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Removal of Antibiotics from Swine Wastewater Using an Environmentally Friendly Biochar: Performance and Mechanisms
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1021/acsomega.4c0726610.1021/acsomega.4c07266
Jessica de Oliveira Demarco*, Stacy L. Hutchinson, Prathap Parameswaran, Ganga Hettiarachchi and Trisha Moore, 

Antibiotics used in the swine industry to treat diseases and improve animal growth are poorly absorbed by swine and have been classified as micropollutants due to their occurrence in surface water, wastewater, and soil. This study investigated the capacity of biochar produced from eastern red cedar to remove target antibiotics that have been extensively used in the swine industry. Biochar was produced by pyrolysis from eastern red cedar at 450 °C. The sorption tests were performed by mixing biochar and a solution (1:10 ratio) containing each antibiotic in 100, 300, 600, and 900 μg L–1 concentrations. The results indicate that red cedar biochar was able to effectively remove up to 99.93% tetracycline, 96.23% oxytetracycline, 98.28% chlortetracycline, 76.4% sulfadiazine, and 78.6% sulfamethazine at the lowest concentrations. The removal efficiencies at higher concentrations declined up to 83.52, 47.23, 64.16, 69.8, and 58.4% for tetracycline, oxytetracycline, chlortetracycline, sulfadiazine, and sulfamethazine, respectively. The biochar exhibited stronger adsorption capacity for chlortetracycline and sulfamethazine compared to the other antibiotics. The likely adsorption mechanisms driving the removal of tetracyclines and sulfonamides are hydrogen-bonding and π–π electron-donor–acceptor, supported by FTIR analyses of the biochar itself. Overall, the results highlighted the potential utilization of eastern red cedar biochar for practical applications, mitigating antibiotic residues from swine wastewater in a cost-effective and environmentally friendly manner due to its relatively low pyrolysis temperature (450 °C) and sustainable repurposing of an invasive tree species.

{"title":"Removal of Antibiotics from Swine Wastewater Using an Environmentally Friendly Biochar: Performance and Mechanisms","authors":"Jessica de Oliveira Demarco*,&nbsp;Stacy L. Hutchinson,&nbsp;Prathap Parameswaran,&nbsp;Ganga Hettiarachchi and Trisha Moore,&nbsp;","doi":"10.1021/acsomega.4c0726610.1021/acsomega.4c07266","DOIUrl":"https://doi.org/10.1021/acsomega.4c07266https://doi.org/10.1021/acsomega.4c07266","url":null,"abstract":"<p >Antibiotics used in the swine industry to treat diseases and improve animal growth are poorly absorbed by swine and have been classified as micropollutants due to their occurrence in surface water, wastewater, and soil. This study investigated the capacity of biochar produced from eastern red cedar to remove target antibiotics that have been extensively used in the swine industry. Biochar was produced by pyrolysis from eastern red cedar at 450 °C. The sorption tests were performed by mixing biochar and a solution (1:10 ratio) containing each antibiotic in 100, 300, 600, and 900 μg L<sup>–1</sup> concentrations. The results indicate that red cedar biochar was able to effectively remove up to 99.93% tetracycline, 96.23% oxytetracycline, 98.28% chlortetracycline, 76.4% sulfadiazine, and 78.6% sulfamethazine at the lowest concentrations. The removal efficiencies at higher concentrations declined up to 83.52, 47.23, 64.16, 69.8, and 58.4% for tetracycline, oxytetracycline, chlortetracycline, sulfadiazine, and sulfamethazine, respectively. The biochar exhibited stronger adsorption capacity for chlortetracycline and sulfamethazine compared to the other antibiotics. The likely adsorption mechanisms driving the removal of tetracyclines and sulfonamides are hydrogen-bonding and π–π electron-donor–acceptor, supported by FTIR analyses of the biochar itself. Overall, the results highlighted the potential utilization of eastern red cedar biochar for practical applications, mitigating antibiotic residues from swine wastewater in a cost-effective and environmentally friendly manner due to its relatively low pyrolysis temperature (450 °C) and sustainable repurposing of an invasive tree species.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 8","pages":"7711–7721 7711–7721"},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07266","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533630","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}
引用次数: 0
Identification and Analysis of the Role of Zinc Finger Protein 580 in Ischemeia–Reperfusion Injury through Bioinformatics and Experimental Verification
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1021/acsomega.4c1028810.1021/acsomega.4c10288
Zhongbai Zhang*, Xueting Qin, Jiyuan Liu, Zhiyun Yan, Hongwei Xie* and Mei Zhang*, 

