Results 81 to 90 of about 351,052 (293)
The Use of Hammett Constants to Understand the Non-Covalent Binding of Aromatics
Computational and Structural Biotechnology Journal, 2012 Non-covalent interactions of aromatics are important in a wide range of chemical and biological applications. The past two decades have seen numerous reports of arene-arene binding being understood in terms Hammett substituent constants, and similar ...
Laura K. E. Hardebeck +3 more
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Accurate quantum-centric simulations of intermolecular interactions
Communications PhysicsModelling and simulating non-covalent interactions is challenging, as they are inherently weak, dynamic, and system-specific. Common predictive methods often require trading the accuracy for reducing the otherwise cumbersome computational cost.
Danil Kaliakin +12 more
doaj +1 more source
The Scaled-Charge Additive Force Field for Amino Acid Based Ionic Liquids
, 2014 . Ionic liquids (ILs) constitute an emerging field of research. New ILs are continuously introduced involving more and more organic and inorganic ions.
Chaban, Vitaly V., Fileti, Eudes Eterno
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Advanced Engineering Materials, Volume 27, Issue 6, March 2025.ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur +5 more
wiley +1 more source
Supramolecular organic and inorganic photochemistry: Radical pair recombination in micelles, electron transfer on starburst dendrimers, and the use of DNA as a molecular wire [PDF]
, 1995 Supramolecular chemistry is concerned with systems for which noncovalent interactions become significant or dominate in determining the chemistry of the guedhost systems.
Turro, Nicholas J.
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Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials
Advanced Engineering Materials, EarlyView.Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai +2 more
wiley +1 more source
Chemistry and crystal engineering
IUCrJRecent studies published in the Chemistry and crystal engineering section of IUCrJ emphasize developments both in methodology and techniques as well as the diverse range of classes of compounds being studied and of problems being tackled.
Susan A. Bourne
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The Monomer Electron Density Force Field (MEDFF) : a physically inspired model for noncovalent interactions [PDF]
, 2016 We propose a methodology to derive pairwise-additive noncovalent force fields from monomer electron densities without any empirical input. Energy expressions are based on the symmetry-adapted perturbation theory (SAPT) decomposition of interaction ...
Van Speybroeck, Veronique +3 more
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Zein‐Based Adhesives: Sustainable Extraction and Application in Bioadhesive Technologies
Advanced Engineering Materials, EarlyView.Zein is extracted from corn gluten meal using a simple and scalable process with high yield (~90%). The resulting protein is applied in bioadhesives modified with Ca2+ and Fe3+ ions, exhibiting substrate‐dependent adhesion. The findings demonstrate competitive bonding performance and highlight the role of ionic interactions in tuning adhesion ...
Paula Bertolino Sanvezzo +3 more
wiley +1 more source
Metal-Based Drug–DNA Interactions and Analytical Determination Methods
MoleculesDNA structure has many potential places where endogenous compounds and xenobiotics can bind. Therefore, xenobiotics bind along the sites of the nucleic acid with the aim of changing its structure, its genetic message, and, implicitly, its functions ...
Adriana Corina Hangan +5 more
doaj +1 more source