[HTML][HTML] Enhanced semiempirical QM methods for biomolecular interactions
ND Yilmazer, M Korth - Computational and structural biotechnology journal, 2015 - Elsevier
Recent successes and failures of the application of 'enhanced'semiempirical QM (SQM)
methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) …
methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) …
Structure, energy, vibrational spectrum, and Bader's analysis of π⋯ H hydrogen bonds and H− δ⋯ H+ δ dihydrogen bonds
BG de Oliveira - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
In this paper, the intermolecular structural study asserted by the vibrational analysis in the
stretch frequencies of hydrogen bonds (π⋯ H) and dihydrogen bonds (H− δ⋯ H+ δ) have …
stretch frequencies of hydrogen bonds (π⋯ H) and dihydrogen bonds (H− δ⋯ H+ δ) have …
Study on the bonding performance and mildew resistance of soy protein-based adhesives enhanced by hydroxymethyl l-tyrosine cross-linker
Z Lei, K Jiang, Y Chen, M Yi, Q Feng, H Tan, J Qi… - International Journal of …, 2022 - Elsevier
Soy protein-based adhesives are biodegradable and renewable and are widely used in
wood based products. However, the application of soy protein (SP) adhesives is also limited …
wood based products. However, the application of soy protein (SP) adhesives is also limited …
Benzoxazine/triphenylamine‐based dendrimers prepared through facile one‐pot mannich condensations
A series of thermally polymerizable dendrimers of various generations, equipped with
triphenylamine (TPA) and benzoxazine (BZ) groups, is synthesized through facile one‐pot …
triphenylamine (TPA) and benzoxazine (BZ) groups, is synthesized through facile one‐pot …
Design of bio-based organic phase change materials containing a “safety valve”
Y Wuliu, J Liu, L Zhang, S Wang, Y Liu, J Feng… - Green Chemistry, 2021 - pubs.rsc.org
Energy efficiency and resource utilization are considered to be necessary for sustainable
development. Organic phase change materials (PCMs) as an effective thermal energy …
development. Organic phase change materials (PCMs) as an effective thermal energy …
Preparation and characterization of fully renewable polybenzoxazines from monomers containing multi-oxazine rings
Two fully renewable benzoxazine monomers containing multi-oxazine rings were
synthesized and used to prepare polybenzoxazines. The structures of the monomers …
synthesized and used to prepare polybenzoxazines. The structures of the monomers …
A bio-based benzoxazine surfactant from amino acids
Z Wang, S Yao, K Song, X Gong, S Zhang, S Gao… - Green …, 2020 - pubs.rsc.org
A novel bio-based benzoxazine (Ca-g) surfactant was synthesized via a Mannich reaction
using renewable glycine and cardanol as raw materials. The structure of Ca-g was …
using renewable glycine and cardanol as raw materials. The structure of Ca-g was …
Well-defined benzoxazine/triphenylamine-based hyperbranched polymers with controlled degree of branching
Well-defined thermally polymerizable hyperbranched polymers (TPA–BZs) containing
various numbers of triphenylamine (TPA) and benzoxazine (BZ) units have been prepared …
various numbers of triphenylamine (TPA) and benzoxazine (BZ) units have been prepared …
Gallic Acid-Modified Polyethylenimine–Polypropylene Carbonate–Polyethylenimine Nanoparticles: Synthesis, Characterization, and Anti-Periodontitis Evaluation
Z **e, B Gao, J Liu, J He, Y Liu, F Gao - ACS omega, 2024 - ACS Publications
The aim of the research was to develop novel gallic acid (GA)-modified amphiphilic
nanoparticles of polyethylenimine (PEI)–polypropylene carbonate (PPC)–PEI (PEPE) and …
nanoparticles of polyethylenimine (PEI)–polypropylene carbonate (PPC)–PEI (PEPE) and …
The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and …
Titanium tetrachloride smoothly reacted with a selection of α-amino acids (aaH) in CH2Cl2
affording yellow to orange solid coordination compounds, 1a–d, in 70–78% yields. The salts …
affording yellow to orange solid coordination compounds, 1a–d, in 70–78% yields. The salts …