Mohamed Khaled Hassan Awad

Publications

List of Publications

Metal complexes of new thiocarbohydrazones of Cu(I), Co(II), and Ni(II); identification by NMR, IR, mass, UV spectra, and DFT calculations ,August 2023

Publisher

Journal of Sulfur Chemistry

Research Type

مشترك

Date of acceptance

Publishing Date

8/17/2023

Google Scholar

Abstract

Revealing the contributions of DFT to the spectral interpretation for an amino benzoyl thiourea derivative: Insights into experimental studies from theoretical perspectives, and biological evaluation ,July 2023

Publisher

N.J.Chem.

Research Type

مشترك

Date of acceptance

Publishing Date

7/14/2023

Google Scholar

Abstract

Design, Synthesis, Computational Investigations, and Antitumor Evaluation of N-Rhodanine Glycosides Derivatives as Potent DNA Intercalation and Topo II Inhibition against Cancer Cells ,May 2023

Publisher

ACS OMEGA

Research Type

مشترك

Date of acceptance

Publishing Date

5/11/2023

Google Scholar

Abstract

Synthesis, DFT, molecular dynamics, and Monte Carlo simulation of a novel thiourea derivative with extraordinary inhibitive properties for mild steel in 0.5 M sulphuric acid ,March 2023

Publisher

Physical Chemistry Chemical Physics

Research Type

مشترك

Date of acceptance

Publishing Date

3/16/2023

Google Scholar

Abstract

Design, synthesis, molecular modelling and antitumor evaluation of S-glucosylated rhodanines through topo II inhibition and DNA intercalation ,February 2023

Publisher

Journal of Enzyme Inhibition and Medicinal Chemistry

Research Type

مشترك

Date of acceptance

Publishing Date

2/16/2023

Google Scholar

Abstract

Resorcinol Derivative as an Environmentally Friendly Low Carbon Steel Inhibitor in HCl Medium ,November 2022

Publisher

ACS OMEGA

Research Type

مشترك

Date of acceptance

Publishing Date

11/17/2022

Google Scholar

Abstract

Structural, DFT calculations and photophysical and photochemical characteristics of 1-((E)-2-phenylethenyl)-2-(4-(2-((E)-2-phenylethenyl) phenoxy) butoxy) benzene (PPPBB) ,November 2022

Publisher

Canadian Journal of Chemistry

Research Type

مشترك

Date of acceptance

Publishing Date

11/16/2022

Google Scholar

Abstract

New Theoretical Insights about Anticorrosive Effects and Adsorption Mechanism of Some α-Amino Acids on Al Surface: DFT, MEP, FMO, NBO, QSAR, Fukui Functions and Monte Carlo Simulation ,November 2022

Publisher

Protection of Metals and Physical Chemistry of Surfaces,

Research Type

مشترك

Date of acceptance

Publishing Date

11/10/2022

Google Scholar

Abstract

Design, synthesis, and computational explorations of novel 2-thiohydantoin nucleosides with cytotoxic activities ,October 2022

Publisher

Journal of Heterocyclic Chemistry,

Research Type

مشترك

Date of acceptance

Publishing Date

10/14/2022

Google Scholar

Abstract

Molecular dynamic simulation studies and surface characterization of carbon steel corrosion with changing green inhibitors concentrations and temperatures ,July 2022

Publisher

Alexandria Engineering Journal

Research Type

مشترك

Date of acceptance

Publishing Date

7/15/2022

Google Scholar

Abstract

Design, synthesis and biological evaluation of novel thiohydantoin derivatives as antiproliferative agents: A combined experimental and theoretical assessments ,January 2022

Publisher

Journal of Molecular Structure

Research Type

مشترك

Date of acceptance

1/1/2022

Publishing Date

1/1/2022

Google Scholar

Abstract

Molecular dynamic simulation studies and surface characterization of carbon steel corrosion with changing green inhibitors concentrations and temperatures ,January 2022

Publisher

Alexandria Engineering Journalthis link is disabled

Research Type

منفرد

Date of acceptance

1/1/2022

Publishing Date

1/1/2022

Google Scholar

Abstract

Design, synthesis and computational explorations of novel 2?thiohydantoin nucleosides with cytotoxic activities ,January 2021

Publisher

Journal of Heterocyclic Chemistry

Research Type

مشترك

Date of acceptance

1/1/2021

Publishing Date

1/1/2021

Google Scholar

Abstract

Chemical, electrochemical, theoretical (DFT & MEP), thermodynamics and surface morphology studies of carbon steel during gas and oil production using three novel di-cationic amphiphiles as corrosion inhibitors in acidic medium ,January 2021

