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Loratadine Decreases Methicillin-Resistant Staphylococcus aureus Virulence through Global Hemolysin Regulators vraSR and agr 氯雷他定通过全球溶血素调节因子vraSR和agr降低耐甲氧西林金黄色葡萄球菌的毒力
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-05 DOI: 10.1021/acsomega.6c05740
Chase Dillon, Isabel Marshall, Maggy Henkel, Halie Balogh, Robin Stempel, E. Renee Monge, Gabriel Z. Valenzano, Meghan S. Blackledge, Heather B. Miller
{"title":"Loratadine Decreases Methicillin-Resistant Staphylococcus aureus Virulence through Global Hemolysin Regulators vraSR and agr","authors":"Chase Dillon,&nbsp;Isabel Marshall,&nbsp;Maggy Henkel,&nbsp;Halie Balogh,&nbsp;Robin Stempel,&nbsp;E. Renee Monge,&nbsp;Gabriel Z. Valenzano,&nbsp;Meghan S. Blackledge,&nbsp;Heather B. Miller","doi":"10.1021/acsomega.6c05740","DOIUrl":"https://doi.org/10.1021/acsomega.6c05740","url":null,"abstract":"<p>Methicillin-resistant<em>Staphylococcus aureus</em>(MRSA) is a bacterial pathogen that relies on expression of a widerange of virulence factors. Hemolysins are a diverse collection ofcytolytic toxins that promote virulence by being excreted and lysinghost blood cells. We previously reported on novel antivirulence compoundsthat modulate hemolysis in vitro, including a brominated carbazole(compound 8) and the active ingredient in Claritin (loratadine). Weanalyzed expression and activity of MRSA hemolysins in two hospital-acquiredstrains. Even with the same staphylococcal cassette chromosome <em>mec</em> (SCC<em>mec</em>) type, the strains displayedunique responses to loratadine where both repression and elevationof hemolysis occurred. These compounds are potentially binding andregulating the master regulatory protein, Stk1, which has known tiesto hemolysis in<em>S. aureus</em>. We hypothesizedthat the modulation of hemolysis by these putative Stk1 inhibitorswould extend to community-acquired strains of MRSA. Furthermore, wewanted to determine if Stk1 was the only hemolysis regulatory proteinbeing engaged by these compounds. To test this, we examined compound8 and loratadine effects on two different USA300 strains, in additionto transposon mutants for a range of hemolysis regulatory genes. Weobserved strain-specific regulation of hemolysis by Stk1. Loratadinecontinued to downregulate both alpha and beta hemolytic activity inUSA300 JE2 in both Stk1-dependent and independent pathways. Additionally,we report that this antivirulence compound effectively disrupts hemolysisby modulating both <em>agr</em> and <em>vraSR</em> global regulators, contributing to widespread cytotoxin repression.Both alpha hemolysin (<em>hla</em>) and RNAIII/delta hemolysin(<em>hld</em>) mRNA reductions occurred in vitro and in ahuman cell line model of MRSA infection. Together, these results expandour knowledge of loratadine’s mode of action as a virulencemodulator.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63059–63074"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221904","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}
引用次数: 0
Effects of Coal Rank on the Adsorption Characteristics and Mechanism of Hydrogen Sulfide by Coal Molecules 煤阶对煤分子吸附硫化氢特性及机理的影响
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-05 DOI: 10.1021/acsomega.6c04473
Peng Jia, Xiaoqi Huang, Yaxi Li, Jinzhang Jia, Linlin Wu
{"title":"Effects of Coal Rank on the Adsorption Characteristics and Mechanism of Hydrogen Sulfide by Coal Molecules","authors":"Peng Jia,&nbsp;Xiaoqi Huang,&nbsp;Yaxi Li,&nbsp;Jinzhang Jia,&nbsp;Linlin Wu","doi":"10.1021/acsomega.6c04473","DOIUrl":"https://doi.org/10.1021/acsomega.6c04473","url":null,"abstract":"<p>This study systematically investigates the molecularstructuralcharacteristics of different rank coals (anthracite, bituminous, lignite)and their adsorption properties and mechanisms toward hydrogen sulfide(H<sub>2</sub>S). By combining X-ray photoelectron spectroscopy (XPS)and solid-state 13C NMR spectroscopy, it was found