New nano-complexes of Zn(II), Cu(II), Ni(II) and Co(II) ions; spectroscopy, thermal, structural analysis, DFT calculations and antimicrobial activity application

2017 ◽  
Vol 1147 ◽  
pp. 452-461 ◽  
Author(s):  
Hoda F. El-Shafiy ◽  
M. Saif ◽  
Mahmoud M. Mashaly ◽  
Shimaa Abdel Halim ◽  
Mohamed F. Eid ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Structural Analysis ◽  
Dft Calculations

scholarly journals Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard’s T reagent

2017 ◽  
Vol 70 (21) ◽  
pp. 3702-3714 ◽  
Author(s):  
Mima Č. Romanović ◽  
Božidar Čobeljić ◽  
Andrej Pevec ◽  
Iztok Turel ◽  
Sonja Grubišić ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Dft Calculations ◽  
Condensation Product

scholarly journals Syntheses of epoxides, and structural analysis of ( E ) N -hexyl-3-( trans -3-methyloxiran-2-yl)prop-2-enamide by spectroscopic techniques and DFT calculations

2018 ◽  
Vol 1165 ◽  
pp. 312-317 ◽  
Author(s):  
Alex R. Aguiar ◽  
Elson S. Alvarenga ◽  
Ramon P. Oliveira ◽  
Vania Maria T. Carneiro ◽  
Luciano G. Moura
Keyword(s):  
Structural Analysis ◽  
Dft Calculations ◽  
Spectroscopic Techniques

Structural analysis and antimicrobial activity of 2[1H]-pyrimidinethione/selenone derivatives

2017 ◽  
Vol 1142 ◽  
pp. 261-266 ◽  
Author(s):  
Ewa Żesławska ◽  
Izabela Korona-Głowniak ◽  
Małgorzata Szczesio ◽  
Andrzej Olczak ◽  
Alicja Żylewska ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Structural Analysis

Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides

RSC Advances ◽  
2016 ◽  
Vol 6 (115) ◽  
pp. 114224-114234 ◽  
Author(s):  
Nidhi Sharma ◽  
Sanjeev Kumar ◽  
Indresh K. Maurya ◽  
K. K. Bhasin ◽  
Ajay Verma ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Structural Analysis ◽  
Synergistic Effects ◽  
Antimicrobial Evaluation

Synthesis and structural analysis of novel imidazo[1,2-a]pyrimidine chalcogenides exhibiting effective antimicrobial activity and synergistic effects with known antibiotics have been reported.

Structural Analysis, Molecular Docking and DFT Calculations of Bis(Pyrazolium Picrate) Monohydrate Interaction with Calf Thymus DNA and Microbes

2017 ◽  
Vol 2 (29) ◽  
pp. 9298-9311 ◽  
Author(s):  
Sundarrajan Balachandar ◽  
Munusamy Dhandapani ◽  
Israel Vijayan Muthu Vijayan Enoch ◽  
Soundrapandian Suganthi
Keyword(s):  
Molecular Docking ◽  
Structural Analysis ◽  
Dft Calculations ◽  
Calf Thymus Dna ◽  
Calf Thymus

Advances in Structural Analysis of Fluoroaluminates Using DFT Calculations of27Al Electric Field Gradients

2007 ◽  
Vol 111 (46) ◽  
pp. 11873-11884 ◽  
Author(s):  
M. Body ◽  
C. Legein ◽  
J.-Y. Buzaré ◽  
G. Silly ◽  
P. Blaha ◽  
...  
Keyword(s):  
Structural Analysis ◽  
Electric Field ◽  
Dft Calculations ◽  
Electric Field Gradients ◽  
Field Gradients

scholarly journals Antibacterial Activity of Amidodithiophosphonato Nickel(II) Complexes: An Experimental and Theoretical Approach

Molecules ◽  
2020 ◽  
Vol 25 (9) ◽  
pp. 2052 ◽  
Author(s):  
Enrico Podda ◽  
Massimiliano Arca ◽  
Giulia Atzeni ◽  
Simon J. Coles ◽  
Antonella Ibba ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Staphylococcus Aureus ◽  
Antimicrobial Activity ◽  
Antibacterial Activity ◽  
Dft Calculations ◽  
Density Functional ◽  
Bond Cleavage ◽  
Nickel Complexes ◽  
Functional Theory ◽  
Gram Negative

The reactions of 2,4-bis(4-methoxyphenyl)-1,3-dithio-2,4-diphosphetane-2,4-disulfide (Lawesson’s Reagent, LR) with benzylamine (BzNH2) and 4-phenylbutylamine (PhBuNH2) yield benzylammonium P-(4-methoxyphenyl)-N-benzyl-amidodithiophosphonate (BzNH3)(BzNH-adtp) and 4-phenylbutylammonium P-(4-methoxyphenyl)-N-(4-phenylbutyl)-amidodithiophosphonate (PhBuNH3)(PhBuNH-adtp). The relevant nickel complexes [Ni(BzNH-adtp)2] and [Ni(PhBuNH-adtp)2] and the corresponding hydrolysed derivatives (BzNH3)2[Ni(dtp)2] and (PhBuNH3)2[Ni(dtp)2] were prepared and fully characterized. The antimicrobial activity of the aforementioned amidodithiophosphonates against a set of Gram-positive and Gram-negative pathogen bacteria was evaluated, and [Ni(BzNH-adtp)2] and [Ni(PhBuNH-adtp)2] showed antiproliferative activity towards Staphylococcus aureus and Staphylococcus haemolyticus strains. density functional theory (DFT) calculations were performed to shed some light on the activity of reported compounds related to their tendency towards P–N bond cleavage.

Sign in / Sign up

Export Citation Format

Share Document