Recent progress in quantum chemistry modeling on the pyrolysis mechanisms of lignocellulosic biomass

B Hu, B Zhang, W Xie, X Jiang, J Liu, Q Lu - Energy & Fuels, 2020 - ACS Publications
Pyrolysis of lignocellulose biomass to produce various fuels and chemicals has gained
increasing interest in recent decades. An in-depth understanding of the biomass pyrolysis …

Intramolecular Catalytic Hydrogen Atom Transfer (CHAT)

R Asatryan, J Hudzik, M Swihart - The Journal of Physical …, 2024 - ACS Publications
Intramolecular catalysis (IntraCat) is the acceleration of a process at one site of a molecule
catalyzed by a functional group in the same molecule; an external agent such as a solvent …

Catalytic hydrogenation of hemicellulosic sugars: reaction kinetics and influence of sugar structure on reaction rate

VDS Freitas, A Paez, P Fongarland, R Philippe… - …, 2023 - Wiley Online Library
Hemicelluloses are a major component of lignocellulosic biomass. Different sugars can be
obtained from hemicelluloses: xylose, arabinose, galactose, mannose, glucose. Their …

Preparation and characterization of aspirin–fucoidan complex and its admirable antitumor activity on human non-small cell lung cancer cells

R Zhou, L Zhong, S Jia, Y Luo, Y Li, Y Tang - International Journal of …, 2024 - Elsevier
The purpose of this work is to prepare a novel acetylated derivative of Undaria pinnatifida
fucoidan (UPFUC) with admirable antitumor activity. Fucoidan was first acetylated by …

Theoretical Studies on the Reaction Mechanism of Schiff Base Formation from Hexoses

K Kato, T Nakayoshi, Y Shinohara… - The Journal of …, 2024 - ACS Publications
The Maillard reaction is one of the nonenzymatic post-translational modifications of proteins.
Products of this reaction are considered to be related to aging diseases and the sensation of …

Reactions of Aldehydes and Ketones and their Derivatives

BA Murray - Organic Reaction Mechanisms 2011: An annual …, 2014 - Wiley Online Library
Carbohydrate‐based benzylidene acetals undergo reductive ring opening. 1‐β‐O‐Acyl
glucoside conjugates of phenylacetic acids have been synthesized, and their acyl migration …

Mutarotation of aldoses: Getting a deeper knowledge of a classic equilibrium enabled by computational analyses

JG de la Concepción, RF Martínez, P Cintas… - Carbohydrate …, 2020 - Elsevier
The mutarotation equilibrium, by which reducing carbohydrates exist in solution as the α and
β anomers of cyclic (furanoid and pyranoid) structures, along with open-chain (aldehyde and …

Biochemische und strukturelle Charakterisierung nicht klassifizierter Glykosidhydrolasen aus anaeroben, thermophilen Bakterien

MJ Baudrexl - 2023 - mediatum.ub.tum.de
In dieser Arbeit wurden neue Glykosidhydrolasen aus überwiegend thermophilen
Organismen heterolog in E. coli exprimiert und mit verschiedenen Modellsubstraten auf …

Theoretical studies of conformational analysis and intramolecular dynamic phenomena

I Alkorta, J Elguero - Structural Chemistry, 2019 - Springer
This review reports our computational studies of a variety of topics related to conformational
analyses and intramolecular dynamic phenomena. Single and double bonds, open and ring …

[图书][B] Computed Elementary Mechanisms of Homogeneous Catalysis by Saccharide-Derived Hydroxyls, Organophosphorus, and Organotin

CJ McGill - 2019 - search.proquest.com
Computational chemistry tools were used to explore the reaction mechanisms at play in
three different systems: pyrolysis reactions for monosaccharides, production of ketene from …