Ischemeia–reperfusion (I/R) injury is a severe complication after restoring blood perfusion in acute myocardial infarction treatment, in which vascular endothelial cell dysfunction is considered as the key event to exacerbate myocardial injury. We have previously verified the protective function of ZNF580 in endothelial cells, however, the impact of ZNF580 on I/R injury and its underlying mechanisms have not been explored in depth. The purpose of the present study is to investigate the regulatory role of ZNF580 on myocardial I/R injury and confirm that ZNF580 is a potential therapeutic candidate for I/R injury treatment. The potential mechanism of ZNF580 in I/R injury was determined via bioinformatics. A model of I/R injury in human umbilical vein endothelial cells (HUVECs) was subsequently established to confirm whether ZNF580 protects against I/R injury and whether this protective effect is exerted through the regulation of autophagic flow. Our study identified 459 differentially expressed genes (DEGs) in I/R injury. ZNF580 increased cell viability and gradually restored cell morphology, the cytoplasm was full, the intracellular structure was clear, and the cell space was significantly reduced in HUVECs exposed to I/R injury. Both Western blotting and reverse transcription-polymerase chain reaction (RT-qPCR) were used to detect the levels of different apoptosis-related proteins, it is shown that the ZNF580 significantly increased lysosome-associated membrane protein 2 (LAMP2) and light chain 3 (LC3) expressions, and markedly decreased protein 62 (P62) expression. Moreover, ZNF580 decreased lactate dehydrogenase (LDH) levels in the supernatant and the rate of apoptosis. ZNF580 promoted autophagosome and lysosome fusion and increased autophagic flux, thereby protecting HUVECs from I/R injury. Its protective effect is possibly related to the activation of the adenosine 5′-monophosphate (AMP)-activated protein kinase (AMPK) signaling pathway.

{"title":"Identification and Analysis of the Role of Zinc Finger Protein 580 in Ischemeia–Reperfusion Injury through Bioinformatics and Experimental Verification","authors":"Zhongbai Zhang*,&nbsp;Xueting Qin,&nbsp;Jiyuan Liu,&nbsp;Zhiyun Yan,&nbsp;Hongwei Xie* and Mei Zhang*,&nbsp;","doi":"10.1021/acsomega.4c1028810.1021/acsomega.4c10288","DOIUrl":"https://doi.org/10.1021/acsomega.4c10288https://doi.org/10.1021/acsomega.4c10288","url":null,"abstract":"<p >Ischemeia–reperfusion (I/R) injury is a severe complication after restoring blood perfusion in acute myocardial infarction treatment, in which vascular endothelial cell dysfunction is considered as the key event to exacerbate myocardial injury. We have previously verified the protective function of ZNF580 in endothelial cells, however, the impact of ZNF580 on I/R injury and its underlying mechanisms have not been explored in depth. The purpose of the present study is to investigate the regulatory role of ZNF580 on myocardial I/R injury and confirm that ZNF580 is a potential therapeutic candidate for I/R injury treatment. The potential mechanism of ZNF580 in I/R injury was determined via bioinformatics. A model of I/R injury in human umbilical vein endothelial cells (HUVECs) was subsequently established to confirm whether ZNF580 protects against I/R injury and whether this protective effect is exerted through the regulation of autophagic flow. Our study identified 459 differentially expressed genes (DEGs) in I/R injury. ZNF580 increased cell viability and gradually restored cell morphology, the cytoplasm was full, the intracellular structure was clear, and the cell space was significantly reduced in HUVECs exposed to I/R injury. Both Western blotting and reverse transcription-polymerase chain reaction (RT-qPCR) were used to detect the levels of different apoptosis-related proteins, it is shown that the ZNF580 significantly increased lysosome-associated membrane protein 2 (LAMP2) and light chain 3 (LC3) expressions, and markedly decreased protein 62 (P62) expression. Moreover, ZNF580 decreased lactate dehydrogenase (LDH) levels in the supernatant and the rate of apoptosis. ZNF580 promoted autophagosome and lysosome fusion and increased autophagic flux, thereby protecting HUVECs from I/R injury. Its protective effect is possibly related to the activation of the adenosine 5′-monophosphate (AMP)-activated protein kinase (AMPK) signaling pathway.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 8","pages":"8374–8387 8374–8387"},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c10288","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533733","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}
引用次数: 0
Study on Multiscale Structural Evolution Mechanism of Coal with Horizontal Fractures under Stress and Gas Relief
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-18 DOI: 10.1021/acsomega.4c0996510.1021/acsomega.4c09965
Zhonghua Wang, Zhongping Guo*, Fujin Lin and Shudong He, 

