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One-Pot Stereospecific Synthesis of 1,4-Oligosaccharides by Glycal-Derived Vinyl Epoxides Assembly 乙醛衍生环氧乙烯单锅立体特异性合成 1,4-寡糖
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acsomega.4c0524710.1021/acsomega.4c05247
Maria Chiara Santangelo, Dalila Iacopini, Lucilla Favero, Riccardo Zecchi, Giuseppe Pieraccini, Sebastiano Di Pietro* and Valeria Di Bussolo*, 
{"title":"One-Pot Stereospecific Synthesis of 1,4-Oligosaccharides by Glycal-Derived Vinyl Epoxides Assembly","authors":"Maria Chiara Santangelo,&nbsp;Dalila Iacopini,&nbsp;Lucilla Favero,&nbsp;Riccardo Zecchi,&nbsp;Giuseppe Pieraccini,&nbsp;Sebastiano Di Pietro* and Valeria Di Bussolo*,&nbsp;","doi":"10.1021/acsomega.4c0524710.1021/acsomega.4c05247","DOIUrl":"https://doi.org/10.1021/acsomega.4c05247https://doi.org/10.1021/acsomega.4c05247","url":null,"abstract":"<p >Recently, naturally occurring linear 1,4-glycans have attracted remarkable attention for their activity in cancer and neurodegenerative disease treatment. Classical chemical synthetic strategies for linear 1,4-oligosaccharides are considerably time-consuming due to orthogonal protection/deprotection, the introduction of leaving groups, and various forms of activation of the glycosylation reaction. Herein, we present a new one-pot microwave-activated reiterative assembly of glycal-derived vinyl epoxides in an uncatalyzed substrate-dependent stereospecific process for the preparation of both β-1,4-<span>d</span>-Gulo and α-1,4-<span>d</span>-Manno oligosaccharides.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45047–45052 45047–45052"},"PeriodicalIF":3.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c05247","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609729","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
Correction to “Phytochemical Composition, Antioxidant, Antimicrobial, Antibiofilm, and Antiquorum Sensing Potential of Methanol Extract and Essential Oil from Acanthus polystachyus Delile (Acanthaceae)” 对 "Acanthus polystachyus Delile(刺桐科)甲醇提取物和精油的植物化学成分、抗氧化、抗微生物、抗生物膜和抗菌素传感潜力 "的更正
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acsomega.4c0674610.1021/acsomega.4c06746
Meron Getahun, Yonatan Nesru, Muktar Ahmed, Sunita Satapathy, Kebede Shenkute, Neeraj Gupta, Kero Jemal* and Mohammed Naimuddin*, 
{"title":"Correction to “Phytochemical Composition, Antioxidant, Antimicrobial, Antibiofilm, and Antiquorum Sensing Potential of Methanol Extract and Essential Oil from Acanthus polystachyus Delile (Acanthaceae)”","authors":"Meron Getahun,&nbsp;Yonatan Nesru,&nbsp;Muktar Ahmed,&nbsp;Sunita Satapathy,&nbsp;Kebede Shenkute,&nbsp;Neeraj Gupta,&nbsp;Kero Jemal* and Mohammed Naimuddin*,&nbsp;","doi":"10.1021/acsomega.4c0674610.1021/acsomega.4c06746","DOIUrl":"https://doi.org/10.1021/acsomega.4c06746https://doi.org/10.1021/acsomega.4c06746","url":null,"abstract":"","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45651 45651"},"PeriodicalIF":3.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06746","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609485","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
Boron-Intercalation Engineering toward Defected 1T Phase-Rich MoBxS2–x-Supported IrOx Clusters for Acidic OER 用于酸性 OER 的富 1T 相缺陷 MoBxS2-x 支持的氧化铁簇的硼钙化工程
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acs.langmuir.4c0311310.1021/acs.langmuir.4c03113
Jiawei Huang, Junyu Nie, Xinyi Li, Lu Zou, Yuanxing Wang, Hao Chen, Guanghua Wei and Junfang Cheng*, 
{"title":"Boron-Intercalation Engineering toward Defected 1T Phase-Rich MoBxS2–x-Supported IrOx Clusters for Acidic OER","authors":"Jiawei Huang,&nbsp;Junyu Nie,&nbsp;Xinyi Li,&nbsp;Lu Zou,&nbsp;Yuanxing Wang,&nbsp;Hao Chen,&nbsp;Guanghua Wei and Junfang Cheng*,&nbsp;","doi":"10.1021/acs.langmuir.4c0311310.1021/acs.langmuir.4c03113","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c03113https://doi.org/10.1021/acs.langmuir.4c03113","url":null,"abstract":"<p >The construction of supported Ir-based catalysts can effectively reduce the amount of Ir and generate a synergistic effect that enhances the oxygen evolution reaction (OER) activity and stability, making it one of the effective solutions for optimizing acidic OER catalysts. However, most reported metal oxide supports suffer from poor acid resistance and