Publisher

Journal of Molecular Liquids

Research Type

مشترك

Date of acceptance

1/1/2021

Publishing Date

1/1/2021

Google Scholar

Abstract

Design, synthesis, DFT, molecular modelling studies and biological evaluation of novel 3-substituted (E)-5-(arylidene)-1-methyl-2-thioxoimidazolidin-4-ones with potent cytotoxic activities against breast MCF-7, liver HepG2, and lung A549 ,January 2021

Publisher

Journal of Molecular Structure

Research Type

مشترك

Date of acceptance

1/1/2021

Publishing Date

1/1/2021

Google Scholar

Abstract

New N-ribosides and N-mannosides of rhodanine derivatives with anticancer activity on leukemia cell line: Design, synthesis, DFT and molecular modelling studies ,January 2020

Publisher

Carbohyd. Res

Research Type

مشترك

Date of acceptance

Publishing Date

1/10/2020

Google Scholar

Abstract

Spectroscopic Characterization, Molecular Modeling and DFT/TD-DFT/PCM Calculations of Novel Hydrogen-Bonded Charge Transfer Complex between Chloranilic Acid and 2-Amino-4, 6-Dimethylpyridine ,January 2020

Publisher

Open Journal of Physical Chemistry

Research Type

مشترك

Date of acceptance

1/1/2020

Publishing Date

1/1/2020

Google Scholar

Abstract

New Zn (II) and Cd (II) complexes of 2, 4?dihydroxy?5?[(5?mercapto?1H?1, 2, 4?triazole?3?yl) diazenyl] benzaldehyde: Synthesis, structural characterization, molecular modeling and docking studies, DNA binding and biological activity ,January 2020

Publisher

Applied Organometallic Chemistry

Research Type

مشترك

Date of acceptance

1/1/2020

Publishing Date

1/1/2020

Google Scholar

Abstract

New N-ribosides and N-mannosides of rhodamine derivatives for suppressing leukemia cell line growth ,January 2020

Publisher

Journal of Clinical Haematology

Research Type

مشترك

Date of acceptance

1/1/2020

Publishing Date

1/1/2020

Google Scholar

Abstract

Synthesis, molecular modeling, TD?DFT, antimicrobial, and in vitro therapeutic activity of new spherical nano?sized sulfonamide imine ligands and their zinc (II) and copper (II) complexes ,January 2020

Publisher

Applied Organometallic Chemistry

Research Type

مشترك

Date of acceptance

1/1/2020

Publishing Date

1/1/2020

Google Scholar

Abstract

Molecular Docking, Molecular Modeling, Vibrational and Biological Studies of Some New heterocyclic α-Aminophosphonates ,August 2019

Publisher

SpectroChim. Acta

Research Type

مشترك

Date of acceptance

Publishing Date

8/15/2019

Google Scholar

Abstract

High performance corrosion inhibition of novel tricationic surfactants on carbon steel in formation water: Electrochemical and computational evaluations ,March 2019

Publisher

J. Mol. Liquids

Research Type

مشترك

Date of acceptance

Publishing Date

3/14/2019

Google Scholar

Abstract

Design, synthesis, molecular modeling, and biological evaluation of novel α-aminophosphonates based quinazolinone moiety as potential anticancer agents: DFT, NBO and vibrational studies ,May 2018

Publisher

J. Mol. Struct

Research Type

مشترك

Date of acceptance

Publishing Date

5/19/2018

Google Scholar

Abstract

Pd (II) complexes of bidentate chalcone ligands: Synthesis, spectral, thermal, antitumor, antioxidant, antimicrobial, DFT and SAR studies ,May 2018

Publisher

Journal of Molecular Structure

Research Type

مشترك

Date of acceptance

Publishing Date

5/15/2018

Google Scholar

Abstract

Design, Synthesis and Docking study of Novel Imidazolyl Pyrazolopyridine Der-ivatives as Antitumor Agents Targeting MCF7 Cell Line ,January 2018

Publisher

Current Organic Synthesis

Research Type

مشترك

Date of acceptance

Publishing Date

1/1/2018

Google Scholar

Abstract

Factors Influencing the Potency of Alzheimer Inhibitors: Computational and Docking Studies ,January 2018

Publisher

American Journal of Alzheimer's Disease & Other Dementias®

Research Type

مشترك

Date of acceptance

Publishing Date

1/1/2018

Google Scholar

Abstract

New Ni (II), Pd (II) and Pt (II) complexes coordinated to azo pyrazolone ligand with a potent anti‐tumor activity: Synthesis, characterization, DFT and DNA cleavage studies ,January 2018

