scholarly journals Synthesis, spectral characterization and antibacterial studies of palladium(II) complexes of heterocyclic thiones

2009 ◽  
Vol 23 (5-6) ◽  
pp. 299-306 ◽  
Author(s):  
Syed Ahmed Tirmizi ◽  
Shafqat Nadeem ◽  
Abdul Hameed ◽  
Muhammad Hamid Sarwar Wattoo ◽  
Aneela Anwar ◽  
...  
Keyword(s):  
Aromatic Proton ◽  
Standard Drug ◽  
Upfield Shift ◽  
Molar Ratios ◽  
H Nmr ◽  
Antibacterial Studies ◽  
Heterocyclic Thiones ◽  
Proton Resonances ◽  
Nmr Methods ◽  
C Nmr

Reactions of K2[PdCl4] with heterocyclic thiones in molar ratios of 1:2 and 1:4 in water-methanol medium yielded the palladium(II) complexes with the general formula of either [Pd(L)Cl2], [Pd(L)2]Cl2or [Pd(L)4]Cl2where L ═ Imidazolidine-2-thione (Imt), 2-Mercaptopyridine (Mpy), 2-Mercaptopyrimidine (Mpm), 6-Mercaptopurine (6-Mp) and Thionicotinamide (Tna). The complexes were characterized by elemental analysis and spectroscopic (IR,1H and13C NMR) methods. An upfield shift in the >C═S resonance of thiones in13C NMR and downfield shift in N–H or aromatic proton resonances in1H NMR are consistent with the sulfur coordination to palladium(II). The complexes were screened for antibacterial activity, and the results showed that the complexes exhibited moderate activities as compared to that of a standard drug.

scholarly journals Design, Synthesis, and Molecular Docking of 1-(1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethylidene)-2-phenylhydrazine as Potent Nonazole Anticandidal Agent

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Hazem A. Ghabbour ◽  
Maha M. Qabeel ◽  
Wagdy M. Eldehna ◽  
Abdullah Al-Dhfyan ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Human Breast ◽  
Binding Interaction ◽  
Design Synthesis ◽  
Standard Drug ◽  
H Nmr ◽  
Normal Human Breast ◽  
Normal Human ◽  
Human Breast Cell Line ◽  
Human Breast Cell ◽  
C Nmr

1-(1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethylidene)-2-phenylhydrazine (13) was designed and synthesized as potential nonazole anticandidal agent and precisely characterized by IR,1H NMR,13C NMR, and ESI-MS. The anti-Candidaactivity of13was evaluated against fourCandidaspecies (C. albicans, C. krusei, C. parapsilosis, andC. glabrata). Compound13displayed good anticandidal activities (MIC=0.39, 0.195, 0.39, and 1.56 μmol/mL, resp.) in comparison with that of the standard drug fluconazole (MIC=0.195, inactive, 1.56, and 1.56 μmol/mL, resp.) againstC. albicans, C. krusei, C. parapsilosis, andC. glabrata, respectively. A molecular modeling of the newly synthesized compound13was built in order to investigate its mode of action towards the prospective target cytochrome P450-dependent enzyme lanosterol 14α-demethylase (PDB-code: 1EA1). The docking results showed a similar binding interaction of13and fluconazole at the active site of CYT P450 14α-sterol demethylase. Furthermore, compound13showed no cytotoxicity against normal human breast cell line MCF10A.

Liquid crystalline hyperbranched polyesters with phosphorus functional groups

2020 ◽  
pp. 095400832096053
Author(s):  
Diana Serbezeanu ◽  
Ana-Maria Macsim ◽  
Ionela-Daniela Carja ◽  
Corneliu Hamciuc ◽  
Marius Pislaru ◽  
...  
Keyword(s):  
Liquid Crystalline ◽  
Decomposition Temperature ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Initial Decomposition Temperature ◽  
Molar Ratios ◽  
H Nmr ◽  
Hyperbranched Polyesters ◽  
Hyperbranched Poly ◽  
C Nmr

Liquid crystalline hyperbranched poly(aryl ester)s (A2B3) were prepared by polycondensation reaction of 2-(6-oxido-6H-dibenz<c,e><1,2>oxaphosphorin-6-yl)1,4-naphthalene diol with 1,3,5-benzenetricarbonyl trichloride, taken in two different molar ratios. The chemical structure of the newly synthesized hyperbranched polymers was confirmed by FTIR, 1H NMR, 13C NMR spectroscopy. The polymers exhibited high thermal stability with initial decomposition temperature above 410–435°C and char yield at 700°C higher than 40%. Combined differential scanning calorimetry, polarized optical microscopy and wide-angle X-ray diffraction measurements were carried out to closely examine their thermal behavior and phase transitions.

