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…strongly with increasing mutation-induced deformation. In contrast to the results for AlphaFold3, the Pearson correlation between a single physical feature, i.e. the change in solvent accessibility, and the mutation-induced deformation does not depend on the magnitude of the deformation. Our result…
…Stokes-Einstein (ESE) model, which advanced the state of the art in the physically consistent prediction of self-diffusion coefficients of solutes at infinite dilution in pure solvents by integrating the Stokes-Einstein equation with machine learning (ML). Here, we extend this approach to concentra…
Changing solvent inertia changes the kinetic part of a molecular Hamiltonian and hence its flow in phase space, without requiring a change in the potential energy surface (PES). We study how this affects product probability in a solute-… ▽ More Changing solvent inertia changes the kinetic part of a …
A hot Brownian particle is driven by thermal fluctuations from a nonuniformly heated solvent and therefore obeys a fluctuation-dissipation relation with a frequency-dependent effective temperature. Existing theories assume an incompressible solvent. We show that finite sound speed qualitatively chan…
Molecular solubility directly affects key aspects of molecular development such as reaction feasibility, formulation performance, separation efficiency, and solvent selection. However, experimental measurement across solutes,… ▽ More Molecular solubility directly affects key aspects of molecular dev…
…framework for inferring collective ion diffusion by combining the exact window projection with an inertial independent-particle reference, and apply it to a symmetric 1:1 solvent primitive model. The growth of ion-number fluctuations between the ballistic and plateau regimes appears nearly ideal, b…
Sequential thermal evaporation (sTE) is emerging as a solvent-free route to high-quality mid-bandgap perovskites, but its extension to mixed-halide wide-bandgap (WBG) and Sn-Pb narrow-bandgap (NBG) absorbers for all-perovskite tandem solar cells (TSCs) remains limited by an incomplete understanding …
Quantum simulation of chemistry in realistic environments is constrained by the orbital cost of explicit solvent, ions, and other surroundings. We present the quantum-classical effective fragment potential (Q-EFP) method, in which a chemically active region is treated with a quantum algorithm and th…
This article is from Osong Public Health and Research Perspectives , volume 4 . Abstract Objectives: This study was conducted to investigate the antioxidant potential of methanol extract and its derived fractions (hexane, ethyl acetate, butanol, and aqueous) of fruits of Monotheca buxifolia (Falc.) …
Color Photothermographic Elements Comprising Phenolic Thermal Solvents Click the links below to access the documents in this item: 09858398-2001-05-16-00001-WCLM pdf stream 09858398-2001-05-16-00002-WFEE pdf stream 09858398-2001-05-16-00003-WFEE pdf stream 09858398-2001-05-16-00004-OATH pdf stream 0…
128 pages : 25 cm "'Inhalants and solvents: sniffing disaster' tells the story of these two individuals as well as others who have sniffed, bagged, or ingested inhalants in other forms. You'll also learn how inhalants and solvents act on the brain and body, producing the feelings sought by their use…
xiii, 921 pages : 25 cm "This book contains the papers presented at the special symposium celebrating the 50th anniversary of the Organic Coatings and Plastics Chemistry Division of the American Chemical Society which was held in Atlantic City, New Jersey, September 8-13, 1974." Includes bibliograph…
vii, 528 p. 26 cm Translation of Les réactions chimiques dans les solvants et les sels fondus Includes bibliographies
SUbility or supwasitunUd Belt Solutlow, by 14.Tovbul a* &.Now"t 10 pr -RWSUX, per,, Situr Fix Xbft. TOIL 3Mm;.a9k9; , V-'- -.11-1-863-&M. . F.,MA R-2%0,1SOL4%1 59$~?, Y'3 f13 221SHORYGIN P. P.Ca-IThe effect of intermolecular interaction on the spectra of thecombination of light scattering (Raman spe…
Efforts to commercialize organic solar cells (OSCs) by developing roll-to-roll compatible modules have encountered challenges in optimizing printing processes to attain laboratory-level performance in fully printable OSC architectures. In this study, we present efficient OSC modules fabricated solel…
Electrospinning is one of the simplest techniques for obtaining polymer nano fibers. Nanofibers have large surface area to volume ratio and hence have excellent application potential in sensors, filter design etc. Polyaniline (PANI) is the well-known and widely studied conducting polymer, which howe…
Abstract The activity of lithium ions in electrolytes depends on their solvation structures. However, the understanding of changes in Li+ activity is still elusive in terms of interactions between lithium ions and solvent molecules. Herein, the chelating effect of lithium ion by forming [Li(15C5)]+ …
This work presents the development and application of an innovative green supramolecular deep eutectic solvent (SUPRADES)-based DLLME approach for the extraction and quantification of melamine in milk matrices. For this purpose, thymol and nonanoic acid were combined to create a hydrophobic DES, whi…
Introduction: This study assesses the environmental impacts of mannosylerythritol lipids (MELs) production for process optimization using life cycle assessment (LCA). MELs are glycolipid-type microbial biosurfactants with many possible applications based on their surface-active properties. They are …
Current biodiesel production is costly, in part due to the catalysts added during transesterification and later washed out. We have previously shown that intact rapeseed shells can be ball-milled with an alcohol to produce biodiesel without an added catalyst. Here, we report on the activation and id…