Publisher

Applied Organometallic Chemistry

Research Type

مشترك

Date of acceptance

Publishing Date

1/1/2018

Google Scholar

Abstract

New Ni (II), Pd (II) and Pt (II) complexes coordinated to azo pyrazolone ligand with a potent anti?tumor activity: Synthesis, characterization, DFT and DNA cleavage studies ,January 2018

Publisher

Applied Organometallic Chemistry

Research Type

مشترك

Date of acceptance

1/1/2018

Publishing Date

1/1/2018

Google Scholar

Abstract

High performance corrosion inhibition of novel tricationic surfactants on carbon steel in formation water: Electrochemical and computational evaluations ,January 2018

Publisher

Journal of Molecular Liquids

Research Type

مشترك

Date of acceptance

1/1/2018

Publishing Date

1/1/2018

Google Scholar

Abstract

Synthesis of New ?-Amino Phosphonates Containing 3-Amino-4 (3H) Quinazolinone Moiety as Anticancer and Antimicrobial Agents: DFT, NBO, and Vibrational Studies ,January 2018

Publisher

Current Organic Synthesis

Research Type

مشترك

Date of acceptance

1/1/2018

Publishing Date

1/1/2018

Google Scholar

Abstract

Design, synthesis, molecular modeling, and biological evaluation of novel ?-aminophosphonates based quinazolinone moiety as potential anticancer agents: DFT, NBO and vibrational studies ,January 2018

Publisher

Journal of Molecular Structure

Research Type

مشترك

Date of acceptance

1/1/2018

Publishing Date

1/1/2018

Google Scholar

Abstract

Molecular docking, molecular modeling, vibrational and biological studies of some new heterocyclic ?-aminophosphonates ,January 2018

Publisher

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Research Type

منفرد

Date of acceptance

1/1/2018

Publishing Date

1/1/2018

Google Scholar

Abstract

Anticancer, Antimicrobial and DFT Studies of Novel Synthesized Series of ?-aminophosphonate Compounds Containing 3-amino-4 (3H) quinazolinone moiety ,January 2017

Publisher

Delta Journal of Science

Research Type

مشترك

Date of acceptance

1/1/2017

Publishing Date

1/1/2017

Google Scholar

Abstract

Design of blue fluorescence emitter star-shaped macromolecules based on pyrene and anthracene ,August 2016

Publisher

Polymer

Research Type

مشترك

Date of acceptance

Publishing Date

8/19/2016

Google Scholar

Abstract

Design of piperazine organoiron macromolecules with antibacterial and anticancer activity ,April 2016

Publisher

Macromolecular Chemistry and Physics

Research Type

مشترك

Date of acceptance

Publishing Date

4/1/2016

Google Scholar

Abstract

Quantum chemical studies and atomistic simulations of some inhibitors for the corrosion of al surface ,January 2016

Publisher

Protection of Metals and Physical Chemistry of Surfaces

Research Type

مشترك

Date of acceptance

Publishing Date

1/1/2016

Google Scholar

Abstract

An Assessment of the Validity of Different Methods for the Description of Some Corrosion Inhibitors ,November 2014

Publisher

.J. Mol. Model

Research Type

مشترك

Date of acceptance

11/11/2014

Publishing Date

11/11/2014

Google Scholar

Abstract

Dielectrical, conduction mechanism and thermal properties of rhodanine azodyes ,November 2014

Publisher

Mater. Sci. Semicond. Process

Research Type

مشترك

Date of acceptance

11/10/2014

Publishing Date

11/10/2014

Google Scholar

Abstract

Three novel di-quaternary ammonium salts as corrosion inhibitors for API X65 steel pipeline in acidic solution. Part I: Experimental results. ,October 2014

Publisher

Corrosion Science

Research Type

مشترك

Date of acceptance

10/8/2014

Publishing Date

10/8/2014

Google Scholar

Abstract

Molecular Structure of Amino Alcohols on Aluminum Surface ,July 2014

Publisher

J. Mol. Struct

Research Type

مشترك

Date of acceptance

7/16/2014

Publishing Date

7/16/2014

Google Scholar

Abstract

Computational Simulation of the Effect of Quantum Chemical Parameters on the Molecular Docking of HMG-CoA Reductase Drugs ,March 2014

Publisher

J. Mol. Struct

Research Type

مشترك

Date of acceptance

3/13/2014

Publishing Date

3/13/2014

Google Scholar

Abstract

MP2 and DFT theoretical studies of the geometry, vibrational and electronic absorption spectra of 2-aminopyrimidine ,November 2013