This work aims at solving the problem of prevention and control of coal and gas outburst disasters that are dominated by stress in a deep coal seam. It is found that hydraulic slotting and gas extraction lead to double pressure relief for the coal seam stress and gas. A double pressure relief coefficient is proposed. Mechanical seepage experiments of horizontal fracture coal samples with different double pressure relief coefficients are designed (K = 0.5, 1.0, 1.5). This study determined the evolution mechanism and mathematical model of the macro–fine–microstructure of coal seam fracture under the action of stress and gas relief. The results show that the fracture of horizontal slot coal has a tendency to weaken gradually with the increase of the double pressure relief coefficient K. The macrofracture plays a more dominant role than the microfracture. When K = 1.0 (Δσ = ΔP), the macrofracture is the most developed. When K = 0.5 (Δσ = 0.5ΔP), the mesofracture is the most developed. Before and after the experiment, the proportion of micropores and small pores is the largest, followed by the proportion of large pores, and the proportion of middle holes is the smallest. After the experiment, the proportion of medium and large pores increases, while the proportion of micro- and small pores decreases. The relationship between the fracture parameters and the double pressure relief coefficient K is quadratic or cubic. The relationship between pore size and cumulative volume ratio is a logarithmic function. This study provides a scientific basis for double pressure relief and permeability improvement of stress and gas in coal seams, efficient extraction, and effective outburst prevention.

{"title":"Study on Multiscale Structural Evolution Mechanism of Coal with Horizontal Fractures under Stress and Gas Relief","authors":"Zhonghua Wang,&nbsp;Zhongping Guo*,&nbsp;Fujin Lin and Shudong He,&nbsp;","doi":"10.1021/acsomega.4c0996510.1021/acsomega.4c09965","DOIUrl":"https://doi.org/10.1021/acsomega.4c09965https://doi.org/10.1021/acsomega.4c09965","url":null,"abstract":"<p >This work aims at solving the problem of prevention and control of coal and gas outburst disasters that are dominated by stress in a deep coal seam. It is found that hydraulic slotting and gas extraction lead to double pressure relief for the coal seam stress and gas. A double pressure relief coefficient is proposed. Mechanical seepage experiments of horizontal fracture coal samples with different double pressure relief coefficients are designed (<i>K</i> = 0.5, 1.0, 1.5). This study determined the evolution mechanism and mathematical model of the macro–fine–microstructure of coal seam fracture under the action of stress and gas relief. The results show that the fracture of horizontal slot coal has a tendency to weaken gradually with the increase of the double pressure relief coefficient <i>K</i>. The macrofracture plays a more dominant role than the microfracture. When <i>K</i> = 1.0 (Δσ = Δ<i>P</i>), the macrofracture is the most developed. When <i>K</i> = 0.5 (Δσ = 0.5Δ<i>P</i>), the mesofracture is the most developed. Before and after the experiment, the proportion of micropores and small pores is the largest, followed by the proportion of large pores, and the proportion of middle holes is the smallest. After the experiment, the proportion of medium and large pores increases, while the proportion of micro- and small pores decreases. The relationship between the fracture parameters and the double pressure relief coefficient <i>K</i> is quadratic or cubic. The relationship between pore size and cumulative volume ratio is a logarithmic function. This study provides a scientific basis for double pressure relief and permeability improvement of stress and gas in coal seams, efficient extraction, and effective outburst prevention.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 8","pages":"8237–8249 8237–8249"},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c09965","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533758","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}
引用次数: 0
Pyrolysis Behavior, Kinetic Analysis, and Biochar Production from Waste Flowers
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 DOI: 10.1021/acsomega.4c1070010.1021/acsomega.4c10700
Richa Gupta, Ranjeet Kumar Mishra* and Kaustubha Mohanty*, 