that aromatic carboncontent increases remarkably from 55.91 to 91.75% with coal rank increasing,whereas aliphatic carbon and oxygen-bearing functional groups decreaseaccordingly. Macromolecular model representatives corresponding toeach coal rank were constructed based on experimental data, and molecularsimulation and adsorption analysis were performed using MaterialsStudio software. Pore structures vary markedly with coal rank: ligniteshows the greatest total pore volume but limited connectivity, whereasanthracite develops a well-connected micropore network. H<sub>2</sub>S adsorption follows the Langmuir–Freundlich model, with capacitiesdecreasing in the order: anthracite &gt; bituminous &gt; lignite.Althoughthe adsorption capacity decreases with increasing temperature, theeffect of temperature on the adsorption capacity of different coalgrades shows a non monotonic variation. Oxygen-bearing functionalgroups─particularly carboxyl, hydroxyl, and carbonyl─dominateH<sub>2</sub>S adsorption via hydrogen bonding, whereas π-electronsof aromatic rings contribute weakly. Molecular dynamics simulationsshow that the diffusion coefficient of H<sub>2</sub>S increases withtemperature and is highest in anthracite. This study elucidates theinfluence mechanism of coal rank structure on H<sub>2</sub>S adsorptionbehavior at the molecular level, providing a theoretical basis forthe treatment of H<sub>2</sub>S in coal seams.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62756–62776"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221907","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}
引用次数: 0
Establishing an in Vitro Model of Astrocyte Activation in Ischemic Traumatic Brain Injury: Therapeutic Synergy of Melatonin and Oxygen Nanobubbles 建立缺血性颅脑损伤星形胶质细胞活化的体外模型:褪黑素和氧纳米泡的协同治疗作用
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-06 DOI: 10.1021/acsomega.6c06656
Jimoh Olamilekan Igbalaye, Shreyaan Jain, Elizabeth Wenning, Anika Bushra, Rhea Nagabhyru, Zsaleigh Dagdagan, Joseph Irudayaraj
{"title":"Establishing an in Vitro Model of Astrocyte Activation in Ischemic Traumatic Brain Injury: Therapeutic Synergy of Melatonin and Oxygen Nanobubbles","authors":"Jimoh Olamilekan Igbalaye,&nbsp;Shreyaan Jain,&nbsp;Elizabeth Wenning,&nbsp;Anika Bushra,&nbsp;Rhea Nagabhyru,&nbsp;Zsaleigh Dagdagan,&nbsp;Joseph Irudayaraj","doi":"10.1021/acsomega.6c06656","DOIUrl":"https://doi.org/10.1021/acsomega.6c06656","url":null,"abstract":"<p>Secondary injuryfollowing ischemic traumatic brain injury(TBI)is heavily driven by neurovascular dysfunction involving endothelialdamage, astrocyte reactivity, inflammation, and hypoxic stress, amongother contributing pathophysiological processes. Here, we establisha mechanistically informative in vitro ischemic TBI model that isolatesendothelial-astrocyte crosstalk using human brain microvascular endothelialcells (HBMECs) and astrocytes. Using this platform, we evaluated melatoninand oxygen nanobubbles (ONBs) as a combinatorial therapeutic strategy.Fabricated ONBs exhibited a mean hydrodynamic diameter of 78.35 ±0.42 nm, a negative surface charge of −37.86 ± 1.32 mV,and sustained oxygen retention (56.38 ± 0.86 mg/L initially).Mechanical needle-scratch injury combined with hypoxia induced primaryendothelial injury characterized by reduced viability and increasedexpression of inflammatory and hypoxia-associated markers, quantifiedby quantitative real-time PCR (qRT-PCR). Injured HBMECs subsequentlytriggered astrocyte reactivity marked by elevated GFAP (1.93-fold; <em>p</em> &lt; 0.0001), NLRP3 (3.21-fold; <em>p</em> &lt;0.0001), NF-κβ signaling (1.62-fold; <em>p</em> &lt; 0.0001), and HIF-1α (2.28-fold; <em>p</em> &lt;0.0001), while reactive astrocytes propagated a secondary wave ofendothelial degeneration, establishing a bidirectional injury loop.Melatonin alone only partially mitigated injury-associated signaling,whereas the melatonin-ONBs combination restored astrocytic and endothelialgene expression to near-baseline levels. These findings highlighta multimodal therapeutic approach that effectively suppresses inflammatory,apoptotic, and hypoxic signaling in ischemic TBI.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63265–63275"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221914","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}
