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Now showing items 21-29 of 29
Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N 4 -phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis
(2023)
Seven novel Cu(II) complexes [Cu(HPySc)Cl 2 ] ( 1 ), [Cu 2 (PySc) 2 (NO 3 ) 2 ] ·H 2 O ( 2 ), [Cu(HPySc)(SO 4 )] ·½H 2 O ( 3 ), [Cu 2 (PySc) 2 (OAc) 2 ] ·CH 3 OH ( 4 ), [Cu 2 (PySc) 2 Br 2 ] ·H 2 O ( 5 ), [Cu(PySc)(NCS)] ...
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies
(2023)
The synthesized (2)-(6) complexes and (2 )-(6 ) hypothetical complexes formed by attached boranic acid esters were optimized at the DFT-B3LYP/GEN level. The structural and spectroscopic properties (IR, 1H NMR , 13C NMR ...
Use of Fe3O4@MPTMS-Dithizone Magnetic Nanoparticles as Solid Phase Sorbent for Sensitive Analysis of Sibutramine Molecules in Herbal Slimming Products
(Haziran 20)
Background: A new enrichment and sensitive determination method, which includes HPLCDAD
analysis after Magnetic Solid Phase Extraction (MSPE), has been developed for trace analysis of
Sibutramine molecules in herbal ...
Determination of oxidative stability of different vegetable oils by means of middle infrared spectroscopy and DFT calculations
(Elsevier, 2023)
Oxidative stability is one of the most important quality parameters of vegetable oils. This study aims to determine
oxidative stability of five different vegetable oils by means of infrared spectroscopy combined with DFT ...
Use of newly synthetized magnetic Fe3O4 nanoparticles modified with hexadecyl trimethyl ammonium bromide for the sensitive analysis of antidepressant drugs, duloxetine and vilazodone in wastewater and urine samples
(17 Haziran)
A new enrichment and determination method involving HPLC-DAD analysis following magnetic solid-phase extraction (MSPE) was developed to detect trace amounts of two antidepressant drugs, namely, duloxetine (DUL) and vilazodone ...
Cyclocondensation of 3,4-diaminobenzophenone with glyoxal: Synthesis, X-ray structure, density functional theory calculation and molecular docking studies
(2023)
7-benzoyl quinoxaline (BQ) was synthesized by the cyclocondensation of 3,4-diaminobenzophenone with
glyoxal. BQ was characterized using elemental analysis (C, H, N), FT-IR, 1H NMR and UV–Visible spectral studies. The ...
Thickness-Dependent Charge Transport in Three Dimensional Ru(II)− Tris(phenanthroline)-Based Molecular Assemblies
(2023)
We describe here the fabrication of large-area molecular
junctions with a configuration of ITO/[Ru(Phen)3]/Al to understand
temperature- and thickness-dependent charge transport phenomena.
Thanks to the electrochemical ...
Prunus mahaleb shell as a sustainable bioresource for carminic acid removal from aqueous solution: Experimental and theoretical studies
(Elsevier, 2023)
This study focused on the performance of Prunus mahaleb shell (MS) agricultural waste, which is used as an alternative biosorbent for carminic acid (CA) removal from aqueous solution. The effects of different parameters ...
Anisotropic Carrier Mobility and Spectral Fingerprints of Two- Dimensional γ‑Phosphorus Carbide with Antisite Defects
(2023)
We apply density functional theory to study carrier mobility in a γ-phosphorus
carbide monolayer. Although previous calculations predicted high and anisotropic mobility in
this material, we show that the mobility can be ...