Waste flowers constitute a significant portion of organic waste, offering the potential for sustainable waste management through pyrolysis. This study explores the pyrolysis behavior, kinetic parameters, and biochar production from waste flowers. Thermogravimetric analysis (TGA) was employed to examine thermal degradation characteristics under varying heating rates (10, 20, and 50 °C min–1). Kinetic analysis was performed using model-free methods such as the Friedman method (FM), Ozawa–Flynn–Wall (OFW), Starink method (STM), Kissinger–Akahira–Sunose (KAS), and Criado model to determine the pyrolysis kinetic parameters. Further, the biochar was produced in a semibatch reactor at 450 °C with a 10 °C min–1 heating rate and 100 mL min–1 nitrogen flow rate. The characterization of the biochar included proximate and elemental analysis, calorific value, bulk density, Brunauer–Emmett–Teller (BET) surface area, pH, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray (EDX) analysis, and water-holding capacity. The decomposition results were confirmed in three stages: moisture removal, active pyrolysis, and residue formation. Kinetic results revealed a multistep reaction mechanism, with average activation energies of 236.35, 232.29, 234.74, and 221.50 kJ mol–1 derived from KAS, OFW, STM, and FM, respectively. Pyrolysis of marigold flowers (MG) yielded 36.64 wt % biochar at 450 and 10 °C min–1 heating rate. Further, the biochar exhibited a 57.10% carbon content, 33.57 MJ kg–1 higher heating value (HHV), 9.96 m2 g–1 BET surface area, and 29.14 mV zeta potential, demonstrating its potential for soil amendment, carbon sequestration, and pollutant adsorption. This study emphasizes the value of MG as a feedstock for biochar production, contributing to circular economy initiatives.

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引用次数: 0
Nanoscience in Action: Unveiling Emerging Trends in Materials and Applications
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 DOI: 10.1021/acsomega.4c1092910.1021/acsomega.4c10929
Kevin J. Hughes, Magesh Ganesan, Rumiana Tenchov, Kavita A. Iyer, Krittika Ralhan, Leilani Lotti Diaz, Robert E. Bird, Julian Ivanov and Qiongqiong Angela Zhou*, 

Since their inception in the early 1960s, the use of nanoscale materials has progressed in leaps and bounds, and their role in diverse fields ranging from human health to energy is undeniable. In this report, we utilize the CAS Content Collection, a vast repository of scientific information extracted from journals and patent publications, to identify emerging topics in this field. This involves understanding trends, such as the growth of certain topics over time, as well as establishing relationships among emerging topics. We achieved this by using a host of strategies including a quantitative natural language processing (NLP) approach to identify over 270 emerging topics and subtopics across three major categories─materials, applications, and properties─by surveying over 3 million documents spanning across two decades in the nanoscience landscape. This wealth of information has been condensed into several conceptual Trendscape maps and other data visualizations, providing metrics related to the growth of identified emerging concepts, and grouped into hierarchical classes, and the connections between them have been explored. Our extensive analysis taking advantage of an NLP-based approach along with robust CAS indexing provides valuable insights in the field that we hope can help to inform and drive future research efforts. In a series of interconnected papers, we will present our findings from this project, with a focus on four major applications of nanoscale materials─drug delivery, sensors, energy, and catalysis─to provide a more comprehensive and detailed picture of the use of nanotechnology in these fields.

自 20 世纪 60 年代初诞生以来,纳米级材料的应用取得了突飞猛进的发展,其在从人类健康到能源等各个领域的作用毋庸置疑。在本报告中,我们利用从期刊和专利出版物中提取的庞大科学信息库--中科院内容集,来确定该领域的新兴主题。这包括了解趋势,如某些主题随时间推移的增长情况,以及建立新兴主题之间的关系。为了实现这一目标,我们采用了一系列策略,包括定量自然语言处理(NLP)方法,通过调查纳米科学领域二十年来的 300 多万篇文献,确定了材料、应用和特性三大类中的 270 多个新兴主题和子主题。这些丰富的信息被浓缩成若干概念趋势图和其他可视化数据,提供了与已识别的新兴概念的增长相关的指标,并按层次进行了分类,还探讨了它们之间的联系。我们利用基于 NLP 的方法和强大的 CAS 索引进行了广泛的分析,为这一领域提供了宝贵的见解,我们希望这些见解能够为未来的研究工作提供信息和动力。在一系列相互关联的论文中,我们将介绍本项目的研究成果,重点关注纳米材料的四大应用领域--药物输送、传感器、能源和催化--从而更全面、更详细地介绍纳米技术在这些领域的应用。
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引用次数: 0
Investigating Polypyrrole/Silver-Based Composite for Biofilm Prevention on Silicone Surfaces for Urinary Catheter Applications.
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 eCollection Date: 2025-02-25 DOI: 10.1021/acsomega.4c10109
Maíra C Marcolino, Milena L Guimarães, Marina de L Fontes, Flávia A Resende, Hernane da S Barud, Andreia S Azevedo, Nuno F Azevedo, Helinando P de Oliveira

