[HTML][HTML] Urea transport and hydrolysis in the rumen: a review

S Hailemariam, S Zhao, Y He, J Wang - Animal Nutrition, 2021 - Elsevier
Inefficient dietary nitrogen (N) conversion to microbial proteins, and the subsequent use by
ruminants, is a major research focus across different fields. Excess bacterial ammonia (NH …

Chalcone as potential nonlinear optical material: a combined theoretical, structural, and spectroscopic study

JMF Custodio, GDC D'oliveira, F Gotardo… - The Journal of …, 2019 - ACS Publications
In this work, we propose the synthesis of a novel bromine chalcone (E)-3-(2-bromophenyl)-1-
(2-((phenylsulfonyl) amine)) phenyl) prop-2-en-1-one (BRC) that has been crystallized by …

DFT study of third-order nonlinear susceptibility of a chalcone crystal

C Valverde, FAP Osório, TL Fonseca, B Baseia - Chemical Physics Letters, 2018 - Elsevier
The linear and nonlinear properties of a new chalcone derivative,(2E)-3-(3-methylphenyl)-1-
(4-nitrophenyl) prop-2-en-1-one (3MPNP), have been investigated using an iterative …

[HTML][HTML] Theoretical study on the third-order nonlinear optical properties and structural characterization of 3-Acetyl-6-Bromocoumarin

AN Castro, LR Almeida, MM Anjos, GR Oliveira… - Chemical Physics …, 2016 - Elsevier
Coumarin derivatives exist widely in nature and show a wide range of biological activities
such as anti-inflammatory, anti-oxidative and anti-cancer. The structure of C 11 H 7 BrO 3 …

Solvent effects on Stokes shifts, and NLO response of thieno [3, 4-b] pyrazine: A comprehensive QM/MM investigation

V Manzoni, R Gester, AR da Cunha… - Journal of Molecular …, 2021 - Elsevier
The analysis of solvent effects on the fluorescence and nonlinear optical (NLO) response of
thieno [3, 4-b] pyrazine was performed using the sequential Monte Carlo/Quantum …

NO2 Solvation Structure in Choline Chloride Deep Eutectic Solvents—The Role of the Hydrogen Bond Donor

SL Waite, H Li, AJ Page - The Journal of Physical Chemistry B, 2018 - ACS Publications
Deep eutectic solvents (DESs) are promising candidates as alternate media for industrial
gas sequestration processes, such as denitrification via NO2 adsorption. Here, quantum …

Theoretical investigation on the linear and nonlinear optical properties of DAPSH crystal

C Valverde, R Medeiros, LR Franco, FAP Osório… - Scientific Reports, 2023 - nature.com
The linear polarizability, first and second hyperpolarizabilities of the asymmetric unit of
DAPSH crystal are studied and compared with available experimental results. The …

Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

RFN Rodrigues, LR Almeida, FG Santos… - PLoS …, 2017 - journals.plos.org
In this work we determine the linear and non-linear optical properties of a Fluoro-N-
Acylhydrazide derivative (FBHZ), using a combined supermolecule approach and an …

Bromine substitution effect on structure, reactivity, and linear and third-order nonlinear optical properties of 2, 3-dimethoxybenzaldehyde

ASN Aguiar, VD Dos Santos, ID Borges… - The Journal of …, 2022 - ACS Publications
The structural and electronic properties of 2, 3-dimethoxybenzaldehyde (2, 3-DMB), 5-bromo-
2, 3-dimethoxybenzaldehyde (5-BRB), and 6-bromo-2, 3-dimethoxybenzaldehyde (6-BRB) …

Exploring the nonlinear optical limiting activity of para-aminobenzoic acid by experimental and Dft approach

S Lakhera, M Rana, K Devlal, S Sharma… - … of Photochemistry and …, 2023 - Elsevier
The present study accounts for the nonlinear optical behavior of para-aminobenzoic acid.
The intramolecular charge transfer was established using electrostatic potential and …