ACS Applied Electronic Materials最新文献_第7页

Amalgamation of Thermodynamic Screening and Process Simulation: A Promising Approach for Deep Eutectic Solvent Selection for Natural Gas Sweetening 热力学筛选与工艺模拟的结合：为天然气增甜选择深共晶溶剂的有效方法

IF 3.8 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.iecr.4c0237610.1021/acs.iecr.4c02376

Rohan C. Thota, and , Debashis Kundu*,

{"title":"Amalgamation of Thermodynamic Screening and Process Simulation: A Promising Approach for Deep Eutectic Solvent Selection for Natural Gas Sweetening","authors":"Rohan C. Thota,  and , Debashis Kundu*, ","doi":"10.1021/acs.iecr.4c0237610.1021/acs.iecr.4c02376","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02376https://doi.org/10.1021/acs.iecr.4c02376","url":null,"abstract":"The selection of efficient deep eutectic solvents (DESs) for simultaneous extraction of carbon dioxide (CO2) and hydrogen sulfide (H2S) as well as purification of methane (CH4) from raw natural gas (NG), a multilevel screening method, is proposed. This method integrates Henry’s law constant (H) and vapor–liquid equilibrium (VLE)-based thermodynamic models, critical property estimation, and process simulation. Initially, the H-absorption selectivity desorption index (H-ASDI) screens potential DESs under infinite dilution conditions by estimating the infinite dilution activity coefficient to assess their target properties. Subsequently, their performance is evaluated using the VLE of {DES + NG} systems at specific compositions (1:1, 2:1, 3:1, and 4:1). Shortlisted DESs, identified through the VLE-based ASDI′, are further assessed in a conceptual NG sweetening process flow sheet to determine the best DES. After validating shortlisted DESs through process simulation, key physical properties are analyzed and compared to deduce their suitability for CO2 and H2S removal for practical applications in industries. This multilevel approach ensures thorough assessment and selection of DESs with optimal CO2 and H2S extraction capabilities, which are crucial for efficient gas sweetening processes in industrial applications.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19818–19831 19818–19831"},"PeriodicalIF":3.8,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical Investigation of Rhodium-Decorated Gallium Nitride Nanotubes for Sulfur Hexafluoride Decomposition Products Sensing and Scavenging Applications 用于六氟化硫分解产物传感和清除应用的铑装饰氮化镓纳米管的理论研究

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.langmuir.4c0346510.1021/acs.langmuir.4c03465

Qingfang Zhang*, Shoutao Fan, Jitao Zhang, Qianyu Chen, Yufeng Ding, Xiaowan Zheng, Aijuan Zhang, Lingzhi Cao*, Bochang Li and Genquan Han,

{"title":"Theoretical Investigation of Rhodium-Decorated Gallium Nitride Nanotubes for Sulfur Hexafluoride Decomposition Products Sensing and Scavenging Applications","authors":"Qingfang Zhang*, Shoutao Fan, Jitao Zhang, Qianyu Chen, Yufeng Ding, Xiaowan Zheng, Aijuan Zhang, Lingzhi Cao*, Bochang Li and Genquan Han, ","doi":"10.1021/acs.langmuir.4c0346510.1021/acs.langmuir.4c03465","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c03465https://doi.org/10.1021/acs.langmuir.4c03465","url":null,"abstract":"Gas-insulated switchgear (GIS) plays an important role as a modern power distribution device in power plants and power stations, which is commonly filled with SF6 insulating gas. During the equipment operation, the inevitable partial discharge causes SF6 to be broken down into gas (SF4, SOF2, SO2, and H2S), which degrades the insulation performance of the GIS. This paper is devoted to the detection of partial discharge and the removal of SF4 and SOF2, which are not conducive to insulation, by exploring new gas-sensing materials for characteristic gas detection. Based on first-principles calculation, on the one hand, the most stable adsorption configurations of rhodium-decorated gallium nitride nanotubes (Rh-GaNNTs) and gas adsorption systems were obtained. On the other hand, the doping and adsorption mechanisms were analyzed by band structure, density of states, deformation charge density, and molecular orbital theory. Subsequently, the gas-sensitive performance of Rh-GaNNTs for these four impurity gases was evaluated by analyzing the sensing response and recovery time. The adsorption stability and recovery time of Rh-GaNNTs to these gases are ranked as SF4 > SOF2 > SO2 > H2S; the order of influence of gas adsorption on sensitivity response is H2S > SO2 > SF4 ≈ SOF2. Calculation results show the potential of Rh-doped surfaces as reusable H2S and SO2 sensors and suggest their use as gas scavengers to remove SF4 and SOF2, especially SOF2.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"24086–24094 24086–24094"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Research on Remote and Near-Field Gas Collaborative Joint Control Technology in Coal and Gas Outburst Coal Seam 煤与瓦斯突出煤层远程近场瓦斯协同联合控制技术研究