low electrical conductivity, which are critical for the OER process. Herein, we synthesized a nanosheet-like defected 1T phase-rich MoB<sub><i>x</i></sub>S<sub>2–<i>x</i></sub> via a molten salt calcination process, during which the 1T phase was formed, and B was intercalated into MoS<sub>2</sub> to protect the 1T phase structure during annealing procedure. After the wet refluxing process, IrO<sub><i>x</i></sub> clusters were uniformly deposited on the surface of MoB<sub><i>x</i></sub>S<sub>2–<i>x</i></sub> to form IrO<sub><i>x</i></sub>@MoB<sub><i>x</i></sub>S<sub>2–<i>x</i></sub>, which exhibited an overpotential of 168 mV at a current density of 10 mA cm<sup>–2</sup> with an Ir loading amount of 25.8 wt %. By comparing the OER performance of IrO<sub><i>x</i></sub>@MoB<sub><i>x</i></sub>S<sub>2–<i>x</i></sub>, IrO<sub><i>x</i></sub>@MoS<sub>2</sub>(Calcinated), and IrO<sub><i>x</i></sub>@MoS<sub>2</sub>, it is demonstrated that calcination and B intercalation of MoS<sub>2</sub> can significantly increase acidic OER performance. This work digs into the application of 1T-MoS<sub>2</sub> as an OER catalyst support, providing strategies for the phase and morphology control of 1T-MoS<sub>2</sub>.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23951–23961 23951–23961"},"PeriodicalIF":3.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609504","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
Knockout of the Muscle-Specific E3 Ligase MuRF1 Affects Liver Lipid Metabolism upon Dexamethasone Treatment in Mice 敲除肌肉特异性 E3 连接酶 MuRF1 会影响地塞米松治疗小鼠的肝脂代谢
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acsomega.4c0850110.1021/acsomega.4c08501
Laurent Mosoni*, Arno Germond, Cécile Coudy-Gandilhon, Mélodie Malige, Agnès Claustre, Coralie Delabrise, Mehdi Djelloul-Mazouz, Yoann Delorme, Julien Hermet, Pierre Fafournoux, Lydie Combaret, Cécile Polge, Anne-Catherine Maurin and Daniel Taillandier*, 
{"title":"Knockout of the Muscle-Specific E3 Ligase MuRF1 Affects Liver Lipid Metabolism upon Dexamethasone Treatment in Mice","authors":"Laurent Mosoni*,&nbsp;Arno Germond,&nbsp;Cécile Coudy-Gandilhon,&nbsp;Mélodie Malige,&nbsp;Agnès Claustre,&nbsp;Coralie Delabrise,&nbsp;Mehdi Djelloul-Mazouz,&nbsp;Yoann Delorme,&nbsp;Julien Hermet,&nbsp;Pierre Fafournoux,&nbsp;Lydie Combaret,&nbsp;Cécile Polge,&nbsp;Anne-Catherine Maurin and Daniel Taillandier*,&nbsp;","doi":"10.1021/acsomega.4c0850110.1021/acsomega.4c08501","DOIUrl":"https://doi.org/10.1021/acsomega.4c08501https://doi.org/10.1021/acsomega.4c08501","url":null,"abstract":"<p >In order to preserve muscle mass during catabolic states, investigators are actively searching for a specific inhibitor of MuRF1, the only known E3 ligase that can target muscle contractile proteins for their degradation. However, what would be the consequences of such inhibitors on other organs, both in the short and long term? Indeed, skeletal muscles can provide amino acids for liver gluconeogenesis, which is a crucial adaptation for maintaining glucose homeostasis upon elevated energy demands (e.g., during prolonged starvation). Comparing 3-month-old wild-type and MuRF1-KO mice, we measured tissue weights, liver glycogen, lipid and protein content, and liver biochemical composition using Fourier transform infrared (FTIR) spectrometry in control animals and in dexamethasone (Dex)-treated animals. Dex induces a catabolic situation with muscle atrophy and lipid deposits in the liver. In response to Dex treatment, liver glycogen, lipid, and protein content increased in wild type (WT) and MuRF1-KO mice. We found that MuRF1 deletion differentially affected organ weights, the liver of KO mice being hypertrophied upon Dex treatment when compared to WT mice. Upon Dex treatment, muscle mass was preserved in MuRF1-KO mice, and by contrast, liver lipid content increased more in these animals than in WT mice. PLS-DA analysis of FTIR showed that the levels of 13 markers were significantly altered in KO vs WT mice, witnessing profound alterations of lipid, protein, and glycogen content in the liver due to the absence of MuRF1. Using Nile red and oil red lipid staining, we also found that both membrane-linked lipids and intracellular lipid droplets were altered due to the absence of MuRF1. Altogether, it seems that when the liver is deprived of the possibility of obtaining amino acids from muscle upon Dex treatment, there is a concomitant increase in tissue weight and anabolic activity.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45610–45623 45610–45623"},"PeriodicalIF":3.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c08501","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609483","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