引用次数: 0
Mathematical Modeling of 6-APA Production by Enzymatic Hydrolysis of Penicillin G in a Batch Reactor 间歇式反应器中青霉素G酶解生产6-APA的数学模型
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-09 DOI: 10.1021/acsomega.6c01501
Letícia Eduarda Alves e Álvares, Lucas Figueiredo Formigosa, Marcos Vinícius da Silva Paula, Mailson Batista de Vilhena, Luciana Rocha Barros Gonçalves, Emanuel Negrão Macêdo, Bruno Marques Viegas
{"title":"Mathematical Modeling of 6-APA Production by Enzymatic Hydrolysis of Penicillin G in a Batch Reactor","authors":"Letícia Eduarda Alves e Álvares,&nbsp;Lucas Figueiredo Formigosa,&nbsp;Marcos Vinícius da Silva Paula,&nbsp;Mailson Batista de Vilhena,&nbsp;Luciana Rocha Barros Gonçalves,&nbsp;Emanuel Negrão Macêdo,&nbsp;Bruno Marques Viegas","doi":"10.1021/acsomega.6c01501","DOIUrl":"https://doi.org/10.1021/acsomega.6c01501","url":null,"abstract":"<p>6-Aminopenicillanicacid (6-APA) is a β-lactam intermediateof major industrial relevance and a key precursor for producing semisyntheticantibiotics. This study presents the development and analysis of amathematical model describing 6-APA production via heterogeneous enzymatichydrolysis of penicillin G in a batch reactor catalyzed by penicillinG acylase (PGA) immobilized on spherical supports. The model is formulatedusing coupled mass balances in the liquid and solid phases, explicitlyconsidering diffusive and convective transport effects on the reactionkinetics. The resulting system of differential equations is solvedusing three independent approaches: the method of lines (MOL), adoptedas the reference solution with explicit spatial dependence, the classicalapproximation, and the coupled integral equation approach with <em>H</em><sub>1,1</sub> approximation, the latter two being consideredapproximate solutions. A convergence analysis defines the spatialdiscretization required for the MOL solution. Comparison among thethree methodologies shows excellent agreement, demonstrating the consistencyof the solutions obtained. The results indicate that the mass Biotnumber (<em>Bi</em><sub>m</sub>) plays a critical role inreactor performance, with complete conversion being achieved at reducedreaction times for <em>Bi</em><sub>m</sub> equal to 10. Theresults demonstrate the validity of the proposed model and the effectivenessof the solution methods used, contributing to the analysis and optimizationof heterogeneous enzymatic processes at the industrial scale.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62470–62481"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222039","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}
引用次数: 0
Reduced Carbon Emissions and Chain Elongation during Mixotrophic Fermentation of a Biomass Feedstock 生物质原料混合营养发酵过程中碳排放和链伸长的减少
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-08 DOI: 10.1021/acsomega.6c06316
Myra X. Afzal, Maria L. Bonatelli, Sabine Kleinsteuber, Heike Sträuber, Flávio C. F. Baleeiro
{"title":"Reduced Carbon Emissions and Chain Elongation during Mixotrophic Fermentation of a Biomass Feedstock","authors":"Myra X. Afzal,&nbsp;Maria L. Bonatelli,&nbsp;Sabine Kleinsteuber,&nbsp;Heike Sträuber,&nbsp;Flávio C. F. Baleeiro","doi":"10.1021/acsomega.6c06316","DOIUrl":"https://doi.org/10.1021/acsomega.6c06316","url":null,"abstract":"<p>Anaerobic fermentationof biomass feedstocks using open culturesis a promising technology to produce platform carboxylates. Syngas,a mixture of H<sub>2</sub>, CO<sub>2</sub>, and CO, can be sourcedsustainably and used to supplement biomass feedstocks as a sourceof acetyl-CoA, an intermediate for carboxylate chain elongation. Totest