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0797010.1021/acsomega.4c07970

Zhiwei Liu, Shuai Zhang, Xijian Li*, Junjie Cai and Shoukun Chen,

{"title":"Research on Remote and Near-Field Gas Collaborative Joint Control Technology in Coal and Gas Outburst Coal Seam","authors":"Zhiwei Liu, Shuai Zhang, Xijian Li*, Junjie Cai and Shoukun Chen, ","doi":"10.1021/acsomega.4c0797010.1021/acsomega.4c07970","DOIUrl":"https://doi.org/10.1021/acsomega.4c07970https://doi.org/10.1021/acsomega.4c07970","url":null,"abstract":"Aiming at the time and space limitation of gas control in the first mining face of newly built outburst mine, this study takes Longfeng Coal Mine in Guizhou as the engineering background and puts forward a concept of far- and near-field gas collaborative joint control based on “orientation + general drilling”. The correlation between effective extraction radius and extraction time of No. 9 coal seam is determined by establishing the mathematical model of gas migration in which stress field, diffusion field, and seepage field are coupled. Combined with the mining and deployment planning of the first mining face, the three-level strengthened regional gas management scheme of “directional middle, cross-layer, and cross-layer supplement” was designed, the spacing of drilling holes was optimized, and the spatiotemporal collaborative joint management system of gas advanced large areas was constructed. Practice has proven that the three-level gas extraction cooperative and joint management mode adopted in the 1903 first mining face effectively realized the spatiospatial matching of gas extraction and mining progress at all levels, realized the gas extraction standard and safe mining in advance, and provided an effective technical solution for the gas treatment of the first mining face in the newly built outburst mine.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45581–45590 45581–45590"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07970","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142607978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enzyme Benchmarking with Polyethylene Furanoate Soluble Scaffolds for Directed Evolution of PEFases 利用聚呋喃乙烯可溶性支架为 PEF 酶的定向进化建立酶基准

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0905310.1021/acsomega.4c09053

Mikel Dolz, Dianelis T. Monterrey, Felice Quartinello, Patricia Gomez de Santos, Ivan Mateljak, Alessandro Pellis, Georg Guebitz, Javier Viña-González* and Miguel Alcalde*,

{"title":"Enzyme Benchmarking with Polyethylene Furanoate Soluble Scaffolds for Directed Evolution of PEFases","authors":"Mikel Dolz, Dianelis T. Monterrey, Felice Quartinello, Patricia Gomez de Santos, Ivan Mateljak, Alessandro Pellis, Georg Guebitz, Javier Viña-González* and Miguel Alcalde*, ","doi":"10.1021/acsomega.4c0905310.1021/acsomega.4c09053","DOIUrl":"https://doi.org/10.1021/acsomega.4c09053https://doi.org/10.1021/acsomega.4c09053","url":null,"abstract":"Plastic waste is a major threat in our industrialized world and is driving research into bioplastics. The success of biobased polyethylene furanoate (PEF) as a viable alternative to polyethylene terephthalate (PET) of fossil origin will depend on designing effective enzymes to break it down, aiding its recycling. Here, a panel of fungal and bacterial cutinases were functionally expressed in a tandem yeast expression system based on Saccharomyces cerevisiae and Pichia pastoris. The activity of the enzyme panel was tested with soluble PEF model scaffolds, observing a correlation with the degradation of real PEF powder. A high-throughput colorimetric screening assay based on the PEF scaffold diethyl furan-2,5-dicarboxylate was developed, establishing the basis for future directed evolution campaigns of PEFases.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45633–45640 45633–45640"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c09053","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142607979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Inflammation-Modulating Biomedical Interventions for Diabetic Wound Healing: An Overview of Preclinical and Clinical Studies 针对糖尿病伤口愈合的炎症调节生物医学干预：临床前和临床研究综述

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0225110.1021/acsomega.4c02251