In Situ Formation of Ultrathin Zr-MOF Mixed-Matrix Membrane for Azeotropic Mixture Separation 原位形成用于共沸混合物分离的超薄 Zr-MOF 混合基质膜
IF 3.8 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acs.iecr.4c0312210.1021/acs.iecr.4c03122
Guozhen Liu, Zhenggang Wang, Xufang Fu, Binyu Mo, Yaxin Zhang, Guining Chen, Haipeng Zhu, Gongping Liu* and Wanqin Jin*, 
{"title":"In Situ Formation of Ultrathin Zr-MOF Mixed-Matrix Membrane for Azeotropic Mixture Separation","authors":"Guozhen Liu,&nbsp;Zhenggang Wang,&nbsp;Xufang Fu,&nbsp;Binyu Mo,&nbsp;Yaxin Zhang,&nbsp;Guining Chen,&nbsp;Haipeng Zhu,&nbsp;Gongping Liu* and Wanqin Jin*,&nbsp;","doi":"10.1021/acs.iecr.4c0312210.1021/acs.iecr.4c03122","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03122https://doi.org/10.1021/acs.iecr.4c03122","url":null,"abstract":"<p >Mixed matrix membranes (MMMs) combining the processability of the polymer with the transport properties of fillers have shown great potential for precise molecular separation (e.g., azeotropic mixture separation). Facile fabrication of ultrathin defect-free MMMs with high permeance and selectivity remains a grand challenge. Herein, we report a strategy of <i>in situ</i> formation of ultrathin zirconium–metal–organic framework (Zr-MOF) MMM for pervaporation separation of methanol/dimethyl carbonate (DMC) azeotropic mixture. Specifically, negatively charged ligands were preanchored in a positively charged chitosan (CS) polymer chain through electrostatic interactions to form ligand@polymer precursor, followed by <i>in situ</i> coordination with zirconium–oxo cluster to form Zr-MOF filler in the polymer solution. The as-synthesized Zr-MOF@CS solution was spin-coated on a porous substrate to form the ultrathin and defect-free MMM. The <i>in situ</i> incorporated MOF nanofillers highly enhanced the molecular-sieving and adsorption properties of the CS polymer membrane. The resulting Zr-MOF@CS MMM as thin as ∼130 nm showed excellent methanol/DMC separation performance with a total flux of 284.6 g·m<sup>–2</sup>·h<sup>–1</sup> and a separation factor of 331.1 under the methanol concentration in feed of 10 wt %, and particularly total flux of 2250 g·m<sup>–2</sup>·h<sup>–1</sup> and &gt;97.5 wt % methanol purity in the permeate for methanol/DMC (70/30, w/w) azeotropic mixtures, transcending the upper bound of state-of-the-art membranes, showing great potential for azeotropic separation. Moreover, this ultrathin MMM fabrication strategy was proven to be valid for various kinds of MOFs and polymers.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19775–19787 19775–19787"},"PeriodicalIF":3.8,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609318","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
Deep Eutectic Solvents for Essential-Oil Delivery and Bacterial-Infected Wound Healing 用于精油输送和细菌感染伤口愈合的深层共晶溶剂
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acs.langmuir.4c0273610.1021/acs.langmuir.4c02736
Yaping Liu, Di Wang, Yaoyao Lai, Jiahui Zou, Pei Yang, Zhenfeng Wu* and Wei He*, 
{"title":"Deep Eutectic Solvents for Essential-Oil Delivery and Bacterial-Infected Wound Healing","authors":"Yaping Liu,&nbsp;Di Wang,&nbsp;Yaoyao Lai,&nbsp;Jiahui Zou,&nbsp;Pei Yang,&nbsp;Zhenfeng Wu* and Wei He*,&nbsp;","doi":"10.1021/acs.langmuir.4c0273610.1021/acs.langmuir.4c02736","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c02736https://doi.org/10.1021/acs.langmuir.4c02736","url":null,"abstract":"<p >Essential oils (EOs) are volatile secondary metabolites of natural plants with multitudinous pharmacological activities. However, limited by their properties, such as low solubility, high volatility, photothermal instability, irritation, release, etc., EOs encounter significant challenges in pharmaceutical applications. Deep eutectic solvents (DESs) have been developed for the transdermal delivery of biomolecules and lipid-soluble drugs. Herein, a series of DES carriers were synthesized to