Deprotonation-Induced Color Modulation in N,N'-Dihydroxynaphthalenediimide-Based Organic Crystals.
Sign Up to like & getrecommendations! Published in 2023 at "ChemPlusChem"
DOI: 10.1002/cplu.202300140
Abstract: N,N'-dihydroxy-1,4,5,8-naphthalenetetracarboxdiimide (NDI-(OH)2) has attracted much attention in recent years, because its doubly deprotonated state, (O-NDI-O)2-, has metal-coordination ability and characteristic electronic transition useful for designing electronic and optical functions. In contrast, a molecular crystal with… read more here.
Keywords: modulation dihydroxynaphthalenediimide; induced color; deprotonation induced; deprotonation ... See more keywords
Phase transformations in a complete monolayer of 4,4′-biphenyl-dicarboxylic acid on Ag(0 0 1)
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.149115
Abstract: Abstract Self-assembly is a bottom-up approach to prepare nanostructures with tailored properties. However, to utilize them as functional 2D layers, it is mandatory to understand their formation and its kinetics. Here, we describe the phase… read more here.
Keywords: monolayer; dicarboxylic acid; phase transformations; deprotonation ... See more keywords
Nanotubular polypyrrole: Reversibility of protonation/deprotonation cycles and long-term stability
Sign Up to like & getrecommendations! Published in 2019 at "European Polymer Journal"
DOI: 10.1016/j.eurpolymj.2019.03.037
Abstract: Abstract An alteration of electrical conductivity of the conducting polymers from a conducting to a non-conducting form and vice versa is a feature of the high importance. Here, the changes in conductivity of the polypyrrole… read more here.
Keywords: reversibility protonation; nanotubular polypyrrole; protonation deprotonation; deprotonation ... See more keywords
Synthesis of Pd phosphine-imine complexes and their reactivity with base
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2018.10.025
Abstract: Abstract Two phosphine-imine ligands were synthesized in which the heteroatoms were connected by an ethyl (1a) or a propyl (1b) linker. Both ligands were reacted with PdCl(Me)(COD), which gave the square planar complexes PdCl(Me)(κ2-P,N-1a) (2a)… read more here.
Keywords: imine complexes; synthesis phosphine; phosphine imine; deprotonation ... See more keywords
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1–42) Amyloid Fibrils
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c09231
Abstract: Alzheimer’s disease is a neurodegenerative disorder associated with the deposition of misfolded aggregates of the amyloid-β protein (Aβ). Aβ(1–42) is one of the most aggregation-prone components in senile plaques of AD patients. We demonstrated that… read more here.
Keywords: shift induced; deprotonation; atomic resolution; resolution insights ... See more keywords
Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b08713
Abstract: We report results of detailed empirical valence bond simulations that model the effect of several amino acid substitutions on the thermodynamic (ΔG°) and kinetic activation (ΔG⧧) barriers to deprotonation of dihydroxyacetone phosphate (DHAP) and d-glyceraldehyde… read more here.
Keywords: triosephosphate isomerase; side chains; deprotonation; wild type ... See more keywords
Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.
Sign Up to like & getrecommendations! Published in 2021 at "Chemical communications"
DOI: 10.1039/d1cc02691g
Abstract: A new series of π-extended quinone derivatives containing a pyrrole bridge exhibited NH/OH-type tautomerization and anion binding along with deprotonation that induced near-infrared absorption and ion-pairing assemblies. read more here.
Keywords: pyrrole bridged; electronic systems; bridged quinones; systems modulate ... See more keywords
Modulation of the electronic states and magnetic properties of nickel catecholdithiolene complex by oxidation-coupled deprotonation
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Materials Chemistry C"
DOI: 10.1039/d1tc01111a
Abstract: Electronic-state modulation utilizing the electrostatic properties and dynamics of hydrogen-bonding (H-bonding) protons is an effective strategy for realizing novel electron–proton-coupled functionalities. However, material developments based on this strategy have been limited to a few π-electron… read more here.
Keywords: nickel catecholdithiolene; oxidation; electron; proton coupled ... See more keywords
Dehydrogenation versus deprotonation of disaccharide molecules in vacuum: a thorough theoretical investigation
Sign Up to like & getrecommendations! Published in 2022 at "Royal Society Open Science"
DOI: 10.1098/rsos.220436
Abstract: Dehydrogenation and deprotonation of sucrose and trehalose molecules in vacuum is theoretically studied by using ab initio calculations in the framework of the density functional theory. The differences in the structural, electronic, energetic and vibrational… read more here.
Keywords: molecules vacuum; hydrogen atom; deprotonated molecules; hydrogen ... See more keywords
Deprotonation Dynamics of Guanine Radical Cations.
Sign Up to like & getrecommendations! Published in 2021 at "Photochemistry and photobiology"
DOI: 10.1111/php.13540
Abstract: This review is dedicated to guanine radical cations (G+ )• that are precursors to oxidatively generated damage to DNA. (G+ )• are unstable in neutral aqueous solution and tend to lose a proton. The deprotonation… read more here.
Keywords: deprotonation dynamics; dna; dynamics guanine; radical cations ... See more keywords
Dissociation Mode of the O–H Bond in Betanidin, pKa-Clusterization Prediction, and Molecular Interactions via Shape Theory and DFT Methods
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24032923
Abstract: Betanidin (Bd) is a nitrogenous metabolite with significant bioactive potential influenced by pH. Its free radical scavenging activity and deprotonation pathway are crucial to studying its physicochemical properties. Motivated by the published discrepancies about the… read more here.
Keywords: pka; energy; deprotonation; shape theory ... See more keywords