Nouf N. Mahmoud*, Salma Hamad and Sawsan Shraim,

{"title":"Inflammation-Modulating Biomedical Interventions for Diabetic Wound Healing: An Overview of Preclinical and Clinical Studies","authors":"Nouf N. Mahmoud*, Salma Hamad and Sawsan Shraim, ","doi":"10.1021/acsomega.4c0225110.1021/acsomega.4c02251","DOIUrl":"https://doi.org/10.1021/acsomega.4c02251https://doi.org/10.1021/acsomega.4c02251","url":null,"abstract":"A diabetic wound exemplifies the challenge of chronic, nonhealing wounds. Elevated blood sugar levels in diabetes profoundly disrupt macrophage function, impairing crucial activities such as phagocytosis, immune response, cell migration, and blood vessel formation, all essential for effective wound healing. Moreover, the persistent presence of pro-inflammatory cytokines and reactive oxygen species, coupled with a decrease in anti-inflammatory factors, exacerbates the delay in wound healing associated with diabetes. This review emphasizes the dysfunctional inflammatory responses underlying diabetic wounds and explores preclinical studies of inflammation-modulating bioactives and biomaterials that show promise in expediting diabetic wound healing. Additionally, this review provides an overview of selected clinical studies employing biomaterials and bioactive molecules, shedding light on the gap between extensive preclinical research and limited clinical studies in this field.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"44860–44875 44860–44875"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c02251","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preparation of Superhydrophobic and Multifunctional Sponges for Oil/Water Separation and Oil Absorption 制备用于油水分离和吸油的超疏水多功能海绵

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.langmuir.4c0303610.1021/acs.langmuir.4c03036

Zhishuang Han, Xinmeng Lv, Yingge Li, Meihuan Gao, Zhenlin Tang, Xinying Su, Ziyang Zhang, Haidi Li, Jing He, Zaihang Zheng* and Yan Liu*,

{"title":"Preparation of Superhydrophobic and Multifunctional Sponges for Oil/Water Separation and Oil Absorption","authors":"Zhishuang Han, Xinmeng Lv, Yingge Li, Meihuan Gao, Zhenlin Tang, Xinying Su, Ziyang Zhang, Haidi Li, Jing He, Zaihang Zheng* and Yan Liu*, ","doi":"10.1021/acs.langmuir.4c0303610.1021/acs.langmuir.4c03036","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c03036https://doi.org/10.1021/acs.langmuir.4c03036","url":null,"abstract":"For settling the recycling problem of waste polyurethane sponges (PU) and environment pollution of oil spills simultaneously, this work exploited the multifunctional superhydrophobic PU materials via the dip-coating method, which were prepared by anchoring modified Fe3O4 and expandable graphite (EG) on PU sponges under the adhesion effect of polydimethylsiloxane (PDMS). The water contact angle and sliding angle of as-prepared PU sponges reached 154.1 ± 1.6 and 8°, respectively. Most importantly, the superhydrophobic PU sponges were endowed with the multipath oil treatment ability, which consisted of magnetically driven, gravity-driven, peristaltic pump-driven, and photothermally driven modes. Besides, the light oil absorption capacity, separation flux, and efficiency for superhydrophobic PU sponges reached 23.9 g/g, 27779 L m–2 h–1, and 99.5%, respectively. Owing to the photothermal conversion ability of Fe3O4 and EG, the temperature of superhydrophobic PU sponges was raised to 71.5 °C within 233 s under 1.2 solar irradiation (1200 W/m2), demonstrating its absorption potential for high-viscosity crude oils. In addition, the prepared sponges exhibited good chemical/mechanical stability, self-cleaning, and flame retardancy. In a nutshell, this article has evolved an environmentally benign and practical method for fabricating the multifunctional materials in oil spill treatment, which will efficiently accomplish the targets of low carbon and environmental management.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23902–23917 23902–23917"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metal-Promoted La2O2SO4 for High-Temperature Soot Oxidation in Catalyzed Gasoline Particulate Filters 用于催化汽油微粒过滤器高温烟尘氧化的金属促进型 La2O2SO4

IF 3.8 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.iecr.4c0286910.1021/acs.iecr.4c02869

Elisabetta Maria Cepollaro, Stefano Cimino, Maria Rosaria Infante and Luciana Lisi*,

引用次数: 0

A Strategy for Fabricating Microscale Freestanding Single-Crystalline Complex Oxide Device Arrays 制造微米级独立单晶复合氧化物器件阵列的策略