improve the undesirable properties of EOs. We first optimized the DESs according to solubilization and aqueous dispersity using <i>Chimonanthus nitens</i> Oliv. EO (COEO) as a model EO. Then, the EO–DES formulations were diluted to prepare optimal aqueous EO–DES nanoformulations (AqEDs). Mechanically, hydrogen bonding allowed the DES to dissolve the complex components in EOs; meanwhile, the interaction forces, such as π<i>–</i>π stacking and hydrogen bonding, drove the EO–DES to assemble into nanostructures in aqueous conditions, forming AqEDs. Lastly, a case study demonstrated that clove EO-AqEDscould effectively promote methicillin-resistant <i>Staphylococcus aureus</i>-infected wound healing <i>in vivo</i>, along with biocompatibility. This AqED strategy provides a generalized platform for solubilizing EOs and improving their transdermal/topical delivery.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23766–23779 23766–23779"},"PeriodicalIF":3.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609630","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
Electrochemical Formation of Pb Microwires with Tunable Morphology on Liquid Metal Electrodes 在液态金属电极上电化学形成形态可调的铅微线
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acsomega.4c0916510.1021/acsomega.4c09165
Panjaphong Lertsathitphong, Sarunputt Limpijumnong, Mithran Somasundrum, Anthony P. O’Mullane and Benchaporn Lertanantawong*, 
{"title":"Electrochemical Formation of Pb Microwires with Tunable Morphology on Liquid Metal Electrodes","authors":"Panjaphong Lertsathitphong,&nbsp;Sarunputt Limpijumnong,&nbsp;Mithran Somasundrum,&nbsp;Anthony P. O’Mullane and Benchaporn Lertanantawong*,&nbsp;","doi":"10.1021/acsomega.4c0916510.1021/acsomega.4c09165","DOIUrl":"https://doi.org/10.1021/acsomega.4c09165https://doi.org/10.1021/acsomega.4c09165","url":null,"abstract":"<p >Liquid metal electrodes based on Ga are an emerging area of interest given their fluid properties which can have significant impact on electrochemical processes. Here we study metal electrodeposition, namely lead electrodeposition on the liquid metal electrodes, gallium (Ga) and galinstan (GaInSn), which was performed in two different Pb<sup>2+</sup> electrolytes (PbCl<sub>2</sub> and Pb(NO<sub>3</sub>)<sub>2</sub>) to investigate any differences in the nature of the electrodeposit. Cyclic voltammetry and chronoamperometry were used to study the characteristics, kinetics, and nucleation and growth mechanisms of the electrodeposition process. Analysis of this electrochemical data, such as current density-time transients and diffusion coefficients under different potentials, revealed distinct behaviors for Pb deposition at each liquid metal and electrolyte, influencing the final morphology of the lead deposit. It was also found that the electrolyte concentration and deposition time were found to impact the morphology of the electrodeposited Pb. Scanning electron microscopy and energy dispersive X-ray spectroscopy revealed various types of Pb microstructures, including wire, branch-like, and flake-like formations, highlighting the differences in lead structural development when deposited on liquid gallium and Galinstan electrodes.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"9 45","pages":"45641–45650 45641–45650"},"PeriodicalIF":3.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c09165","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609484","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
A Review on Adsorption in Nanoporous Adsorbents for Gas Decontamination: Space Applications and Beyond 纳米多孔吸附剂在气体净化中的吸附作用综述:空间应用及其他
IF 3.8 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acs.iecr.4c0205210.1021/acs.iecr.4c02052
Thibaud Aumond, Rajasekaran Manokaran, Julien Eck, Orcun Ergincan, Cécile Daniel, David Farrusseng* and Benoit Coasne*, 
