Synthesis, experimental and theoretical analysis, and antiproliferative activity of 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate
Sign Up to like & getrecommendations! Published in 2019 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2018.11.006
Abstract: Abstract In this study 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (MPAEMA) has been synthesized and characterized experimentally (FTIR, NMR). Theoretically, physical, electronic and vibrational properties of MPAEMA molecule have been investigated using density functional theory (DFT) calculations at B3LYP/6-311++G(d,p)… read more here.
Keywords: oxoethyl methacrylate; methoxyphenylamino oxoethyl; experimental theoretical; synthesis experimental ... See more keywords
Synthesis, experimental and theoretical characterizations of a new Schiff base derived from 2-pyridincarboxaldehyde and its Ni (II) complex
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.04.114
Abstract: Abstract In this work, a tridentate Schiff base of 2-pyridinecarboxaldehyde and its Ni(II) complex have been newly synthesized and characterized by the IR and NMR spectroscopies together with the elemental analysis. In addition, optimized geometries,… read more here.
Keywords: theoretical characterizations; characterizations new; base; experimental theoretical ... See more keywords
Synthesis, experimental and theoretical studies on highly functionalized novel 4H-pyran-3-carboxylate
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.08.037
Abstract: Abstract A facile methodology for the synthesis of a multifunctional 4H-pyran -3-carboxylate, 2-(methacryloyloxy)ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate (1) via a single-step multicomponent reaction of 2-(methacryloyloxy)ethyl 3-oxobutanoate with an aldehyde and malononitrile utilizing K2CO3 as a catalyst in aqueous… read more here.
Keywords: pyran; experimental theoretical; synthesis experimental; pyran carboxylate ... See more keywords
Synthesis, experimental and theoretical characterizations of a 1,2,4-triazole Schiff base and its nickel(II) complex
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.11.073
Abstract: Abstract A new Schiff base, HL, derived from condensation reaction of 2,4-dihydroxybenzaldehyde and 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione together with its Ni(II) complex have been synthesized and characterized by several spectroscopies methods. The optimized geometries, assignment of the IR… read more here.
Keywords: experimental theoretical; synthesis experimental; base; schiff base ... See more keywords
Synthesis and experimental/theoretical evaluations on redox potentials and electronic absorption spectra for copper symmetric bis(thiosemicarbazone) complexes
Sign Up to like & getrecommendations! Published in 2018 at "Polyhedron"
DOI: 10.1016/j.poly.2018.05.034
Abstract: Abstract Two new bis(thiosemicarbazone) ligands 2-[1-(2-{3-[2-({2[(methyl)carbothioyl]hydrazono}-methyl)phenoxy]propoxy}phenyl)methylidene]-N 1 -(methyl)-1-hydrazinecarbothiamide ( H 2 L5 ), 2-[1-(2-{3-[2-({2-[(methyl)carbothioyl]hydrazono}methyl)phenoxy]-2-hydroxypropoxy}-phenyl)methylidene]-N 1 -(methyl)-1-hydrazinecarbothiamide ( H 3 L6 ), and their Cu(II) complexes were synthesized and characterized by physico-chemical and spectroscopic methods. Among… read more here.
Keywords: methyl; bis thiosemicarbazone; copper; experimental theoretical ... See more keywords
Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties
Sign Up to like & getrecommendations! Published in 2019 at "New Journal of Chemistry"
DOI: 10.1039/c9nj01774g
Abstract: The redox-switching behavior of the title compounds has been probed for the Ni(ii) derivatives using time-resolved spectroelectrochemistry under thin-layer conditions. read more here.
Keywords: experimental theoretical; switching ternary; synthesis experimental; ternary complexes ... See more keywords
Single Crystals of EuScCuSe3: Synthesis, Experimental and DFT Investigations
Sign Up to like & getrecommendations! Published in 2023 at "Materials"
DOI: 10.3390/ma16041555
Abstract: EuScCuSe3 was synthesized from the elements for the first time by the method of cesium-iodide flux. The crystal belongs to the orthorhombic system (Cmcm) with the unit cell parameters a = 3.9883(3) Å, b =… read more here.
Keywords: single crystals; eusccuse3 synthesis; dft; crystals eusccuse3 ... See more keywords
Synthesis, Experimental and Theoretical Study of Azidochromones
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27092636
Abstract: A series of 2-(haloalkyl)-3-azidomethyl and 6-azido chromones has been synthetized, characterized and studied by theoretical (DFT calculations) and spectroscopic methods (UV-Vis, NMR). The crystal structure of 3-azidomethyl-2-difluoromethyl chromone, determined by X-ray diffraction methods, shows a… read more here.
Keywords: study azidochromones; synthesis experimental; theoretical study; experimental theoretical ... See more keywords
Design, Synthesis, Experimental and Theoretical Characterization of a New Multitarget 2-Thienyl-N-Acylhydrazone Derivative
Sign Up to like & getrecommendations! Published in 2018 at "Pharmaceuticals"
DOI: 10.3390/ph11040119
Abstract: Pulmonary arterial hypertension (PAH) is a chronic cardiovascular disease that displays inflammatory components, which contributes to the difficulty of adequate treatment with the available therapeutic arsenal. In this context, the N-acylhydrazone derivative LASSBio-1359 was previously… read more here.
Keywords: design synthesis; lassbio; lassbio 1359; experimental theoretical ... See more keywords