Spectroscopic data chemistry

Ten novel 2-aryl-5-(arylsulfonyl)-1,3,4-oxadiazoles were produced and assessed for their in vitro antibacterial and antioxidant activities. Diverse spectroscopic methods like 1 H NMR, 13C NMR, IR, and LCMS were used for the characterization of the prepared samples and all the data was in good agreement with the anticipated structures.

41p lyhuyenthu 31-01-2023 4 2   Download

The structures of the compounds were elucidated from the elemental analysis data and spectroscopic studies. The azo-oxime metal complexes were also characterized by XRD, magnetic moment, molar conductivity, and thermal analyses. Elemental analyses of the chelates suggested that the metal to ligand ratio was 1:2. It was found that the ligand acts as a bidentate bending through the phenolic oxygen and nitrogen atom of the C=N-OH group similar to most oximes.

17p langthannam 29-12-2021 15 0   Download

The compounds were identified by the use of 1D- and 2D-NMR and UV spectroscopic techniques and by comparisons with the reported data. The acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activities of the acetone, methanol, and water extracts of the plant and of the flavones penduletin and apigenin were evaluated at 200 µg/mL. The water extract exhibited better activity against the enzyme AChE as compared to both the acetone and the methanol extracts. Penduletin (1) showed significant activity against BChE (66.

9p langthannam 29-12-2021 10 0   Download

A series of binucleating Cu(II), Ni(II), and Zn(II) complexes of bicompartmental ligands with ONO donors were prepared. The ligands were synthesized by the condensation of 5-substituted-3-phenyl-1H -indole-2-carboxyhydrazides and 4,6-diacetylresorcinol. The newly synthesized ligands and their complexes were characterized by elemental analysis and various spectral studies like IR, 1H NMR, ESI-mass, UV-Vis, ESR, thermal studies, magnetic susceptibility, molar conductance, and powder-XRD data.

21p langthannam 29-12-2021 8 0   Download

The synthesis of novel, symmetrical, tetrasubstituted manganese phthalocyanine complexes bearing 4 hexylthio, 2’,3’,4’,5’,6’-pentafluorobenzyloxy, 2’,3’,5’,6’-tetrafluoro-4’-hexylthio-benzyloxy, and 2’,3’,5’,6’-tetrafluoro-4’- pentoxy-benzyloxy units is reported. The new compounds have been characterized by using elemental analyses and UV-Vis, FT-IR, and mass spectroscopic data. The electrochemical properties of the manganese phthalocyanine complexes were investigated by cyclic and square wave voltammetry and the nature of the observed redox processes was studied by spectroelectrochemistry.

9p langthannam 29-12-2021 7 0   Download

The synthesis, characterization, and spectroscopic properties of novel nonperipherally tetrasubstituted metallophthalocyanines (zinc, cobalt, copper, manganese, and indium) bearing 4 (7-(trifluoromethyl)quinolin-4-yl)oxy units has been reported. The new compounds have been characterized using UV-Vis, IR, 1H NMR, 13C NMR, 19F NMR, and mass spectroscopic data. The absorption properties of these new complexes were compared to those of peripherally substituted phthalocyanine derivatives.

11p langthannam 29-12-2021 12 0   Download

The newly synthesized compounds were characterized and confirmed by analytical and spectroscopic data (IR, MS, 1H NMR, and 13C NMR). Pyrazolo[1,5-a]pyrimidines 5a–c and 9a–c and Schiff bases 11b–f were investigated for their cytotoxicity against four human cancer cell lines (colon HCT116, lung A549, breast MCF-7, and liver HepG2) according to SRB assay and the structure–activity relationship was discussed.

12p langthannam 29-12-2021 14 0   Download

Tetra-coordinated nickel(II) complexes of two ONS (1, 2) and seven ONN (3a–3g) chelating 2-hydroxy3-methoxy-benzaldehyde thiosemicarbazones were synthesized. The dibasic ligands and complexes bearing PPh 3 as a coligand were characterized by means of analytical and spectroscopic data. Cytotoxic activities of the ligands and nickel(II) complexes were determined using the MTT assay in vitro against MDCK cells, and then all the compounds were tested on influenza virus replication by plaque assays. The compounds showed GI 50 values varying from concentrations of 15.9 up to 161.

14p tudichquannguyet 29-11-2021 10 1   Download

Ketoprofen and isoniazid together are a potential combination of a nonsteroidal antiinflammatory drug and an antitubercular medicine to treat tuberculosis and associated symptoms like fever and fatigue. The Schiff base of isoniazid with ketoprofen is synthesized in this research. Infrared spectroscopy (IR) and X-ray diffraction (XRD) analysis of the crystal packing proved the formation of the Schiff base and the existence of N-H···O hydrogen bonds between the hydrogen-bonded dimer of the Schiff base.

23p tudichquannguyet 29-11-2021 15 0   Download

The absolute configuration of compound 14 was found as SR in the solid state. Analytical and spectroscopic data of the phosphazenes were consistent with their suggested structures. Antimicrobial activities of the benzyl-pendant-armed cyclotriphosphazenes were scrutinized against G(+) and G(−) bacteria and yeast strains. The bacterium most affected by the synthesized compounds was Pseudomonas aeruginosa. Minimum inhibitory concentrations and minimal bacterial concentrations were in the range of 125–500 µM.