Publisher

Res. Chem. Intermed

Research Type

مشترك

Date of acceptance

11/14/2013

Publishing Date

11/14/2013

Google Scholar

Abstract

Quantitative Structure-Trypanocidal Activity Relationship Analysis of Phenothiazine Derivatives ,October 2013

Publisher

Indian J. Appl. Res

Research Type

مشترك

Date of acceptance

3/14/2013

Publishing Date

10/17/2013

Google Scholar

Abstract

Quantum Chemical Studies and Molecular modeling of the Effect of Poly Ethylene Glycol as Corrosion Inhibitors of Aluminum Surface. ,October 2013

Publisher

Can. J. Chem

Research Type

منفرد

Date of acceptance

10/9/2013

Publishing Date

10/9/2013

Google Scholar

Abstract

QSAR Studies for the Computational Prediction of HMG-CoA Reductase Inhibitors by Genetic Function Approximation Technique. ,March 2013

Publisher

Can. J. Chem

Research Type

مشترك

Date of acceptance

3/21/2013

Publishing Date

3/21/2013

Google Scholar

Abstract

Potentiodynamic and Quantum Studies of Some Amino Acids as Corrosion Inhibitors for Copper ,December 2012

Publisher

Int. J. Electrochem. Sci.

Research Type

مشترك

Date of acceptance

12/21/2012

Publishing Date

12/21/2012

Google Scholar

Abstract

Modification of the Electric Properties of Molecular Devices Via Gradual Increase of Number of Nitrogen Atoms: A Computational Study ,November 2012

Publisher

Organ. Electron

Research Type

مشترك

Date of acceptance

11/28/2012

Publishing Date

11/28/2012

Google Scholar

Abstract

The effect of constitutional and conformational isomerization on the electrical properties of diblock molecular diode ,October 2011

Publisher

Organ. Electron

Research Type

مشترك

Date of acceptance

10/25/2011

Publishing Date

10/25/2011

Google Scholar

Abstract

Synthesis, characterization and biological activity studies of copper (II) metal (II) binuclear complexes of dipyridylglyoxal bis (2-hydroxybenzoyl hydrazone). ,November 2010

Publisher

J. Coord. Chem

Research Type

مشترك

Date of acceptance

11/24/2010

Publishing Date

11/24/2010

Google Scholar

Abstract

DFT Theoretical Studies of Antipyrine Schiff bases as corrosion inhibitors ,October 2010

Publisher

Materials and Corrosion

Research Type

مشترك

Date of acceptance

10/27/2010

Publishing Date

10/27/2010

Google Scholar

Abstract

Effect of Applied Voltage on the Geometrical and Electronic Structures of Dipyrimidinyl-Diphenyl Diblock as a Molecular Diode: A DFT Study ,October 2010

Publisher

J. Phys. Chem

Research Type

مشترك

Date of acceptance

10/26/2010

Publishing Date

10/26/2010

Google Scholar

Abstract

The role of structural chemistry in the inhibitive performance of some aminopyrimidines on the corrosion of steel ,October 2010

Publisher

Corros. Sci

Research Type

مشترك

Date of acceptance

10/12/2010

Publishing Date

10/12/2010

Google Scholar

Abstract

Computational Simulation of the Molecular Structure of Some Triazoles as Inhibitors for the Corrosion of Metal Surface ,September 2010

Publisher

J. Mol. Struct. (THEOCHEM

Research Type

مشترك

Date of acceptance

9/16/2010

Publishing Date

9/16/2010

Google Scholar

Abstract

Solvatochromism, molecular and electronic structures of trans and cis isomers of a typicalstyryl pyridinium cyanine dye ,January 2009

Publisher

J. Mol. Struct

Research Type

مشترك

Date of acceptance

1/22/2009

Publishing Date

1/22/2009

Google Scholar

Abstract

Quantum Chemical Studies on the Inhibition of Corrosion of Copper Surface by Substituted Uracils. ,March 2008

Publisher

Appl. Surf. Sci

Research Type

مشترك

Date of acceptance

3/13/2008

Publishing Date

3/13/2008

Google Scholar

Abstract

Mechanism of water attacking on Brooker’s merocyanine dye and its effect on the molecular and electronic structures: Theoretical study ,March 2006

Publisher

Bull. Chem. Soc. Japan

Research Type

مشترك

Date of acceptance

3/17/2006

Publishing Date

3/17/2006

Google Scholar

Abstract

Absorption, fluorescence, and semiempirical ASED-MO studies on a typical Brooker’s merocyanine dye ,March 2005

Publisher

J. Molecular Struct

Research Type

مشترك

Date of acceptance

3/17/2005

Publishing Date

3/17/2005

Basic Information