this, syngas and corn silage were provided to a 10-L semicontinuousfermenter for 208 days of operation in a first-of-a-kind study atthis scale. After acclimation to syngas, a 2-fold reduction in averageCO<sub>2</sub> production rate (0.097 vs 0.21 g L<sup>–1</sup> d<sup>–1</sup>) was observed over a period of 42 days incomparison to a control. Syngas cofeeding also increased average productionrates of <em>n</em>-butyrate (C4) and <em>n</em>-caproate(C6) by 74 and 27%, respectively, although these effects were observedat relatively low C6 concentrations up to 4 g L<sup>–1</sup>. Abundances of <em>Megasphaera</em> and <em>Dialister</em> showed significant correlation (<em>p</em> &lt; 0.05) toconsumption of H<sub>2</sub>, CO<sub>2</sub>, and CO as well as productionof C3, C4, C5, or C7, suggesting involvement of these genera in mixotrophicmetabolism. A feasibility analysis showed that syngas recirculationcould return additional 1.54 USD m<sub>broth</sub><sup>–3</sup> while costing 1.26 USD m<sub>broth</sub><sup>–3</sup> andavoiding 1.81 kg CO<sub>2 eq.</sub> m<sub>broth</sub><sup>–3</sup> in emissions compared to heterotrophic fermentation. With stillmuch room to increase syngas consumption and carboxylate production,we propose mixotrophic fermentation as a “low-tech”technology to turn fermenters into decentralized industrial carbonsinks.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63179–63190"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221965","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}
引用次数: 0
Reusable and Recyclable pH-Responsive Hydrogel Particles for Acid/Base-Regulated Adsorption/Desorption Switching of Anionic Azo Dyes 用于阴离子偶氮染料酸/碱调节吸附/解吸开关的可重复使用和可回收的ph响应水凝胶颗粒
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-09 DOI: 10.1021/acsomega.6c06135
Hyo Takahashi, Maria Yuliana, Felycia Edi Soetaredjo, Motohiro Shizuma, Masahiro Muraoka, Shintaro Kawano
{"title":"Reusable and Recyclable pH-Responsive Hydrogel Particles for Acid/Base-Regulated Adsorption/Desorption Switching of Anionic Azo Dyes","authors":"Hyo Takahashi,&nbsp;Maria Yuliana,&nbsp;Felycia Edi Soetaredjo,&nbsp;Motohiro Shizuma,&nbsp;Masahiro Muraoka,&nbsp;Shintaro Kawano","doi":"10.1021/acsomega.6c06135","DOIUrl":"https://doi.org/10.1021/acsomega.6c06135","url":null,"abstract":"<p>This study demonstrates the rational design of high-performance,pH-responsive hydrogel particle adsorbents synthesized via precipitationpolymerization for advanced water remediation. An <em>N</em>,<em>N</em>-dimethylaminoethyl methacrylate unit was selectedas the cationic functional group in the hydrogel particles for theremoval of anionic azo dyes. The engineered three-dimensional polymericnetwork exhibited excellent adsorption efficiencies and rapidly reachedadsorption equilibrium via electrostatic interactions on the adsorbentinterface. Notably, mild acid/base stimuli of the hydrogel particlesenabled switchable adsorption/desorption and recycling of the adsorbentswith a removal efficiency of approximately 100%, which was maintainedover 10 cycles. Increasing the molar composition of <em>N</em>,<em>N-</em>dimethylaminoethyl methacrylate from 20 to 60%increased the maximum adsorption capacity from 282 to 904 mg/g. Theadsorption process for the anionic dyes fitted well to the pseudo-second-orderkinetic model and the Langmuir isotherm model. The sorption behaviorwas predominantly driven by reversible, pH-dependent electrostaticassociations with ion pairing between the adsorbent amino cation andadsorbate sulfonated anion. The rapid adsorption/desorption throughacid/base stimuli based on pH switching provided high selectivityfor anionic dyes in a mixed solution with cationic dyes. Furthermore,the adsorbents demonstrated superior removal efficiencies for variouscolored dyes in multicomponent contaminated solutions. These findingshighlight the potential of acid/base-responsive hydrogel particlesas robust, smart interfacial platforms for rapid, efficient, and selectiveseparation processes.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63110–63121"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221974","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}