scholarly journals Total assignment of the1H and13C NMR spectra of piperovatine

1998 ◽  
Vol 14 (1) ◽  
pp. 35-40 ◽  
Author(s):  
Willy Rendón ◽  
Galia Chávez ◽  
Myriam Meléndez-Rodríguez ◽  
Pedro Joseph-Nathan
Keyword(s):  
Chemical Shift ◽  
Chemical Shift Correlation ◽  
Nmr Spectrum ◽  
Quaternary Carbon Atom ◽  
H Nmr ◽  
Simulation Based ◽  
Complete Assignment ◽  
Nmr Methods ◽  
Unambiguous Assignment ◽  
C Nmr

Total and unambiguous assignment of the1H NMR spectrum of piperovatine [6‒(4‒methoxyphenyl)‒N‒(2‒methylpropyl)‒2,4‒hexadienamide] was carried out using conventional 1D NMR methods and spectral spin–spin simulation. Based on these data, the complete assignment of the13C NMR chemical shift values was made by a13C/1H chemical shift correlation diagram and conventional considerations for the quaternary carbon atom.

X-Ray Structure Analysis and NMR Study of Sesquiterpene Lactone Hirsutolide

1995 ◽  
Vol 60 (2) ◽  
pp. 300-310 ◽  
Author(s):  
Urszula Rychłewska ◽  
Miloš Buděšínský ◽  
Halina Grabarczyk ◽  
Bohdan Drożdż ◽  
Miroslav Holub
Keyword(s):  
Crystal Structure ◽  
Nmr Spectra ◽  
Chair Conformation ◽  
Ring Conformation ◽  
X Ray ◽  
H Nmr ◽  
Nmr Study ◽  
Nmr Methods ◽  
The One ◽  
C Nmr

Hirsutolide, the C(8)-lactonized sesquiterpene of the heliangolide type has been studied by X-ray and NMR methods. In crystal the ten-membered ring conformation closely resembles the conformation observed in C(6)-lactonized heliangolides. This conformation, which can be described as a boat-chair is contrasted with the chair-chair conformation found in the crystals of other C(8)-lactonized heliangolide, scorpioidine. Broad signals in 1H and 13C NMR spectra indicated the conformation equilibrium in solution which was confirmed by observation of signals of two conformers (ca 3 : 1) in low temperature 1H NMR spectra. The major conformer is the one present in the crystal structure of hirsutolide and the minor conformer corresponds very likely to the one observed in the crystal structure of scorpioidine.

Synthesis and NMR Studies of Some Steroidal Isoxazoles

1992 ◽  
Vol 47 (6) ◽  
pp. 891-897 ◽  
Author(s):  
Sergio Giacopello ◽  
Mónica E. Deluca ◽  
Alicia M. Seldes
Keyword(s):  
Nmr Spectra ◽  
Two Dimensional ◽  
Model Compounds ◽  
Nmr Studies ◽  
Reaction Conditions ◽  
Related Model ◽  
H Nmr ◽  
Short Synthesis ◽  
Nmr Methods ◽  
C Nmr

A short synthesis of 17α-pregna-2,4-dien-[2,3-d]isoxazol-17β-ol (1) is described using mild reaction conditions and with a high overall yield. The equilibrium between keto-enolic forms has been studied by 1H NMR methods. Complete assignments of all the resonances in the 1H and 13C NMR spectra of Danazol have been made using a variety of one and two-dimensional correlation methods. 13C NMR spectra of all the intermediate and related model compounds were also assigned.

Rutacridone-epoxide, a New Acridone Alkaloid from Rut a graveolens

1981 ◽  
Vol 36 (3-4) ◽  
pp. 200-203 ◽  
Author(s):  
A. Nahrstedt ◽  
U. Eilert ◽  
B. Wolters ◽  
V. Wray
Keyword(s):  
Callus Tissue ◽  
Tissue Cultures ◽  
Ruta Graveolens ◽  
H Nmr ◽  
Acridone Alkaloid ◽  
Nmr Methods ◽  
C Nmr

Rutacridone-epoxide was isolated from roots and callus tissue cultures of Ruta graveolens L. and identified by 1H-NMR and 13C-NMR methods

scholarly journals Synthesis and In-vitro Antifungal Evaluation of 5- Pyrazolones

2016 ◽  
Vol 3 (1) ◽  
pp. 17-24 ◽  
Author(s):  
Poonam Gupta ◽  
Jitendra K. Gupta
Keyword(s):  
Candida Albicans ◽  
Antifungal Activity ◽  
Fungal Pathogens ◽  
Moderate Activity ◽  
Disc Diffusion ◽  
Standard Drug ◽  
H Nmr ◽  
Diffusion Technique ◽  
C Nmr

A series of 4-chloro-3-methyl-N-(substituted phenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1- carbothioamide were synthesized using earmark reaction of thiosemicarbazides and ethyl-2-chloroacetoacetate in DMF. All structures of the synthesized compounds were distinguished on the basis of IR,1H-NMR,13C-NMR and also elemental analysis. Synthesized Compounds were examined their potent antifungal activity using disc diffusion technique against three fungal pathogens vizAspergillus niger, Candida albicansandCurvularia. Fluconazole were used as standard drug respectively. All compounds exhibited good to moderate activity.