Catheter-associated urinary tract infections (CAUTIs) are among the most common healthcare-related infections caused by biofilm formation. This research investigated the efficacy of polypyrrole (PPy), silver nanoparticles (AgNPs), and their combination (PPy/AgNPs) as water-soluble additives applied in cleaning procedures for preventing the formation of Escherichia coli and Staphylococcus aureus (single and dual-species biofilms) on silicone. Ultraviolet-visible absorption assays, scanning electron microscopy (SEM) images, FTIR analysis, and dynamic light scattering experiments were conducted to evaluate the structure and physicochemical response of the antibiofilm compounds, with the biofilm prevention concentrations assessed by plate counting, flow cytometry, and SEM images. The composites proved to be dose-dependent agents preventing single- and dual-species biofilms from forming under simulated CAUTI conditions. Furthermore, cytotoxicity assays indicated that the materials are non-cytotoxic, supporting their suitability for biomedical applications. These findings pave the way for developing more effective, biocompatible catheter cleaning procedures, ultimately improving patient outcomes and addressing biofilms-related infections in clinical settings.

{"title":"Investigating Polypyrrole/Silver-Based Composite for Biofilm Prevention on Silicone Surfaces for Urinary Catheter Applications.","authors":"Maíra C Marcolino, Milena L Guimarães, Marina de L Fontes, Flávia A Resende, Hernane da S Barud, Andreia S Azevedo, Nuno F Azevedo, Helinando P de Oliveira","doi":"10.1021/acsomega.4c10109","DOIUrl":"https://doi.org/10.1021/acsomega.4c10109","url":null,"abstract":"<p><p>Catheter-associated urinary tract infections (CAUTIs) are among the most common healthcare-related infections caused by biofilm formation. This research investigated the efficacy of polypyrrole (PPy), silver nanoparticles (AgNPs), and their combination (PPy/AgNPs) as water-soluble additives applied in cleaning procedures for preventing the formation of <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> (single and dual-species biofilms) on silicone. Ultraviolet-visible absorption assays, scanning electron microscopy (SEM) images, FTIR analysis, and dynamic light scattering experiments were conducted to evaluate the structure and physicochemical response of the antibiofilm compounds, with the biofilm prevention concentrations assessed by plate counting, flow cytometry, and SEM images. The composites proved to be dose-dependent agents preventing single- and dual-species biofilms from forming under simulated CAUTI conditions. Furthermore, cytotoxicity assays indicated that the materials are non-cytotoxic, supporting their suitability for biomedical applications. These findings pave the way for developing more effective, biocompatible catheter cleaning procedures, ultimately improving patient outcomes and addressing biofilms-related infections in clinical settings.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 7","pages":"7058-7068"},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11866176/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143539506","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}
引用次数: 0
Effect of Acid-Base Property on the Upgrade of Ethanol and Acetaldehyde to Butadiene over Sc2O3-SiO2 Catalysts.
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 eCollection Date: 2025-02-25 DOI: 10.1021/acsomega.4c10129
Qiangqiang Zhu, Lilin Yin, Xianyao Han, Bin Wang

A novel Sc2O3-SiO2 catalyst was explored and evaluated for the upgrade of ethanol and acetaldehyde to butadiene. Notably, the Sc2O3-SiO2 catalyst with a Sc/Si molar ratio of 0.06 demonstrated exceptional performance, exhibiting the highest selectivity of 81.7% for butadiene alongside a selectivity of 10.2% for butanol. When the Sc/Si ratio was increased to 0.3, the butanol selectivity increased to 30.0%. To elucidate the underlying factors governing these results, detailed characterizations of the catalysts structure and acidic-basic properties were conducted for the Sc2O3-SiO2 materials. The analyses revealed that the higher percentage of strong acidic sites in total acidic sites was conducive to higher butadiene yield, while the increased density of strong basic sites correlated with higher butanol selectivity.