{"title":"A Review on Adsorption in Nanoporous Adsorbents for Gas Decontamination: Space Applications and Beyond","authors":"Thibaud Aumond,&nbsp;Rajasekaran Manokaran,&nbsp;Julien Eck,&nbsp;Orcun Ergincan,&nbsp;Cécile Daniel,&nbsp;David Farrusseng* and Benoit Coasne*,&nbsp;","doi":"10.1021/acs.iecr.4c0205210.1021/acs.iecr.4c02052","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02052https://doi.org/10.1021/acs.iecr.4c02052","url":null,"abstract":"<p >This technical report presents the state of the art of experiments and molecular simulations on the adsorption of different molecule types into nanoporous adsorbents in the context of gas decontamination. While this review is primarily focused on vacuum decontamination for space applications, we consider the entire pressure range─from ultralow gas pressures to large gas pressures including pressures near saturating vapor pressures─to also cover gas decontamination relevant to other applications. In more detail, we consider the adsorption and trapping of molecules ranging from water, hydrocarbons, and siloxanes within existing materials such as active carbons, zeolites, mesoporous silicas, and metal organic frameworks. We first provide a short introduction to available experimental and molecular simulations methods that allow probing contaminant adsorption using nanoporous materials. Then, we discuss experimental and molecular simulation works by identifying simple essential parameters─the so-called descriptors─that allow describing and predicting the vapor pressure at which half pore filling occurs. In this report, we also present available theoretical frameworks which allow capturing gas adsorption in nanoporous solids. By restricting the discussion to physical models which are based on rigorous thermodynamic treatments, we identify available strategies that provide a consistent description of adsorption data as a function of relevant variables such as temperature, pressure, etc. In this context, we also provide thermodynamic schemes such as Derjaguin’s adsorption model and Polanyi’s adsorption potential theory which provide reliable strategies to describe and extrapolate adsorption under various thermodynamic conditions.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19375–19397 19375–19397"},"PeriodicalIF":3.8,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609326","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
Computer-Aided Silicone Rubber Polymer Design Based on Connectivity Index and Molecular Dynamics Methods 基于连接指数和分子动力学方法的计算机辅助硅橡胶聚合物设计
IF 3.8 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acs.iecr.4c0309610.1021/acs.iecr.4c03096
Zehua Ren, Sibei Ji, Xinyu Zheng, Li Zhou, Shiyang Chai*, Lei Zhang and Xu Ji, 
{"title":"Computer-Aided Silicone Rubber Polymer Design Based on Connectivity Index and Molecular Dynamics Methods","authors":"Zehua Ren,&nbsp;Sibei Ji,&nbsp;Xinyu Zheng,&nbsp;Li Zhou,&nbsp;Shiyang Chai*,&nbsp;Lei Zhang and Xu Ji,&nbsp;","doi":"10.1021/acs.iecr.4c0309610.1021/acs.iecr.4c03096","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03096https://doi.org/10.1021/acs.iecr.4c03096","url":null,"abstract":"<p >Silicone rubber is an important cushioning material in the aerospace industry. Currently, most silicone rubber materials are obtained through trial-and-error experiments, which are time-consuming and expensive. In this paper, a computer-aided molecular design (CAMD) framework based on connectivity index and molecular dynamics methods is proposed for the design of silicone rubber polymers. First, the product needs of the silicone rubber polymer are identified and converted into corresponding physical and chemical properties. Then, the silicone rubber polymer design problem is formulated as a model with evaluation criteria, structure constraints, and property constraints, in which the evaluation criteria are determined using the analytic hierarchy process. Subsequently, the established model is solved through the decomposition-based algorithm. Finally, a case study of the silicone rubber polymer is analyzed with the degree of polymerization and cross-linking density as structure variables to demonstrate the application of the CAMD framework.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19676–19692 19676–19692"},"PeriodicalIF":3.8,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609501","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
Determination of Binding Constants and Gas Phase Stabilities of Artificial Carbohydrate Receptor Complexes Using Electrospray Mass Spectrometry 利用电喷雾质谱法测定人工碳水化合物受体复合物的结合常数和气相稳定性
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-10-31 DOI: 10.1021/acsomega.4c0697610.1021/acsomega.4c06976
Alexander Weiß*, Manuel Dutschke, Carla Vogt and Jan Zuber*, 
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