scholarly journals Synthesis and Biological Evaluation of Novel Piperazine Containing Hydrazone Derivatives

2016 ◽  
Vol 2016 ◽  
pp. 1-7 ◽  
Author(s):  
Betül Kaya ◽  
Yusuf Özkay ◽  
Halide Edip Temel ◽  
Zafer Asım Kaplancıklı
Keyword(s):  
Aromatic Aldehydes ◽  
Biological Evaluation ◽  
Standard Drug ◽  
H Nmr ◽  
Chemical Structures ◽  
Ft Ir ◽  
Inhibition Potency ◽  
New Compounds ◽  
Synthesis And Biological Evaluation ◽  
C Nmr

Some hydrazone derivatives were synthesized and their potential anticholinesterase activities were examined. A series of eleven new compounds of N′-(2,4-disubstitutedbenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)acetohydrazide derivatives were obtained via reaction of 2-[4-(4-nitrophenyl)piperazin-1-yl]acetohydrazide with aromatic aldehydes. The chemical structures of the compounds were enlightened by FT-IR,1H-NMR,13C-NMR, and HRMS (ESI) spectral data. The inhibition potency of the compounds3a–kagainst AChE and BuChE was measured and evaluated using a modification of Ellman’s spectrophotometric method. Among the tested compounds, compound3cwas assigned to be the most active derivative. Galantamine was used as a standard drug.

An examination of sodium alginate from Sargassum by NMR spectroscopy

1997 ◽  
Vol 75 (5) ◽  
pp. 585-590 ◽  
Author(s):  
Francisco Llanes ◽  
Françoise Sauriol ◽  
Frederick G. Morin ◽  
Arthur S. Perlin
Keyword(s):  
Nmr Spectroscopy ◽  
Curve Fitting ◽  
Brown Algae ◽  
Alginic Acid ◽  
Sargasso Sea ◽  
H Nmr ◽  
Reduced Viscosity ◽  
Curve Fitting Analysis ◽  
Proton Resonances ◽  
C Nmr

Alginic acid, obtained from Sargassum brown algae that drift from the Sargasso Sea to beaches in Cuba, has been examined as an aqueous solution by 1H and 13C NMR spectroscopy, and also in the solid state by MAS 13C NMR spectroscopy. Its composition is distinctive, relative to that for alginic acid from most other brown algae, in having a lower content of β-D-mannopyranosyluronic acid residues (M) than of α-L-gulopyranosyluronic acid residues (G). That is, M/G is ~0.6, whereas ratios of >1 have been reported for many other species, including Macrocystispyrifera, which was examined here as well. In acquiring the high-resolution spectra, partial depolymerization was used to give solutions of reduced viscosity; as is well known, this procedure may cause separation into fractions and the formation of sediments, examples of which are cited. Proton resonances of the reducing end units of chain-shortened segments of the polymers exhibited unusual, marked, line broadening at elevated temperature, which may reflect thermal dehydration. MAS 13C experiments offered the advantage of information about the intact alginate samples. Although the spectra consisted of broad, heavily overlapping peaks, curve-fitting analysis afforded qualitative and quantitative data that supplement those obtained with solutions of the polymers. Keywords: Sargassum alginate, 1H NMR of fractions, M/G constituent ratios, MAS 13C NMR, curve-fitting analysis.

Conformational structure of ethylene glycol dibenzoate. Vibrational and NMR spectra

1981 ◽  
Vol 46 (8) ◽  
pp. 1913-1929 ◽  
Author(s):  
Bohdan Schneider ◽  
Pavel Sedláček ◽  
Jan Štokr ◽  
Danica Doskočilová ◽  
Jan Lövy
Keyword(s):  
Ethylene Glycol ◽  
Vibrational Spectra ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
Conformational Structure ◽  
Infrared And Raman Spectra ◽  
H Nmr ◽  
Liquid States ◽  
Crystalline Forms ◽  
C Nmr

It was found that three crystalline forms of ethylene glycol dibenzoate can be prepared. Infrared and Raman spectra of these three forms, as well as of the glassy and liquid states, were measured. From 3JHH coupling constants obtained by analysis of the 13C satellite band of the -CH2- group in 1H NMR spectra, and from the 3JCH coupling constants of the -CO.O.CH2- fragment obtained by analysis of the carbonyl band in 13C NMR spectra it was found that in the liquid state the -CH2-CH2- group exists predominantly in the gauche conformational structure, and the bonds C-O-C-C assume predominantly a trans orientation. The results of the analysis of NMR and vibrational spectra were used for the structural interpretation of conformationally sensitive bands in vibrational spectra of ethylene glycol dibenzoate.

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