26p tudichquannguyet 29-11-2021 9 1   Download

Thes tructures of the crystalline compounds were characterized via their spectral analyses. General information about the structures of the newly obtained Hofmann-type clathrates was obtained from their vibration spectra by considering significant changes in the vibration peaks of the cyanide group, water ligand molecule, and guest molecules (water and 1,4-dioxane). The thermal behavior of the Hofmann-type clathrates was investigated in the range of 25–500°C.

14p tudichquannguyet 29-11-2021 7 0   Download

A great wealth of structural information about phosphazenes can be gleaned from the combined spectroscopic and crystallographic data. When data from 31P NMR spectroscopy and X-ray crystallography are put together like pieces in a puzzle, a number of correlations can be obtained for phosphazene derivatives. A systematic study concerning the correlations among the structural parameters (e.g., 31P NMR data, endocyclic/exocyclic NPN bond angles and bond lengths) revealed some characteristics of mono- and di-spirocyclophosphazene derivatives bearing 4- fluoro/nitrophenylmethyl pendant arm/arms.

15p tudichquannguyet 29-11-2021 6 2   Download

In this study, synthesis of two new heteronuclear tetracyanonickelate(II) clathrates based on 4-aminopyridine (4AP) and guest water (H2O) molecule and investigation of their structural properties were reported. These clathrates were characterized by using vibration spectroscopy, elemental, thermal analysis and single crystal X-ray diffraction (SC-XRD) techniques. Examining the elemental and spectral data of these clathrates, it was observed that the formulas [Zn(II)(4AP)2Ni(µ-CN)2(CN)2]·6H2O and [Cu(II)(4AP)4Ni(µCN)2(CN)2]·H2O were defined their structures.

18p tudichquannguyet 29-11-2021 13 1   Download

In this study, synthesis of two new tetracyanocadmate(II) and tetracyanozincate(II) complexes based on 3-aminopyridine (3AP) and investigation of their structural properties were reported. These complexes were characterized by using vibration spectroscopy, elemental, thermal analysis and single crystal X-ray diffraction (SC-XRD) techniques. Investigation of the elemental, spectral and single crystal data of these complexes showed that the formulas [Cd(3AP)2Zn(μ4 -CN)4]n(1) and [Cd(3AP)2Cd(μ4-CN)4]n(2) fully explained their crystal structure.

14p tudichquannguyet 29-11-2021 10 1   Download

From the alcoholic extract of the aerial parts of Orthosiphon stamineus Benth., three flavonols have been isolated. Their chemical structures were elucidated to be 5,7,3’,4’-tetramethylquercetin (1), 3’-hydroxy-3,5,7,4’- tetramethoxyflavone (2), and 3,5-dihydroxy-7,3',4'-trimethoxyflavone (3), by combining spectroscopic data and physicochemical data analyses (including IR, UV, NMR and MS).

5p bautroibinhyen211 26-11-2018 23 0   Download

Seven terpenoids were isolated from the dried leaves of Pinus dalatensis Ferré, including one caryolane sesquiterpenoid (1), five labdane diterpenoids (2, 3, 4, 5, 6) and one serratane triterpenoid (7). The structures of the isolated compounds were determined on the basic of spectroscopic methods (ESI-MS, NMR) and comparison with reported data. Among these compounds, the mixture of compounds 2 and 3 showed inhibitory effects on the growth of acute myeloid leukemia (OCI-AML) cells. This is the first report on the chemical compositions of Pinus dalatensis in Vietnam.

5p bautroibinhyen211 26-11-2018 33 1   Download

Their structures were determined by extensive spectroscopic analyses including UV, IR, ESI-HRMS, 1D, 2D NMR and specific rotation as well as by comparison of the data with those in the literature. The pKa value in an aqueous solution of (1) was determined by UV-VIS spectrophotometry at 298 K. With the low pKa value 1.29, only the neutral form of (1) was present and responsible for the UV absorption in water at pH 7.

5p bautroibinhyen211 26-11-2018 25 0   Download

Six new benzopyran derivatives were synthesized by reduction reaction and Michael reaction from malloapelta B.

5p chikychiky 11-11-2018 37 0   Download

Chemical investigation of the leaves of Celastrus hindsii growing in Quang Binh, Vietnam led to the isolation and structural elucidation of three triterpenes, 3-friedelanol, 3-friedelanone and canophyllol. These structures were determined on the basis of MS and NMR spectroscopic data.

4p chikychiky 11-11-2018 36 1   Download

Five compounds L-phenyl alanine (1), 1-methyl-6-acetyl-α-D-glucopyranoside (2), thymine (3), uracil (4), and (2R,3S)-butane-2,3-diol (5) were isolated and characterized from the culture broth of the marine bacterium Micromospora sp. (G047 strain), which was isolated from the sediment collecting from the coast of Co To – Quang Ninh. The structures of all isolates were determined by spectroscopic analysis including MS and 2D NMR, as well as by comparison with reported data in the literature.

4p giesumanh 10-11-2018 31 1   Download