scholarly journals Structural Characterization, DFT Geometry Optimization, Cyclic Voltammetry and Biological Assay of (Tellurite-pyridine) Mixed Ligandcomplexesof Cd(II)

2022 ◽  
Author(s):  
M. N. Abd El-Hady ◽  
E. A. Gomaa ◽  
Rania Zaky ◽  
S. E. Elafifi
Keyword(s):  
Cyclic Voltammetry ◽  
Research Work ◽  
Geometry Optimization ◽  
Experimental Investigations ◽  
Pyridyl Ligands ◽  
H Nmr ◽  
Anti Oxidant ◽  
Antibacterial And Antifungal ◽  
C Nmr

Abstract This research work presents spectral characterizations (IR, 1H NMR and 13C NMR) of anionic tellurito Cd(II) complexes that prepared using cyanopyridine derivatives as a polydentate ligands. Also, X-ray based techniques involving (EDX and XRD) are applied for cadmium complexes to realize elemental composition and average crystallographic coherence. Moreover, the electrochemical studies represented on cyclic voltammetry are determined for Cd)II) in (absence/presence) of ligands to detect the role of complexation in solution measurements. All the previous experimental investigations are supported with molecular modeling of the geometric optimized structures based on density function theory (DFT) for all compounds accompanied by the calculations of different energetic parameters such as EHOMO and ELUMO. Finally, anti-microbial (antibacterial and antifungal), anti-oxidant and Bleomycin dependent DNA damage are screened for all samples to predict the influence of metal complex formation on the biological activity of pyridyl ligands besides their priority.

scholarly journals Synthesis and Antimicrobial Screening of Novel 4-Substituted Phenyl-5-[1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-yl]-2H-1,2,4-triazole-3-thiones

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Namratha Bhandari ◽  
Santosh L. Gaonkar
Keyword(s):  
Convenient Method ◽  
Nmr Spectra ◽  
Spectral Studies ◽  
Antimicrobial Screening ◽  
Antifungal Activities ◽  
H Nmr ◽  
Antibacterial And Antifungal Activities ◽  
Elemental Analyses ◽  
Antibacterial And Antifungal ◽  
C Nmr

The paper describes a convenient method for the preparation of 4-substituted phenyl-5-[1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-yl]-2H-1,2,4-triazole-3-thiones. The structures of the synthesized compounds are established by the results of LCMS, 1H NMR, 13C NMR, and IR and elemental analyses. The mercaptotriazoles are indicated to be in thione form by 1H NMR spectra. All the synthesized compounds have been screened for antibacterial and antifungal activities. Compounds 12d and 12h exhibit encouraging results, while the remaining compounds show moderate activities. On the basis of spectral studies, formation of 2-amino-1,3,4-thiadiazoles from the isobenzofuran acyl thiosemicarbazides 11(a–h) is ruled out.

Lactaran Sesquiterpen Velleral Dari Kulit Batang Tumbuhan Drymis beccariana Gibbs. (Winteraceae) yang Bersifat Sitotoksik dan Antimikroba

2012 ◽  
Vol 8 (1) ◽  
Author(s):  
Bimo Budi Santoso ◽  
Darma Santi ◽  
Markus H. Langsa ◽  
Rina Mogea
Keyword(s):  
Bioactive Compound ◽  
Stem Bark ◽  
Artemia Salina ◽  
Leukemia Cells ◽  
Antibacterial And Antifungal Activity ◽  
H Nmr ◽  
Potential Source ◽  
Staphyloccocus Aureus ◽  
Antibacterial And Antifungal ◽  
C Nmr

<em>Isolation guided by brine-shrimp ( Artemia salina) bioassay from the stem bark of .Drymis beccariana Gibbs. led to isolate a bioactive compound called Velleral (<strong>1</strong>) ((3aS,8aS)-2,2,8-trimethyl-3,3a.6.8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde).The structure of this compound was elucidated based on physical and spectroscopic data (UV, IR, , <sup>1</sup>H NMR, <sup>13</sup>C-NMR and&nbsp; GC-MS). This compound showed significant active in the&nbsp; A. salina bioassay with IC<sub>50</sub> 2.92 &micro;g/mL and &nbsp;exhibited siginificant cytotoxicity against&nbsp; murine P-388 leukemia cells with IC<sub>50</sub> 3,39 &mu;g /mL.Moreover, the compound exhibited antibacterial and antifungal activity especially against&nbsp; Staphyloccocus aureus&nbsp; ATCC 25923 and Candida albians respectively. This result indicates that stem bark of D. beccariana is a potential source of bioactive compounds</em><em>.</em>

Numerical Analysis of Bearing Capacity of Suction Caisson

2008 ◽  
Author(s):  
Mahmoud Ghazavi ◽  
Kazem Barkhordari ◽  
Hooman Dabirmanesh
Keyword(s):  
Bearing Capacity ◽  
Research Work ◽  
Geometry Optimization ◽  
Uplift Capacity ◽  
Cross Sectional ◽  
Taper Angle ◽  
Suction Caisson ◽  
Parametric Studies

This paper presents a finite element modeling for determination of bearing capacity of a suction caisson subjected to vertical uplift loading. The approach looks at the uplift capacity of the caisson considering a non-uniform cross sectional area to account for a geometry optimization. For this purpose, the numerical simulation is first verified using available data from other research work especially centrifuge data. Parametric studies are then performed to investigate the role of influencing factors including taper angel. The results show that the bearing capacity of caisson increases with increasing the taper angle.

