Amine-phosphate specific interactions within nanochannels: binding behavior and nanoconfinement effects
G Laucirica, G Pérez-Mitta… - The Journal of …, 2019 - ACS Publications
… a one order of magnitude increase in the effective constants for … that phosphate anions
promote the protonation of amino … where −COO – means the carboxylate groups from the etched …
promote the protonation of amino … where −COO – means the carboxylate groups from the etched …
Amino-functionalized Al-MIL-53 for dimethoate pesticide removal from wastewater and their intermolecular interactions
… MIL-53(Al) contains AlO 4 (OH) 2 octahedron and the carboxyl … The electrostatic interactions
between quaternary amine … The amino group on Al-BDC MOFs has significantly enhanced …
between quaternary amine … The amino group on Al-BDC MOFs has significantly enhanced …
Synthesis of α-aminophosphonate based sorbents–Influence of inserted groups (carboxylic vs. amine) on uranyl sorption
MM Rashad, IE El-Sayed, AA Galhoum… - Chemical Engineering …, 2021 - Elsevier
… ortho-substituted with a carboxylic acid or, o-aminobenzoic acid… to primary and secondary
amine groups increase at 1300–… ; amine groups have high pK a values (9.21 for amino groups …
amine groups increase at 1300–… ; amine groups have high pK a values (9.21 for amino groups …
Hydrogen bonding-orientated selectivity of phosphate adsorption by imine-functionalized adsorbent
… amine-based adsorbents, N double bond C@CMPS exhibited much higher adsorption
capacity and selectivity toward phosphate [P(V)]; such improvement … Carboxyl group has been …
capacity and selectivity toward phosphate [P(V)]; such improvement … Carboxyl group has been …
Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp3–sp2 Carbon–Carbon Bonds
… article in any medium or format within the parameters below: … in the development of amine–acid
coupling reactions that … 4 to improve yield and RuCl 3 to improve selectivity for the C–C …
coupling reactions that … 4 to improve yield and RuCl 3 to improve selectivity for the C–C …
Exploration of Experimental, Theoretical, Molecular Docking, and Electronic Excitation Studies of Carboxylate-Appended (2-Pyridyl)Alkylamine Ligand†
… ligands (cyanates, cyanides, amines, or pyridines) in … The geometric parameters, including
bond angles and bond … We use cookies to improve your website experience. To learn about …
bond angles and bond … We use cookies to improve your website experience. To learn about …
[HTML][HTML] A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization
E Duboue-Dijon, M Javanainen, P Delcroix… - … Journal of Chemical …, 2020 - pubs.aip.org
… the charged molecular groups, we qualitatively improve the … region, ie, amine, choline,
carboxyl, phosphate, and carbonyl … positive and a negative amino acid directly interact, constitute …
carboxyl, phosphate, and carbonyl … positive and a negative amino acid directly interact, constitute …
Improved parameterization of protein–DNA interactions for molecular dynamics simulations of PCNA diffusion on DNA
… interactions between basic amino acids and DNA phosphate … –phosphate (D), and
guanidinium–carboxylate (E) interaction … Similarly, we increased the LJ σ parameters for the amine …
guanidinium–carboxylate (E) interaction … Similarly, we increased the LJ σ parameters for the amine …
A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions
… Possible applications and further improvements of these … , compared to amino acids, C 6
-AAM has no carboxyl, thus … , the bonding parameters for Al-carboxylate and Al-phosphate were …
-AAM has no carboxyl, thus … , the bonding parameters for Al-carboxylate and Al-phosphate were …
Multiaction Pt (IV) carbamate complexes can codeliver Pt (II) drugs and amine containing bioactive molecules
… that release bioactive molecules having amino groups. … Using only bioactive ligands with
carboxylates significantly limits the … than the original amines due to increased hydrophilicity and …
carboxylates significantly limits the … than the original amines due to increased hydrophilicity and …