The influence of hydrogen bonding interactions on the C–H bond activation step in class I ribonucleotide reductasesElectronic supplementary information (ESI) available: Energies and structures of stationary points for studied reactions. See http://www.rsc.org/suppdata/ob/b2/b210536p/

2003 ◽  
Vol 1 (4) ◽  
pp. 692-699 ◽  
Author(s):  
Hendrik Zipse
Keyword(s):  
Hydrogen Bonding ◽  
Bond Activation ◽  
Class I ◽  
Stationary Points ◽  
Supplementary Information ◽  
Hydrogen Bonding Interactions

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

scholarly journals Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation

RSC Advances ◽  
2020 ◽  
Vol 10 (64) ◽  
pp. 39033-39036
Author(s):  
Ayano Awatani ◽  
Masaaki Suzuki
Keyword(s):  
Hydrogen Bonding ◽  
Cyanuric Chloride ◽  
Nucleophilic Substitutions ◽  
Hydrogen Bonding Interactions ◽  
Triazine Derivatives

Triply β-dicarbonyl-embedded 1,3,5-triazine derivatives result in formation of circular linkage of resonance-assisted hydrogen bonding interactions, which can be regarded as well-delocalized resonance hybrids.

Selective Hydrogen Bonding Controls Temperature Response of Layer-by-Layer Upper Critical Solution Temperature Micellar Assemblies

Soft Matter ◽  
2021 ◽  
Author(s):  
Aliaksei Aliakseyeu ◽  
Victoria Albright ◽  
Danielle Yarbrough ◽  
Samantha Hernandez ◽  
Qing Zhou ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Methacrylic Acid ◽  
Temperature Response ◽  
Solution Temperature ◽  
Layer By Layer ◽  
Critical Solution Temperature ◽  
Hydrogen Bonding Interactions ◽  
Upper Critical Solution Temperature ◽  
Lbl Films

This work establishes a correlation between the selectivity of hydrogen-bonding interactions and the functionality of micelle-containing layer-by-layer (LbL) assemblies. Specifically, we explore LbL films formed by assembly of poly(methacrylic acid)...

scholarly journals Boosting Performance of Self-Polarized Fully Printed Piezoelectric Nanogenerators via Modulated Strength of Hydrogen Bonding Interactions

Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1908
Author(s):  
Hai Li ◽  
Sooman Lim
Keyword(s):  
Hydrogen Bonding ◽  
Composite Film ◽  
High Performance ◽  
Composite Films ◽  
Β Phase ◽  
Hydrogen Bonding Interactions ◽  
Barium Titanate Nanoparticles ◽  
Surface Modified ◽  
Piezoelectric Devices ◽  
Piezoelectric Nanogenerators

Self-polarized piezoelectric devices have attracted significant interest owing to their fabrication processes with low energy consumption. Herein, novel poling-free piezoelectric nanogenerators (PENGs) based on self-polarized polyvinylidene difluoride (PVDF) induced by the incorporation of different surface-modified barium titanate nanoparticles (BTO NPs) were prepared via a fully printing process. To reveal the effect of intermolecular interactions between PVDF and NP surface groups, BTO NPs were modified with hydrophilic polydopamine (PDA) and hydrophobic 1H,1H,2H,2H-perfluorodecyltriethoxysilane (PFDTES) to yield PDA-BTO and PFD-BTO, respectively. This study demonstrates that the stronger hydrogen bonding interactions existed in PFD-BTO/PVDF composite film comparative to the PDA-BTO/PVDF composite film induced the higher β-phase formation (90%), which was evidenced by the XRD, FTIR and DSC results, as well as led to a better dispersion of NPs and improved mechanical properties of composite films. Consequently, PFD-BTO/PVDF-based PENGs without electric poling exhibited a significantly improved output voltage of 5.9 V and power density of 102 μW cm−3, which was 1.8 and 2.9 times higher than that of PDA-BTO/PVDF-based PENGs, respectively. This study provides a promising approach for advancing the search for high-performance, self-polarized PENGs in next-generation electric and electronic industries.

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