{"title":"Effect of Acid-Base Property on the Upgrade of Ethanol and Acetaldehyde to Butadiene over Sc<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> Catalysts.","authors":"Qiangqiang Zhu, Lilin Yin, Xianyao Han, Bin Wang","doi":"10.1021/acsomega.4c10129","DOIUrl":"https://doi.org/10.1021/acsomega.4c10129","url":null,"abstract":"<p><p>A novel Sc<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> catalyst was explored and evaluated for the upgrade of ethanol and acetaldehyde to butadiene. Notably, the Sc<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> catalyst with a Sc/Si molar ratio of 0.06 demonstrated exceptional performance, exhibiting the highest selectivity of 81.7% for butadiene alongside a selectivity of 10.2% for butanol. When the Sc/Si ratio was increased to 0.3, the butanol selectivity increased to 30.0%. To elucidate the underlying factors governing these results, detailed characterizations of the catalysts structure and acidic-basic properties were conducted for the Sc<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> materials. The analyses revealed that the higher percentage of strong acidic sites in total acidic sites was conducive to higher butadiene yield, while the increased density of strong basic sites correlated with higher butanol selectivity.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 7","pages":"7069-7076"},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11866019/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143539458","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}
引用次数: 0
Synergistic Effect of Alumina Nanoparticles and 3-Armed Glyceryl Lactate Additives on Biodiesel Cold Flow Properties, IC Engine Performance, and Emission Characteristics
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 DOI: 10.1021/acsomega.4c0872010.1021/acsomega.4c08720
Melese Balew Belay, Melakuu Tesfaye Alemea, Jibril Goli Buta and Zelalem Tumsa Tefera*, 

The energy demand of future generations cannot be realized by fossil fuel resources due to their exhaustible nature and the largest source of greenhouse gas emissions. Biodiesel is a potential renewable energy that can replace petro-diesel. However, it is required to improve cold flow properties, engine performance, and emission characteristics of biodiesel. In this study, a 3-armed glyceryl lactate bioadditive was used with Al2O3-NPs simultaneously to enhance engine performance and reduce emissions. 3-Armed Gly-lac can be used as a cold flow improver, oxygenate additive, and dispersant for Al2O3-NPs. It was synthesized from glycerol and lactic acid. The biodiesel used in this study was also synthesized from soybean oil and methanol through a trans-esterification reaction. Al2O3-NPs were synthesized by a sol–gel method and characterized using UV–vis, FTIR spectroscopy, PSA, and XRD. The effect of Al2O3-NP-dispersed 3-armed Gly-lac on the cloud point (CP) and pour point (PP) of biodiesel was studied. The synergetic effects of Gly-lac and Al2O3-NPs (various loading rates) on the engine performance and emission characteristics were also investigated. Addition of Gly-lac and Al2O3-NPs (3 wt %) into the biodiesel brought a maximum reduction in the CP and PP by 7 and 9.44 °C, respectively, as compared to pure biodiesel. Similarly, the addition of Gly-lac and Al2O3-NPs (3 wt %) into B20 brought a maximum improvement in the brake power and brake thermal efficiency by 0.843 kW and 6.837%, respectively, during full load operation. However, the brake-specific fuel consumption was reduced by 25.26%. Maximum reduction in emissions of unburned HC, NOx, and CO by 61.20%, 24.42%, and 39.52% were obtained, respectively, when 3 wt % Al2O3-NP/3-armed Gly-lac was used as an additive compared to B20.

{"title":"Synergistic Effect of Alumina Nanoparticles and 3-Armed Glyceryl Lactate Additives on Biodiesel Cold Flow Properties, IC Engine Performance, and Emission Characteristics","authors":"Melese Balew Belay,&nbsp;Melakuu Tesfaye Alemea,&nbsp;Jibril Goli Buta and Zelalem Tumsa Tefera*,&nbsp;","doi":"10.1021/acsomega.4c0872010.1021/acsomega.4c08720","DOIUrl":"https://doi.org/10.1021/acsomega.4c08720https://doi.org/10.1021/acsomega.4c08720","url":null,"abstract":"<p >The energy demand of future generations cannot be realized by fossil fuel resources due to their exhaustible nature and the largest source of greenhouse gas emissions. Biodiesel is a potential renewable energy that can replace petro-diesel. However, it is required to improve cold flow properties, engine performance, and emission characteristics of biodiesel. In this study, a 3-armed glyceryl lactate bioadditive was used with Al<sub>2</sub>O<sub>3</sub>-NPs simultaneously to enhance engine performance and reduce emissions. 3-Armed Gly-lac can be used as a cold flow improver, oxygenate additive, and dispersant for Al<sub>2</sub>O<sub>3</sub>-NPs. It was synthesized from glycerol and lactic acid. The biodiesel used in this study was also synthesized from soybean oil and methanol through a <i>trans</i>-esterification reaction. Al<sub>2</sub>O<sub>3</sub>-NPs were synthesized by a sol–gel method and characterized using UV–vis, FTIR spectroscopy, PSA, and XRD. The effect of Al<sub>2</sub>O<sub>3</sub>-NP-dispersed 3-armed Gly-lac on the cloud point (CP) and pour point (PP) of biodiesel was studied. The synergetic effects of Gly-lac and Al<sub>2</sub>O<sub>3</sub>-NPs (various loading rates) on the engine performance and emission characteristics were also investigated. Addition of Gly-lac and Al<sub>2</sub>O<sub>3</sub>-NPs (3 wt %) into the biodiesel brought a maximum reduction in the CP and PP by 7 and 9.44 °C, respectively, as compared to pure biodiesel. Similarly, the addition of Gly-lac and Al<sub>2</sub>O<sub>3</sub>-NPs (3 wt %) into B20 brought a maximum improvement in the brake power and brake thermal efficiency by 0.843 kW and 6.837%, respectively, during full load operation. However, the brake-specific fuel consumption was reduced by 25.26%. Maximum reduction in emissions of unburned HC, NO<sub><i>x</i></sub>, and CO by 61.20%, 24.42%, and 39.52% were obtained, respectively, when 3 wt % Al<sub>2</sub>O<sub>3</sub>-NP/3-armed Gly-lac was used as an additive compared to B20.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 8","pages":"7898–7906 7898–7906"},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c08720","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533784","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}
引用次数: 0
Effect of N2/CO2 Dilution Ratios on Explosion Characteristics of Hydrogen/Propane Mixtures
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 DOI: 10.1021/acsomega.4c0890710.1021/acsomega.4c08907
Chengxu You, Songping Yang and Chengcai Wei*, 