引用次数: 0
Origin of Thermal Nonlinear Refraction in Alcohols Revealed by Spatial Self-Phase Modulation under Excitation at 1560 nm 1560nm激发下空间自相位调制揭示醇类热非线性折射的起源
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-01 DOI: 10.1021/acsomega.6c06785
Cecília L. A. V. Campos, Pollyanna M. P. de Alencar, Gleison S. Bezerra, Jessica E. Q. Baustista, Leonardo de S. Menezes, Cid B. de Araújo, Anderson S. L. Gomes
{"title":"Origin of Thermal Nonlinear Refraction in Alcohols Revealed by Spatial Self-Phase Modulation under Excitation at 1560 nm","authors":"Cecília L. A. V. Campos,&nbsp;Pollyanna M. P. de Alencar,&nbsp;Gleison S. Bezerra,&nbsp;Jessica E. Q. Baustista,&nbsp;Leonardo de S. Menezes,&nbsp;Cid B. de Araújo,&nbsp;Anderson S. L. Gomes","doi":"10.1021/acsomega.6c06785","DOIUrl":"https://doi.org/10.1021/acsomega.6c06785","url":null,"abstract":"<p>We investigated the relationship between molecular structureandnonlinear thermal responses of alcohols with different numbers ofcarbon atoms in their main chains using spatial self-phase modulationexperiments at 1560 nm. The studied materials included the followingaliphatic primary alcohols: methanol, ethanol, 1-propanol, 1-butanol,1-hexanol, 1-heptanol, and 1-octanol, in addition to isopropanol andphenylmethanol. The absolute values of the effective nonlinear refractiveindices, |<em>n</em><sub>2</sub><em><sub>eff</sub></em>|, ranged from 9.33 × 10<sup>–5</sup> cm<sup>2</sup>/Wfor methanol to 3.10 × 10<sup>–5</sup> cm<sup>2</sup>/Wfor octanol, with the linear absorption coefficient, α<sub>0</sub>, linking the molecular architecture to the thermal nonlinearity.The decrease in |<em>n</em><sub>2</sub><em><sub>eff</sub></em>| follows the reduction in the volumetric concentrationof O–H oscillators, which decreases as the carbon chain lengthincreases. We also performed control experiments at 800 nm, whereall solvents are transparent and no spatial self-phase modulationrings were observed, supporting the predominantly thermal origin ofthe phenomenon at 1560 nm. These findings highlight resonant linearabsorption as a central link between the chemical structure of thealcohols and their thermal nonlinear responses, strongly influencingthe magnitude of the thermal effect across the investigated series.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63322–63328"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149221951","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}
引用次数: 0
HMIL@ZIF-67/SiC Composite with MOFs-on-MOFs Structure for Activated Persulfate Degradation of Ciprofloxacin HMIL@ZIF-67/ MOFs-on-MOFs结构SiC复合材料活化过硫酸盐降解环丙沙星
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-06 DOI: 10.1021/acsomega.6c04084
Haonan Pei, Siyuan Liu, Jiaqi Yuan, Nannan Wang, Yongxin Lei, Qun Wei, Yanqiu Zhu
{"title":"HMIL@ZIF-67/SiC Composite with MOFs-on-MOFs Structure for Activated Persulfate Degradation of Ciprofloxacin","authors":"Haonan Pei,&nbsp;Siyuan Liu,&nbsp;Jiaqi Yuan,&nbsp;Nannan Wang,&nbsp;Yongxin Lei,&nbsp;Qun Wei,&nbsp;Yanqiu Zhu","doi":"10.1021/acsomega.6c04084","DOIUrl":"https://doi.org/10.1021/acsomega.6c04084","url":null,"abstract":"<p>Toaddress the challenge of thoroughly removing the antibioticciprofloxacin (CIP) using conventional processes, this study employeda MOFs-on-MOFs strategy. Utilizing silicon carbide (SiC) as the electrontransport medium, cobalt-based zeolite imidazolate framework (ZIF-67)was in situ formed on the surface of a titanium-based metal–organicframework (MIL-125). This approach successfully constructed the MIL@ZIF-67/SiCternary heterojunction composite. Characterization revealed that thismaterial significantly suppressed metal ion leaching by forming Ti–O–Cobonds, while the introduction of SiC effectively promoted