Novel mono- and heterobimetallic chromium−nickel s-indacene complexes: synthesis, characterization, and DFT studies

2014 ◽  
Vol 92 (7) ◽  
pp. 677-683 ◽  
Author(s):  
Cesar Morales-Verdejo ◽  
Eduardo Schott ◽  
Ximena Zarate ◽  
Juan Manuel Manriquez
Keyword(s):  
Cyclic Voltammetry ◽  
Elemental Analysis ◽  
Molecular System ◽  
Theoretical Calculations ◽  
Dft Studies ◽  
Nickel Compound ◽  
H Nmr ◽  
Bridging Ligand ◽  
Ft Ir ◽  
C Nmr

The preparation of a novel heterobimetallic chromium−nickel compound (3), including 2,6-diethyl-4,8-dimethyl-5-hydroindacenide (IcH′) as bridging ligand was successfully achieved and it was characterized by means of 1H NMR, 13C NMR, and FT-IR spectroscopies and elemental analysis. Cyclic voltammetry studies were performed for complex 3 as well as for its respective mononuclear species. Theoretical calculations of this compound were carried out to gain further understanding of this novel molecular system.

scholarly journals Synthesis of (E)-(4-(Aryl)phenyl)(3-(2-(1-phenyl-3-(thiophen-2-yl)-1Hpyrazol-4-yl)vinyl)benzofuran-2-yl)methanones by Claisen Schmidt-Suzuki Cross Coupling and their Antibacterial and Antifungal Activity

2017 ◽  
Vol 61 (3) ◽  
Author(s):  
Ashok Dongamanti ◽  
Mohammad Ziauddin ◽  
Bommidi Vijaya Lakshmi ◽  
Madderla Sarasija
Keyword(s):  
Antifungal Activity ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Bacterial Strains ◽  
Mass Spectral ◽  
H Nmr ◽  
Cross Coupling Reaction ◽  
Antibacterial And Antifungal ◽  
C Nmr

A series of ten novel (<em>E</em>)-(4-(aryl)phenyl)(3-(2-(1-phenyl-3- (thiophen-2-yl)-1<em>H</em>-pyrazol-4-yl)vinyl)benzofuran-2-yl)methanones (<strong>7a-j</strong>) derivatives were prepared by traditional Claisen-Schmidt and Suzuki cross-coupling reaction under conventional and microwave irradiation conditions. The structures of all the newly synthesized compounds were established on the basis of FTIR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, mass spectral data and elemental analysis. The products were assayed for their <em>in vitro</em> antibacterial activity against different types of bacterial strains. Further the antifungal activity was examined by inhibitory action against three fungal strains such as <em>Aspergillus niger</em>, <em>Aspergillus flavus</em> and <em>Fusarium oxysporum</em>.

scholarly journals Microwave Induced Improved Synthesis of Some Novel Substituted 1, 3-Diarylpropenones and their Antimicrobial Activity

2011 ◽  
Vol 8 (2) ◽  
pp. 665-670 ◽  
Author(s):  
K. L. Ameta ◽  
Biresh Kumar ◽  
Nitu S. Rathore
Keyword(s):  
Simple Procedure ◽  
Aromatic Aldehydes ◽  
Solid Support ◽  
Fast Reaction ◽  
H Nmr ◽  
Reaction Condition ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal ◽  
Substituted 1 ◽  
C Nmr

Application of solid support, solvent free reaction condition and a dynamic microwave power system in the chemical synthesis of some novel 1, 3-diaryl-propenones has been described. A series of chalcones(3a-h)were synthesized by the condensation of 4-hydroxy-3,5-dinitroacetophenone with various substituted aromatic aldehydes in presence of montmorrilonite K10 as a catalyst and solid support media under microwave irradiation. The protocol offers several advantages such as simple procedure, fast reaction rate, mild reaction condition, eco-friendly and improved yield as compared to conventional methods. These compounds have been screened for their antibacterial and antifungal activities against different microorganisms. The structures of novel synthesized compounds have been established on the basis of elemental analysis,1H NMR,13C NMR and IR spectral data.

scholarly journals Synthesis andIn VitroBiological Evaluation of Aminonaphthoquinones and Benzo[b]phenazine-6,11-dione Derivatives as Potential Antibacterial and Antifungal Compounds