With the advancement of hydrogen energy, hydrogen-blended fuels have gained widespread application in industrial and energy sectors, drawing significant attention to the explosion characteristics and safety risks associated with hydrogen/propane (H2/C3H8) gas mixtures. To effectively mitigate these explosion risks, this study investigates the inerting effects of various nitrogen (N2) and carbon dioxide (CO2) dilution ratios on H2/C3H8 gas mixtures. The CHEMKIN-Pro software was employed to simulate the explosion and inerting properties of these mixtures, analyzing parameters such as adiabatic explosion pressure, flame temperature, concentrations of key radicals, heat release rate, and sensitivity of elementary reactions. The results indicate that an increase in the CO2 dilution ratio corresponds to a linear decrease in both the adiabatic explosion pressure and the flame temperature. Furthermore, a higher CO2 dilution ratio leads to a decline in the heat release rate and the generation rates of H, O, and OH radicals, with the generation rate of H radicals experiencing the most notable reduction. Sensitivity analysis of elementary reactions reveals that reaction R1: H + O2 = O + OH has the most significant promoting effect, while R410: C3H8 + H = H2 + iC3H7 exhibits a pronounced inhibitory effect. CO2 effectively suppresses and transforms key intermediates through specific reaction pathways (such as R52: CH + CO2 = HCO + CO and R79: CH2 + CO2 = CH2O + CO), thus reducing the overall heat release rate of the reactions. This study offers important theoretical insights into the inhibitory role of inert gases in H2/C3H8 gas mixtures, providing a foundation for safety management and the advancement of clean energy technologies.

