Doping and dedoping processes of polypyrrole: DFT study with hybrid functionals

H Ullah, AHA Shah, S Bilal, K Ayub - The Journal of Physical …, 2014 - ACS Publications
Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations at the
UB3LYP/6-31G (d) level have been performed to investigate the tunable nature, ie, doping …

[HTML][HTML] Characterization and discrimination of phenolic compounds using Fourier transform Raman spectroscopy and chemometric tools

DR Pompeu, Y Larondelle, H Rogez, O Abbas… - Base, 2018 - popups.uliege.be
Characterization and discrimination of phenolic compounds using Fourier transform Raman
spectroscopy and chemometric tools | Université de Liège FRENNLES ulg 1780-4507 BASE …

[HTML][HTML] Electrochemical properties of chlorogenic acids and determination of their content in coffee using differential pulse voltammetry

I Tomac, M Šeruga - International Journal of Electrochemical Science, 2016 - Elsevier
The electrochemical properties of nine chlorogenic acids (CGAs) isomers: three
caffeoylquinic acids, CQAs (5-CQA, 4-CQA, 3-CQA), three dicaffeoylquinic acids, diCQAs (3 …

Effects of solvent polarity on the absorption and fluorescence spectra of chlorogenic acid and caffeic acid compounds: determination of the dipole moments

A Belay, E Libnedengel, HK Kim, YH Hwang - Luminescence, 2016 - Wiley Online Library
The effects of solvent polarity on absorption and fluorescence spectra of biologically active
compounds (chlorogenic acid (CGA) and caffeic acids (CA)) have been investigated. In both …

Electrochemical behaviour of some chlorogenic acids and their characterization in coffee by square-wave voltammetry

M Seruga, I Tomac - International journal of electrochemical science, 2014 - Elsevier
The electrochemical behaviour of six chlorogenic acids (CGAs) isomers: three caffeoylquinic
acids, CQAs (5-CQA, 4-CQA, 3-CQA) and three dicaffeoylquinic acids, diCQAs (3, 4-diCQA …

Synthesis of bioactive chlorogenic acid-silica hybrid materials via the sol–gel route and evaluation of their biocompatibility

M Catauro, S Pacifico - Materials, 2017 - mdpi.com
Natural phenol compounds are gaining a great deal of attention because of their potential
use as prophylactic and therapeutic agents in many diseases, as well as in applied science …

Antibacterial and cytotoxic silica-polycaprolactone-chlorogenic acid hybrids by Sol–Gel route

M Catauro, A D'Angelo, V Viola, G Cimmino, S Pacifico - Molecules, 2023 - mdpi.com
Organic–inorganic hybrid materials were synthesized by a sol–gel route, using silicon
alkoxide together with low molecular weight polycaprolactone and caffetannic acid. The …

Characterization of chlorogenic acids in coffee by flow-through chronopotentiometry

I Tomac, M Šeruga, E Beinrohr - Food analytical methods, 2017 - Springer
In this study, flow-through chronopotentiometry (FTCP) has been developed as an
electroanalytical method for characterization (identification and quantification) of chlorogenic …

Growth, molecular structure, NBO analysis and vibrational spectral analysis of l-tartaric acid single crystal

V Sasikala, D Sajan, N Vijayan, K Chaitanya… - … Acta Part A: Molecular …, 2014 - Elsevier
Single crystal of l-tartaric acid (LTA) has been grown by slow evaporation technique. The
experimental and theoretical studies on molecular structure, vibrational spectra, electronic …

Formation of an external char layer during subcritical water hydrolysis of biomass

Z Ma, P Guerra, M Tyufekchiev, A Zaker… - Sustainable Energy & …, 2017 - pubs.rsc.org
Flow-through subcritical water hydrolysis (FT-SWH) consists of flowing hot liquid water over
a fixed bed packed with biomass particles to produce fermentable carbohydrates and other …