This study describes the application of the Art of Scientific and Technological Search to strategically analyze areas of technological and industrial development. Application of scientific search strategies such as the creation of Patent Landscape has been shown to be useful for writing research pro…
Objective: To investigate antidiabetic and antioxidant activities of the extract and fractions from Vietnamese red seaweed Laurencia dendroidea. Methods: The seaweed Laurencia dendroidea was extracted by using microwave-assisted extraction method in 80% methanol. The seaweed extract was then fractio…
This study investigates the efficiency and effectiveness of green solvents in chemical reactions, comparing their performance to traditional solvents in terms of reaction yield, time, selectivity and environmental impact. Green solvents such as water, ionic liquids, deep eutectic solvents (DES), and…
Tungsten is a scarce and valuable metal with a wide range of applications. Currently, the recovery of tungsten from scheelite concentrates involves the use of strong acids, alkalis, and/or high temperatures (roasting). Deep Eutectic Solvents (DES) are proposed as an environmentally friendly alternat…
This study which carried out on some indicators including (Phenol red and Bromo phenol Blue). Different solvents were used including (Methanol, propanol, DMF and DMSO). The effect of solvents on the λ max and absorbance values were investigated. The results recorded that the &lambda…
Schiff bases are known to possess antiviral, antifungal, antibacterial, enzymatic and other significant biological properties. They also chelate metals to form complexes that have been used in industrial processes. Schiff bases are also important in modern energy applications due to their photometri…
Precision cleaning solvents for aerospace components and oxygen fuel systems, including currently used Vertrel-MCA, have a negative environmental legacy, high global warming potential, and have polluted cleaning sites. Thus, alternative solvents and technologies are being investigated with the aim o…
Because of health and environmental concerns, many regulations have been passed in recent years regarding the use of chlorinated solvents. The Oak Ridge Y-12 Plant has had an active program to find alternatives for these solvents used in cleaning applications for the past 7 years. During this time f…
Screening of inorganic compounds as solvents for electrolytes in high energy density battery systems
Components in the aerospace industry must perform with accuracy and precision under extreme conditions, and surface contamination can be detrimental to the desired performance, especially in cases when the components come into contact with strong oxidizers such as liquid oxygen. Therefore, precision…
Aerospace machinery used in liquid oxygen (LOX) fuel systems must be precision cleaned to achieve a very low level of non-volatile residue (< 1 mg0.1 m2), especially flammable residue. Traditionally chlorofluorocarbons (CFCs) have been used in the precision cleaning of LOX systems, specifically CFC …
Spore recovery form cured silicone potting compounds using amine solvents to degrade the cured polymers was investigated. A complete list of solvents and a description of the effect of each on two different silicone polymers is provided.
For many years, chlorofluorocarbon (CFC) and chlorocarbon solvents have played an important part in aerospace operations. These solvents found extensive use as cleaning and analysis (EPA) solvents in precision and critical cleaning. However, CFCs and chlorocarbon solvents have deleterious effects on…
<h4>Rationale</h4>Nitrogen isotope values have been widely used for tracing ancient biogeochemical processes, but contaminant-sensitive materials, such as Precambrian sedimentary rocks, meteorites, or returned extraterrestrial samples, often have low nitrogen levels and are thus vulnerable to modern…
Fluorescent semiconducting single-walled carbon nanotubes (SWCNTs) hold considerable promise for photonics. Furthermore, their optical characteristics can be improved by functionalization, which generates additional spectral features. However, the importance of the solvent in which the SWCNT modific…
Water-soluble alanine-functionalized perylene diimide derivatives (PDI-Ala) were synthesized by introducing alanine units at the imide positions of the PDI framework. Their photoluminescence properties and supramolecular aggregation behavior were investigated in solvents of varying polarity. Chiral …
Solvent effects govern the majority of chemical transformations, yet experimentally accessible and universally applicable tools for predicting solvating ability remain limited. Here, we introduce iSolv, a simple but information-rich solvatochromic descriptor derived from the color of diluted iodine …
Molecular Solar Thermal (MOST) energy storage employs photoswitches to offer a closed-cycle means of capturing, storing, and utilizing solar energy in an emission-free system. In this work, we conduct a systematic solvent screening to elucidate how different media affect the photoisomerization of a …
<h4>Introduction</h4>The present study aimed to evaluate the bond strength between calcium-enriched mixture (CEM) cement and dentin exposed to various gutta-percha solvents.<h4>Method</h4>A total of 105 dentin discs were obtained from the mid-root of single-rooted human teeth. The lumens were instru…
Solvents are essential components for organic synthesis and are widely used across various industries. However, conventional solvents are frequently toxic volatile organic compounds (VOCs) that contribute significantly to waste generation and environmental pollution. This has driven the need to deve…
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