Search
Search Results
-
Structure and Electrocatalytical Properties of Electrodeposited M-Ir (M = Co, Ni) Bimetallic Alloy Catalysts with Low Ir Loading Obtained on Copper Foams for Hydrogen Evolution Reaction
M-iridium (M = cobalt (Co), nickel (Ni)) bimetallic alloy catalysts with low iridium (Ir) loading of 0.3–2.0 mg·cm −2 were prepared on copper foam...
-
Effects of Instrumental Configuration, Sample Preparation, and Pretreatment on the IR spectra of Silicalite-1
Infrared spectroscopy (IR) is an important tool to investigate the structure of silicalite-1, but the reported spectra vary considerably depending on...
-
Assessment of computational prediction of infra-red spectrograms of nucleotide reverse transcriptase inhibitor class antiretroviral drugs in the FT-IR method validation
The research findings involving computational chemistry modelling and evaluation using experimental data are challenging. The results may be verified...
-
Densities, Ultrasonic Velocities, Viscosities, and FT-IR Spectra of Binary Mixtures of Morpholine in Isobutyl Acetate, Formamide, and 2-Butanol
AbstractThe densities, ultrasonic velocities and viscosities of binary mixtures of morpholine along isobutyl acetate, formamide, and 2-butanol have...
-
Elucidation of the IR of Cu and Mn substituted intraframework SiBEA zeolites
Copper and manganese modified zeolites play key roles in selective oxidation catalytic reactions. Combining Density Functional Perturbation Theory...
-
Supramolecular assembly of guanidinium benzilate and benzylammonium benzilate: structural and spectroscopic (FT-IR, UV–Vis and photoluminescence) analyses
Guanidinium benzilate (GBA) and benzylammonium benzilate (BABA) have been prepared from guanidinium carbonate and benzylamine/benzilic acid (BA). GBA...
-
Identification, Isolation, and Structural Characterization of Novel Forced Degradation Products of Darunavir Using Advanced Analytical Techniques Like UPLC–MS, Prep-HPLC, HRMS, NMR, and FT-IR Spectroscopy
Since the stability of the pharmaceuticals plays a crucial role in efficacy and safety while using them in the treatment of disorders, the evaluation...
-
The study of spectroscopy and vibrational assignments of high nitrogen material 1,1′-azobis-1,2,3-triazole
Benefiting from the new strategy of oxidative azo coupling of the N−NH 2 moiety, a series of energetic nitrogen-rich molecules with long catenated...
-
MOLECULAR STRUCTURE, FT-RAMAN, IR, NLO, NBO, HOMO–LUMO ANALYSIS, PHYSICOCHEMICAL DESCRIPTORS, ADME PARAMETERS, AND PHARMACOKINETIC BIOACTIVITY OF 2,3,5,6-TETRACHLORO-
p -BENZOQUINONEAbstractVibrational, NLO, NBO, FMO, NMR substance move, and an auxiliary investigation of 2,3,5,6-tetrachloro- p -benzoquinone, utilizing quantum...
-
Synthesis, spectroscopic (FT-IR and NMR), DFT and molecular docking studies of ethyl 1-(3-nitrophenyl)-5-phenyl-3-((4-(trifluoromethyl)phenyl)carbamoyl)-1H-pyrazole-4-carboxylate
Trifluoromethyl group containing pyrazole-3-carboxamide derivative is synthesized and the structure of the molecule (E3N5PC ) has been verified by...
-
Exploration of electronic and vibrational properties of sulfanilic acid through periodic and non-periodic DFT calculations
ContextThe electronic, discrete water solvation, and vibrational properties of zwitterionic sulfanilic acid were thoroughly investigated using...
-
-
Volumetric, UV–Vis and FT IR Studies of Isoniazid in Diethylsulfoxide Solutions
UV–Vis, FT IR spectroscopy and densitometry were used to study solutions of isoniazid (INH) in diethylsulfoxide (DESO). The apparent molar volumes of...
-
A rapid and precise spectroscopic method for detecting fipronil insecticide on solid surfaces
Fipronil, an insecticide commonly used to rid livestock of fleas, lice and ticks, is banned from use in the food industry in the U.S. and European...
-
Prediction of tumor size in patients with invasive ductal carcinoma using FT-IR spectroscopy combined with chemometrics: a preliminary study
Precise detection of tumor size is essential for early diagnosis, treatment, and evaluation of the prognosis of breast cancer. However, there are...
-
Discrimination of menstrual and peripheral blood traces using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy and chemometrics for forensic purposes
Body fluid traces can provide highly valuable clues in forensic investigations. In particular, bloodstains are a common occurrence in criminal...
-
Structural and vibrational investigation of Cis–Trans isomers of potent insecticide allethrin
In this research, the optimised structural and vibrational properties of cis –trans isomers of powerful insecticide allethrin were theoretically...
-
ESTIMATING THE STABILITY OF METAL–LIGAND BONDING IN CARBOXYL-CONTAINING POLYMER COMPLEXES BY IR SPECTROSCOPY
AbstractThe stability of metal–ligand (carboxyl-containing polymer (CCP)) bonding in transition metal complexes is estimated and juxtaposed using...
-
FT-IR and FT-RAMAN analysis and light-harvesting efficiency (LHE) enhancement for DSSC applications of hydrazide derivatives
The vibrational frequencies obtained by the recorded the spectra of FT-IR and FT-Raman are precisely assigned and compared with the theoretical...
-
Thermolysis and analysis of TDI char by supercritical methanol using TGA, DSC, IR and SEM
TDI's synthetic plant generates about 5 mass % of tar by phosgenation process, which has been currently a bottleneck needed to be broken through for...