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Amaç Fatih Tuyun ◽  
Nilüfer Bayrak ◽  
Hatice Yıldırım ◽  
Nihal Onul ◽  
Emel Mataraci Kara ◽  
...  
Keyword(s):  
Spectral Properties ◽  
Antifungal Compounds ◽  
New Members ◽  
Gram Positive Bacteria ◽  
H Nmr ◽  
Antibacterial And Antifungal Activities ◽  
Aryl Amines ◽  
Antibacterial And Antifungal ◽  
C Nmr

A series of 2-arylamino-3-chloro-1,4-naphthoquinone derivatives (3a–h) by the reaction of 2,3-dichloro-1,4-naphthoquinone with aryl amines (2a–h) and benzo[b]phenazine-6,11-dione derivatives (4a–c) by the treatment of 2-arylamino-3-chloro-1,4-naphthoquinone derivatives (3a–h) with sodium azide were synthesized and tested for theirin vitroantibacterial and antifungal activities. The results suggest that compounds3dand3ghad potent antifungal activity againstCandida albicans(MIC = 78.12 μg/mL). All synthesized compounds (3a–h,4a–c) possessed activity againstE. faecaliswith MIC values of between 312.5 and 1250 μg/mL. Benzo[b]phenazine-6,11-dione derivatives (4a–c) were mostly active against Gram-positive bacteria. The structures of the new members of the series were established on the basis of their spectral properties (IR,1H NMR,13C NMR, and mass spectrometry).

scholarly journals Photoinduced Synthesis of New Diisochromenochromen-4-ones and Their Antimicrobial Activities

2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Mohamad Yusuf ◽  
Indu Solanki ◽  
Payal Jain
Keyword(s):  
Escherichia Coli ◽  
Staphylococcus Aureus ◽  
Pseudomonas Aeruginosa ◽  
Antimicrobial Activities ◽  
Significant Activity ◽  
Rigorous Analysis ◽  
H Nmr ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal ◽  
C Nmr

The diisochromenochromen-4-one3a-3b,4a-4c,5a-6a  & 7have been prepared from the photocyclization reaction of bischromen-4-one2a-2e. The later compounds are obtained from the O-alkylation of the suitable 3-hydroxy-2-aryl-4H-chromen-4-one1a-1ewith 4,4′-bischloromethyl-diphenyl in dry acetone, anhydrous K2CO3, and PTC (Bu4N+I−) under refluxing conditions. The structures of compounds2a-2e,3a-3b,4a-4c,5a-6a  & 7have been characterized from the rigorous analysis of their IR,1H-NMR,13C-NMR, ESI-Mass, and elemental analysis. The antibacterial and antifungal activities of the synthesized products were also evaluated against theKlebsiella pneumoniae, Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus, Bacillus subtilis, andAspergillus janusandPenicillium glabrum, respectively. Some of the tested compounds showed significant activity against the above-said microorganisms.

scholarly journals Synthesis and Antimicrobial Activity of New Schiff Base Compounds Containing 2-Hydroxy-4-pentadecylbenzaldehyde Moiety

2014 ◽  
Vol 2014 ◽  
pp. 1-9 ◽  
Author(s):  
Gadada Naganagowda ◽  
Reinout Meijboom ◽  
Amorn Petsom
Keyword(s):  
Schiff Base ◽  
Acid Hydrazide ◽  
Heterocyclic Amines ◽  
Antibacterial And Antifungal Activity ◽  
Mass Spectral Data ◽  
Mass Spectral ◽  
H Nmr ◽  
Carboxylic Acid Hydrazide ◽  
Antibacterial And Antifungal ◽  
C Nmr

Various novel Schiff base compounds have been synthesized by reaction of 2-hydroxy-4-pentadecylbenzaldehyde with substituted benzothiophene-2-carboxylic acid hydrazide and different substituted aromatic or heterocyclic amines in the presence of acetic acid in ethanol. The structures of all these compounds were confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR, and mass spectral data and have been screened for antibacterial and antifungal activity.

Synthesis, structure and spectroscopic properties of a porphycene-ReI complex

2011 ◽  
Vol 15 (07n08) ◽  
pp. 622-631 ◽  
Author(s):  
Weina Zhang ◽  
Yi Chang ◽  
Fan Wu ◽  
John Mack ◽  
Nagao Kobayashi ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Single Crystal ◽  
Spectroscopic Properties ◽  
Free Base ◽  
X Ray ◽  
H Nmr ◽  
New Type ◽  
Uv Visible ◽  
C Nmr

A new type of rhenium(I) tricarbonyl porphycene complex is reported based on a reaction between free-base 2,3,6,7,12,13,16,17-octaethylporphycene (H2OEPc) and Re(CO)5Cl . As is the case with tetraphenylporphyrin (TPP), a complex containing only one Re(CO)3 groups, which retains a pyrrole proton, can be isolated and characterized in addition to a bis- Re(I) complex. The ReI(HOEPc)(CO)3 complex was characterized by 1H NMR, 13C NMR, MS, IR, UV-visible, and MCD spectroscopy and cyclic voltammetry. A single crystal was successfully obtained, which enabled the determination of the X-ray structure.

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