":"<p >In order to identify potential therapeutic inhibitor leads against staphylococcal thioredoxin reductase (<i>Sa</i>TrxR), a pivotal anti-staphylococcal drug target protein, a multipronged strategy composed of structure-guided drug discovery empowered by synthetic chemistry approaches has been undertaken. In this context, we conducted an efficient, environmentally benign, β-cyclodextrin-catalyzed synthesis of a fascinating class of angularly fused indeno-pyrido[2,3-<i>d</i>]pyrimidines via Knoevenagel condensation and Michael addition reactions of 6-amino uracil and 1,3-indanedione with different kinds of aryl/heteroaryl-substituted aldehydes, in aqueous conditions. All of the reactions proceeded efficiently using aqueous supramolecular β-cyclodextrin as an environmentally friendly solvent system, which was reused up to three cycles. The synthesized fused indeno-pyrido[2,3-<i>d</i>]pyrimidines inhibit <i>Sa</i>TrxR <i>in silico</i> at low to medium micromolar (μM) concentrations. The <i>in silico</i> results were also supported by <i>in vitro</i>-based agar well diffusion assays, followed by ascertainment of the minimum inhibitory concentration of the top three anti-staphylococcal compounds. The plausible structure-based <i>Sa</i>TrxR inhibition mechanism, along with <i>in silico</i> ADMET profiling of the synthesized fused indeno-pyrido[2,3-<i>d</i>]pyrimidines has been presented herein. Additionally, DFT calculations were performed to unravel reactive sites and other molecular interactions.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"43487–43498"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c01090","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195703","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":"Sensitive Detection of Nitrogen-Fixing Soil Bacteria by Impedimetric Immunosensing","authors":"Napolean Bonaparte Thanapaul,&nbsp;, ,&nbsp;Shrijana Bista,&nbsp;, ,&nbsp;Panlada Tittabutr,&nbsp;, ,&nbsp;Vincent Blay,&nbsp;, ,&nbsp;Piyanut Pinyou*,&nbsp;, and ,&nbsp;Montarop Yamabhai*,&nbsp;","doi":"10.1021/acsomega.5c06583","DOIUrl":"https://doi.org/10.1021/acsomega.5c06583","url":null,"abstract":"<p >Rhizobium bacteria convert atmospheric nitrogen into ammonia that leguminous plants can use as a nitrogen source, reducing the need for synthetic nitrogen fertilizers. <i>Bradyrhizobium</i> sp. SUTN9–2 is an effective biofertilizer suitable for legume-rice rotational cropping systems that promotes growth and stress resistance. Deploying this biofertilizer for sustainable agriculture requires a rapid and cost-effective method for monitoring bacterial concentrations in the soil. In this work, we developed and optimized an antibody-based biosensor for the detection of <i>Bradyrhizobium</i> sp. SUTN9–2 via electrochemical impedance spectroscopy (EIS). The immunosensor was fabricated by covalently immobilizing a recombinant antibody specific to SUTN9–2 onto a dithiobis-succinimidyl propionate (DSP) self-assembled monolayer on a gold electrode. The resulting immunosensor effectively captures <i>Bradyrhizobium</i> sp. SUTN9–2 cells are present in samples, leading to changes in electrode impedance. The immunosensor demonstrated excellent specificity, a wide linear detection range of 1 × 10³ to 1 × 10⁷ CFU/mL (<i>R</i>² = 0.992), and a limit of detection approaching the single-cell detection limit. The compatibility of the sensor with a soil sample was also demonstrated. The platform holds great promise for the portable monitoring of soil biofertilizer levels and could also be adapted to other strains of interest.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 38","pages":"44489–44498"},"PeriodicalIF":4.3,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.5c06583","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195712","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}