{"title":"Effect of N2/CO2 Dilution Ratios on Explosion Characteristics of Hydrogen/Propane Mixtures","authors":"Chengxu You,&nbsp;Songping Yang and Chengcai Wei*,&nbsp;","doi":"10.1021/acsomega.4c0890710.1021/acsomega.4c08907","DOIUrl":"https://doi.org/10.1021/acsomega.4c08907https://doi.org/10.1021/acsomega.4c08907","url":null,"abstract":"<p >With the advancement of hydrogen energy, hydrogen-blended fuels have gained widespread application in industrial and energy sectors, drawing significant attention to the explosion characteristics and safety risks associated with hydrogen/propane (H<sub>2</sub>/C<sub>3</sub>H<sub>8</sub>) gas mixtures. To effectively mitigate these explosion risks, this study investigates the inerting effects of various nitrogen (N<sub>2</sub>) and carbon dioxide (CO<sub>2</sub>) dilution ratios on H<sub>2</sub>/C<sub>3</sub>H<sub>8</sub> gas mixtures. The CHEMKIN-Pro software was employed to simulate the explosion and inerting properties of these mixtures, analyzing parameters such as adiabatic explosion pressure, flame temperature, concentrations of key radicals, heat release rate, and sensitivity of elementary reactions. The results indicate that an increase in the CO<sub>2</sub> dilution ratio corresponds to a linear decrease in both the adiabatic explosion pressure and the flame temperature. Furthermore, a higher CO<sub>2</sub> dilution ratio leads to a decline in the heat release rate and the generation rates of H, O, and OH radicals, with the generation rate of H radicals experiencing the most notable reduction. Sensitivity analysis of elementary reactions reveals that reaction R1: H + O<sub>2</sub> = O + OH has the most significant promoting effect, while R410: C<sub>3</sub>H<sub>8</sub> + H = H<sub>2</sub> + iC<sub>3</sub>H<sub>7</sub> exhibits a pronounced inhibitory effect. CO<sub>2</sub> effectively suppresses and transforms key intermediates through specific reaction pathways (such as R52: CH + CO<sub>2</sub> = HCO + CO and R79: CH<sub>2</sub> + CO<sub>2</sub> = CH<sub>2</sub>O + CO), thus reducing the overall heat release rate of the reactions. This study offers important theoretical insights into the inhibitory role of inert gases in H<sub>2</sub>/C<sub>3</sub>H<sub>8</sub> gas mixtures, providing a foundation for safety management and the advancement of clean energy technologies.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 8","pages":"7989–7998 7989–7998"},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c08907","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143533918","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}
引用次数: 0
Transgenic Innovation: Harnessing Cyclotides as Next Generation Pesticides
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-02-17 DOI: 10.1021/acsomega.4c0966810.1021/acsomega.4c09668
Sathira Deegala, Hiruni C. Rathnapala, Sanjeevan Rajendran and Chamari Hettiarachchi*, 

Cyclotides are unique cyclic mini proteins derived from plants which are recognized for the distinctive cyclic cystine knot (CCK) structure and the cyclized backbone. To date, more than 760 sequences of cyclotides have been identified across five major families, making them the largest known group of cyclic peptides. These cyclic peptides derived from plants have garnered significant attention due to their remarkable structural stability and diverse bioactivities, including potent insecticidal properties, which offer a promising alternative to conventional pesticides that are often associated with environmental toxicity and resistance development in pests. Advances in transgenic technology have opened new avenues for the sustainable and targeted deployment of cyclotides in pest management. By incorporating cyclotide genes into crops, plants can gain enhanced self-defense mechanisms against insect pests, reducing reliance on chemical pesticides and mitigating ecological impact. This review explores the molecular features essential in cyclotides’ insecticidal activity, the latest breakthroughs in transgenic strategies for cyclotide expression in crops, and the potential challenges and future prospects of this innovative approach. By highlighting the synergy between natural bioactive compounds and genetic engineering, this work underscores the potential of cyclotides as next-generation, eco-friendly biopesticides to address global agricultural challenges.

{"title":"Transgenic Innovation: Harnessing Cyclotides as Next Generation Pesticides","authors":"Sathira Deegala,&nbsp;Hiruni C. Rathnapala,&nbsp;Sanjeevan Rajendran and Chamari Hettiarachchi*,&nbsp;","doi":"10.1021/acsomega.4c0966810.1021/acsomega.4c09668","DOIUrl":"https://doi.org/10.1021/acsomega.4c09668https://doi.org/10.1021/acsomega.4c09668","url":null,"abstract":"<p >Cyclotides are unique cyclic mini proteins derived from plants which are recognized for the distinctive cyclic cystine knot (CCK) structure and the cyclized backbone. To date, more than 760 sequences of cyclotides have been identified across five major families, making them the largest known group of cyclic peptides. These cyclic peptides derived from plants have garnered significant attention due to their remarkable structural stability and diverse bioactivities, including potent insecticidal properties, which offer a promising alternative to conventional pesticides that are often associated with environmental toxicity and resistance development in pests. Advances in transgenic technology have opened new avenues for the sustainable and targeted deployment of cyclotides in pest management. By incorporating cyclotide genes into crops, plants can gain enhanced self-defense mechanisms against insect pests, reducing reliance on chemical pesticides and mitigating ecological impact. This review explores the molecular features essential in cyclotides’ insecticidal activity, the latest breakthroughs in transgenic strategies for cyclotide expression in crops, and the potential challenges and future prospects of this innovative approach. By highlighting the synergy between natural bioactive compounds and genetic engineering, this work underscores the potential of cyclotides as next-generation, eco-friendly biopesticides to address global agricultural challenges.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 7","pages":"6323–6336 6323–6336"},"PeriodicalIF":3.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c09668","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143478124","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}
引用次数: 0
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