IF 4.3 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsaelm.4c0148010.1021/acsaelm.4c01480

Huandong Chen, Yang Liu, Harish Kumarasubramanian, Mythili Surendran and Jayakanth Ravichandran*,

引用次数: 0

Formation and Dynamics of Imidazole Supramolecular Chains Investigated by Deep Potential Molecular Dynamics Simulation 利用深电位分子动力学模拟研究咪唑超分子链的形成和动力学特性

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acs.langmuir.4c0288810.1021/acs.langmuir.4c02888

Jianwei Zhang, Jinyu Lei, Pu Feng, Wenduo Chen, Jiajia Zhou* and Guangzhao Zhang*,

{"title":"Formation and Dynamics of Imidazole Supramolecular Chains Investigated by Deep Potential Molecular Dynamics Simulation","authors":"Jianwei Zhang, Jinyu Lei, Pu Feng, Wenduo Chen, Jiajia Zhou* and Guangzhao Zhang*, ","doi":"10.1021/acs.langmuir.4c0288810.1021/acs.langmuir.4c02888","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c02888https://doi.org/10.1021/acs.langmuir.4c02888","url":null,"abstract":"Imidazole-based materials have attracted considerable attention due to their promising potential for facilitating anhydrous proton transport at high temperatures. Herein, a machine learning-based deep potential (DP) model for bulk imidazole with first-principles accuracy is developed. The trained model exhibits remarkable accuracy in predicting energies and forces, with minor errors of 4.71 × 10–4 eV/atom and 3.23 × 10–2 eV/Å, respectively. Utilizing DP molecular dynamics simulations, we have systematically investigated the temperature-dependent formation and dynamics of imidazole supramolecular chains through the partial radial distribution function, quantification of hydrogen bond numbers, incoherent intermediate scattering function, and diffusion coefficient. The findings reveal the influence of temperature on the proton transport path following either the “Grotthuss” and “vehicle” mechanism.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23864–23871 23864–23871"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring Hypertension: The Role of AT1 Receptors, Sartans, and Lipid Bilayers 探索高血压：AT1 受体、沙坦类药物和脂质双层膜的作用

IF 3.7 3区材料科学

ACS Applied Electronic Materials Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c0635110.1021/acsomega.4c06351

Nikitas Georgiou, Eleni Chontzopoulou, Efthymios Alexandros Routsi, Irene Georgia Stavrakaki, Errikos Petsas, Nikoletta Zoupanou, Margarita Georgia Kakava, Demeter Tzeli, Thomas Mavromoustakos and Sofia Kiriakidi*,

{"title":"Exploring Hypertension: The Role of AT1 Receptors, Sartans, and Lipid Bilayers","authors":"Nikitas Georgiou, Eleni Chontzopoulou, Efthymios Alexandros Routsi, Irene Georgia Stavrakaki, Errikos Petsas, Nikoletta Zoupanou, Margarita Georgia Kakava, Demeter Tzeli, Thomas Mavromoustakos and Sofia Kiriakidi*, ","doi":"10.1021/acsomega.4c0635110.1021/acsomega.4c06351","DOIUrl":"https://doi.org/10.1021/acsomega.4c06351https://doi.org/10.1021/acsomega.4c06351","url":null,"abstract":"The rational design of AT1 receptor antagonists represents a pivotal approach in the development of therapeutic agents targeting cardiovascular pathophysiology. Sartans, a class of compounds engineered to inhibit the binding and activation of Angiotensin II on the AT1 receptor, have demonstrated significant clinical efficacy. This review explores the multifaceted role of sartans in mitigating hypertension and related complications. We highlight the integration of crystallography, computational simulations, and NMR spectroscopy to elucidate sartan-AT1 receptor interactions, providing a foundation for the next-generation antagonist design. The review also delves into the challenges posed by the high lipophilicity and suboptimal bioavailability of sartans, emphasizing advancements in nanotechnology and novel drug delivery systems. Additionally, we discuss the impact of lipid bilayers on the AT1 receptor conformation and drug binding, underscoring the importance of the lipidic environment in receptor-drug interactions. We suggest that optimizing drug design to account for these factors could enhance the therapeutic potential of AT1 receptor antagonists, paving the way for improved cardiovascular health outcomes.","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"44876–44890 44876–44890"},"PeriodicalIF":3.7,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06351","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0