materials studio v4 4 software package (Accelrys)
86
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Accelrys
materials studio v4 4 software package
Materials Studio V4 4 Software Package, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/material+studio+software/materials+software+studio/pm42271161-141-7-12
Average 86 stars, based on 1 article reviews
Materials Studio V4 4 Software Package, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/material+studio+software/materials+software+studio/pm42271161-141-7-12
Average 86 stars, based on 1 article reviews
materials studio v4 4 software package - by Bioz Stars,
2026-09
86/100 stars
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Software:Article Title: Spontaneous Formation of Robust Hybrid Organic/Inorganic Interface for Advancing Lithium Metal Batteries. Article Snippet: Designing a high-performance solid electrolyte interphase (SEI) is crucial for advancing lithium metal batteries (LMBs).. Herein, we propose a hybrid SEI comprising a thin LiF top layer and a bulk layer of a conjugated-ring organic compound mixed with LiF via the self-limiting reaction between the 1-ethyl-3-methylimidazolium (EMIMPF6) additive and Li0 anode.. This method enabled the lithium anode to afford higher current density. Article Title: Spatial and Electrostatic Dual‐Confinement in Hierarchical Hollow Bi‐Bi₂O₃@Carbon Nanofibers for Dendrite Suppression and Side Reaction Mitigation in Aqueous Zinc‐Ion Batteries Article Snippet: The widespread application of aqueous zinc-ion batteries (AZIBs) is hindered by anode dendrite formation and side reactions, reducing cycling life and performance.. This study introduces Bi-Bi2O3-loaded carbon nanofibers (Bi-Bi2O3@CNF) with hierarchical hollow structures and surface grooves fabricated via electrospinning, thermal treatment, and in situ growth.. Experimental characterization and density functional theory reveal that the high surface area and fibrous network of Bi-Bi2O3@CNF enhance electron transport and electrolyte distribution, effectively reducing ohmic resistance and concentration polarization. Article Title: Synergistic effects between binary nonionic surfactants Span 80 and Triton X-100 in stabilizing high internal phase water-in-oil emulsions for coal slime flotation Article Snippet: The interactions underpin self-assembly of polyoxyethylene sorbitan monooleate (Span 80) and p-octyl polyethylene glycol phenylether (Triton X-100) is of fundamental interest and also critical to their applications but is poorly understood.. Herein, the mechanism of synergistic effect of binary surfactant mixture composed of Span 80 and Triton X-100 in high internal phase water-in-oil emulsions during coal slime flotation was investigated.. Theoretical calculation, including critical micelle concentration and interaction parameter in aqueous solution, reveal that the positive synergy between Span 80 and Triton X-100 was reached at mass ratios close to 7:3 and could effectively reduce the surface tension of the oil-water interface, forming the stable micelles in aqueous solution. Article Title: Exploring divergent gas separation behavior in MXene-PDMS asymmetric composite and symmetric dense membranes with a quaternary gas mixture (H2/CO2/N2/CH4): Effect of MXene alignment Article Snippet: Membrane-based separation is expected to offer competitive advantages in the separation and purification of H2based gas streams due to its high energy efficiency and simple fabrication.. However, polymer-based membrane suffers from a Robeson-related permeability/selectivity trade-off, which requires the incorporation of advanced filler materials (a.k.a. mixed-matrix membranes, MMM) to increase the separation performance.. However, conventional fabrication of MMMs typically produces a thick selective layer that limits the membrane flux. Article Title: Synthesis, characterization, thermal properties, DFT study and biological simulation of mono Cu(II) chelate with sulfamethoxazole derivative Article Snippet: The formation of an azo compound by transforming sulfamethoxazole into a diazonium salt is presented in this work.. Sulfamethoxazole and 5,5-dimethylcyclohexane-1,3‐dione are combined to form the diazonium salt ligand (HL) 4-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide.. A solvent mixture of ethanol and water was used to purify the azo dye precipitate via crystallization techniques. Article Title: Cracking aryl ether bonds of lignin by γ-valerolactone (GVL) in coordination with acid lithium bromide molten salt system. Article Snippet: The chemical bond cleavage of lignin is a research focus for achieving depolymerized lignin for such applications as adhesives, fuels, fertilizers, etc.. The depolymerization of an industrially