Results 51 to 60 of about 1,418,099 (244)

An FT-Raman, FT-IR, and Quantum Chemical Investigation of Stanozolol and Oxandrolone

open access: yesBiosensors, 2017
We have studied the Fourier Transform Infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT) with a B3LYP/6-31G ...
Tibebe Lemma   +3 more
doaj   +1 more source

Fourier-transform infrared spectroscopy for typing of vancomycin-resistant Enterococcus faecium: performance analysis and outbreak investigation

open access: yesMicrobiology Spectrum, 2023
Vancomycin-resistant Enterococci, mainly Enterococcus faecium (VREfm), are causing nosocomial infections and outbreaks. Bacterial typing methods are used to assist in outbreak investigations.
T. C. Scheier   +11 more
doaj   +1 more source

FT-IR spectra of BW550s made by slow pyrolysis (untreated and treated with HCl).

open access: yes, 2022
FT-IR spectra of BW550s made by slow pyrolysis (untreated and treated with HCl).
Aleksandar Lolić (713936)   +8 more
core   +1 more source

A Multi‐Scale Machine Learning Framework for the Inverse Design of High Entropy Alloys

open access: yesAdvanced Engineering Materials, EarlyView.
High‐entropy alloys offer vast potential for various applications, including electrocatalysis; however, their compositional complexity challenges conventional screening. We introduce an inverse‐design framework combining two neural networks to determine optimal compositions and reconstruct nanoparticle geometry from targeted properties and conventional
Mikael Takoutsin   +14 more
wiley   +1 more source

Experimental and theoretical spectroscopic (FT-IR, FT-Raman, UV-VIS) analysis, natural bonding orbitals and molecular docking studies on 2-bromo-6-methoxynaphthalene: A potential anti-cancer drug

open access: yesHeliyon, 2021
The vibrational, electronic and charge transfer studies on 2-bromo-6-methoxynaphthalene (2BMN) were done using DFT method with B3LYP/6-311++G(d,p) theory using GAUSSIAN 09W software.
Rinnu Sara Saji   +3 more
doaj   +1 more source

Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions

open access: yesAdvanced Functional Materials, EarlyView.
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian   +7 more
wiley   +1 more source

Characterization of the curing agents used in epoxy resins with TG/FT-IR technique

open access: yesPolímeros, 2006
Samples of epoxy resin (EP) based on the diglycidyl ether of bisphenol A (DGEBA), cured with nadic methyl anhydride (NMA) and mercaptan (CAPCURE 3-800), or amine-phenol (CAPCURE EH-30), respectively, SE 4 and SE 5, were prepared in the stoichiometric ...
Benedita M. V. Romão   +6 more
doaj   +1 more source

Biomineral‐Inspired Organic/Inorganic Colloidal Liquid‐Crystalline Hybrids for Photoresponsive Adhesion

open access: yesAdvanced Functional Materials, EarlyView.
A new class of photoresponsive liquid‐crystalline (LC) adhesives based on biomineral‐inspired organic/inorganic colloidal hybrids is reported. These colloidal LC materials are formed by hybridization of a hydroxyapatite nanorod with azobenzene‐based forklike molecules.
Junya Uchida   +4 more
wiley   +1 more source

FT-IR methodology (transmission and UATR) to quantify automotive systems

open access: yes, 2018
When using Fourier transform infrared spectroscopy (FT-IR) under the qualitative aspect for characterization of polymer blends, often a simple identification of each one of the existing polymers in the blend does not justify the material failure since ...
Milton Faria Diniz (4704994)   +2 more
core   +2 more sources

Exploring flexibility, intermolecular interactions and ADMET profiles of anti-influenza agent isorhapontigenin: A quantum chemical and molecular docking study

open access: yesHeliyon, 2022
Isorhapontigenin (IRPG) drug emerges as promising efficient inhibitor for H1N1 and H3N2 subtypes which belong to influenza A virus; reported with IC50 value of 35.62 and 63.50 μM respectively.
Sathya Bangaru   +3 more
doaj   +1 more source

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