interfacialcharge transfer. Performance evaluation demonstrated that the optimizedMIL@ZIF-67/SiC catalyst (1:2 ratio) achieved over 96% CIP degradationwithin 30 min, exhibiting broad-spectrum degradation capabilitiestoward pollutants including tetracycline and Rhodamine B. Mechanisticanalyses suggest that the Co<sup>2+</sup>/Co<sup>3+</sup> redox cyclein ZIF-67 plays a central role in PMS activation and reactive oxygenspecies generation. Titanium oxide clusters in MIL-125 regulate theelectron density at cobalt sites via interfacial charge transfer,while the incorporation of SiC is proposed to facilitate interfacialelectron transfer and promote the regeneration of Co<sup>2+</sup> fromCo<sup>3+</sup>. These results suggest that the synergistic interactionamong MIL-125, ZIF-67, and SiC facilitates PMS activation and sustainsthe catalytic redox process. Density functional theory calculationswere employed to identify the reactive sites of CIP molecules. Thisstudy provides new insights for designing multimetal MOF heterojunctionenvironmental functional materials.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"62824–62837"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222021","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}
引用次数: 0
Antifungal Activity of Essential Oils from Five Piper Species against Botrytis cinerea from Strawberry 五种辣椒精油对草莓灰霉病菌的抑菌活性研究
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-07 DOI: 10.1021/acsomega.6c07389
Inaiara Casapula, Diones Krinski, Juliana N. Maia, Henrique da S. S. Duarte, Francisco de A. Marques, Beatriz Helena L. N. Sales Maia
{"title":"Antifungal Activity of Essential Oils from Five Piper Species against Botrytis cinerea from Strawberry","authors":"Inaiara Casapula,&nbsp;Diones Krinski,&nbsp;Juliana N. Maia,&nbsp;Henrique da S. S. Duarte,&nbsp;Francisco de A. Marques,&nbsp;Beatriz Helena L. N. Sales Maia","doi":"10.1021/acsomega.6c07389","DOIUrl":"https://doi.org/10.1021/acsomega.6c07389","url":null,"abstract":"<p>Strawberry (<em>Fragaria</em> × <em>ananassa</em> Duch.) is susceptible to several fungaldiseases, such as gray mold, caused by <em>Botrytis cinerea</em>, that compromise fruits during and after harvest. Disease controlusually involves synthetic fungicides; however, the frequent selectionof isolates resistant to fungicides and the risk of chemical residuesin fruits have motivated the search for more sustainable alternatives.Plant essential oils are promising due to their antimicrobial properties.This study analyzed the seasonal composition of the essential oilsof five Brazilian <em>Piper</em> species (<em>Piper aduncum</em>, <em>Piper amalago</em>, <em>Piper caldense</em>, <em>Piper mikanianum</em>, and <em>Piper mollicomum</em>) and their effectiveness in controlling <em>Botrytis cinerea</em>. The chemical composition, determined by GasChromatography–Mass Spectrometry, revealed the main compoundsas a function of seasonality, with myristicin and germacrone beingthe most prominent. The essential oils of <em>Piper caldense</em> and <em>Piper mikanianum</em> were the mosteffective in controlling <em>Botrytis cinerea</em>, with a minimum inhibitory concentration of 20 μL mL<sup>–1</sup>, surpassing that of the commercial fungicide mancozeb. These resultssuggest a sustainable alternative for fungal disease control in agriculture.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"11 41","pages":"63466–63476"},"PeriodicalIF":5.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222028","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}
引用次数: 0
Plasmonic Ag@ZIF-8 Monolith for Enhanced Visible-Light Photocatalytic Degradation of Methylene Blue 等离子体Ag@ZIF-8增强可见光光催化降解亚甲基蓝的单体
IF 5.2 3区 化学
ACS Omega Pub Date : 2026-10-20 Epub Date: 2026-10-09 DOI: 10.1021/acsomega.6c05428
Piwai Tshuma, Mercy Chaparadza, Thapelo Seimela, Mmantsae Diale, Nicola Vimbainashe Poshayi, Linia Gedi Marazani, Gift Mehlana
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