available sustainable material, i.e., industrial alkali lignin, in LiBr⋅3H2O/HBr-γ-valerolactone (GVL) was systematically investigated in this study.. It was observed that using 3/1 mL/g of HBr/lignin and 8/1 mL/g of GVL/lignin at 110 C for 90 min, i.e., optimized conditions, resulted in lignin derivatives with an Mw of 1889 g/mol and Mn of 895 g/mol. Article Title: Experimental Study on the Optimization of CO 2 Flooding Miscibility-Reducing Agents for Low Permeability Reservoirs Article Snippet: .. For the simulations, six molecular models were constructed using Article Title: Supramolecular calix[6]arene-COF with pocket-like cavities for host-guest recognition-based SERS detection of tryptamine and seafood freshness monitoring. Article Snippet: Monitoring seafood freshness is critical for ensuring nutritional value and food quality, but targeted analysis in complex matrices remains challenging.. Herein, a thiol-functionalized calix[6]arene covalent organic framework grafted with AuNPs, denoted as CX6-SCOF-AuNPs, was strategically designed for rapid, sensitive and selective detection of tryptamine in seafood by surface-enhanced Raman spectroscopy (SERS).. CX6-SCOF-AuNPs featured extensive pocket-like hydrophobic cavities integrated within an ordered porous structure, enabling specific capture of tryptamine with exceptional enrichment capacity (203.4 mg/g) and rapid adsorption kinetics (within 2 min). Functional Assay:Article Title: Spatial and Electrostatic Dual‐Confinement in Hierarchical Hollow Bi‐Bi₂O₃@Carbon Nanofibers for Dendrite Suppression and Side Reaction Mitigation in Aqueous Zinc‐Ion Batteries Article Snippet: The widespread application of aqueous zinc-ion batteries (AZIBs) is hindered by anode dendrite formation and side reactions, reducing cycling life and performance.. This study introduces Bi-Bi2O3-loaded carbon nanofibers (Bi-Bi2O3@CNF) with hierarchical hollow structures and surface grooves fabricated via electrospinning, thermal treatment, and in situ growth.. Experimental characterization and density functional theory reveal that the high surface area and fibrous network of Bi-Bi2O3@CNF enhance electron transport and electrolyte distribution, effectively reducing ohmic resistance and concentration polarization. Article Title: Synthesis, characterization, thermal properties, DFT study and biological simulation of mono Cu(II) chelate with sulfamethoxazole derivative Article Snippet: The formation of an azo compound by transforming sulfamethoxazole into a diazonium salt is presented in this work.. Sulfamethoxazole and 5,5-dimethylcyclohexane-1,3‐dione are combined to form the diazonium salt ligand (HL) 4-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide.. A solvent mixture of ethanol and water was used to purify the azo dye precipitate via crystallization techniques. Binding Assay:Article Title: Spatial and Electrostatic Dual‐Confinement in Hierarchical Hollow Bi‐Bi₂O₃@Carbon Nanofibers for Dendrite Suppression and Side Reaction Mitigation in Aqueous Zinc‐Ion Batteries Article Snippet: The widespread application of aqueous zinc-ion batteries (AZIBs) is hindered by anode dendrite formation and side reactions, reducing cycling life and performance.. This study introduces Bi-Bi2O3-loaded carbon nanofibers (Bi-Bi2O3@CNF) with hierarchical hollow structures and surface grooves fabricated via electrospinning, thermal treatment, and in situ growth.. Experimental characterization and density functional theory reveal that the high surface area and fibrous network of Bi-Bi2O3@CNF enhance electron transport and electrolyte distribution, effectively reducing ohmic resistance and concentration polarization. Construct:Article Title: Experimental Study on the Optimization of CO 2 Flooding Miscibility-Reducing Agents for Low Permeability Reservoirs Article Snippet: .. For the simulations, six molecular models were constructed using Article Title: Supramolecular calix[6]arene-COF with pocket-like cavities for host-guest recognition-based SERS detection of tryptamine and seafood freshness monitoring. Article Snippet: Monitoring seafood freshness is critical for ensuring nutritional value and food quality, but targeted analysis in complex matrices remains challenging.. Herein, a thiol-functionalized calix[6]arene covalent organic framework grafted with AuNPs, denoted as CX6-SCOF-AuNPs, was strategically designed for rapid, sensitive and selective detection of tryptamine in seafood by surface-enhanced Raman spectroscopy (SERS).. CX6-SCOF-AuNPs featured extensive pocket-like hydrophobic cavities integrated within an ordered porous structure, enabling specific capture of tryptamine with exceptional enrichment capacity (203.4 mg/g) and rapid adsorption kinetics (within 2 min). |