T. Shoeib

Publications53
h-index20
Citations1,080
Highly Influential Citations33
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Levels of polybrominated diphenyl ethers and novel flame retardants in microenvironment dust from Egypt: an assessment of human exposure.
  • Y. Hassan, T. Shoeib
  • Chemistry, Medicine
  • The Science of the total environment
  • 1 February 2015
There are very few studies reporting concentrations of polybrominated diphenyl ethers (PBDEs) and novel flame retardants (FRs) or non-PBDEs in Africa and the Middle East. The present work reported… Expand
  • 65
  • 11
Proton migration and tautomerism in protonated triglycine.
Proton migration in protonated glycylglycylglycine (GGG) has been investigated by using density functional theory at the B3LYP/6-31++G(d,p) level of theory. On the protonated GGG energy hypersurface… Expand
  • 99
  • 3
  • PDF
Silver ion binding energies of amino acids: Use of theory to assess the validity of experimental silver ion basicities obtained from the kinetic method
The complexes of silver ion, Ag+, with the twenty naturally occurring amino acids have been calculated using hybrid density functional theory at the B3LYP/DZVP level. For all of these silver… Expand
  • 96
  • 3
  • PDF
Organophosphate esters in house dust: A comparative study between Canada, Turkey and Egypt.
Organophosphate esters (OPEs) are commonly used as flame retardants (FRs) and plasticizers. The usage of OPEs has increased recently due to the ban of several brominated flame retardants, but… Expand
  • 20
  • 2
A Study of Silver (I) Ion−Organonitrile Complexes: Ion Structures, Binding Energies, and Substituent Effects
Density functional calculations at B3LYP/DZVP are used to obtain the binding enthalpies and free energies for the reaction Ag+ + XCN → AgNCX+, where X = H, CH3, NH2, OH, F, CF3, CN, NO2, N(CH3)2,… Expand
  • 51
  • 2
  • PDF
Concentrations of several phthalates contaminants in Egyptian bottled water: Effects of storage conditions and estimate of human exposure.
  • G. Zaki, T. Shoeib
  • Chemistry, Medicine
  • The Science of the total environment
  • 15 March 2018
The occurrence and concentrations of six common phthalates were investigated for the first time in bottled water locally produced in the Egyptian market. The compounds investigated were dimethyl… Expand
  • 20
  • 2
A study of complexes Mg(NH3)n+· and Ag(NH3)n+, where n = 1–8: competition between direct coordination and solvation through hydrogen bonding
Abstract Density functional calculations at B3LYP/6-31+G(d) and B3LYP/DZVP are reported for Mg(NH 3 ) n +· , where n = 1–6 and for some solvated ions Mg(NH 3 ) n +· … NH 3 ( n = 1–3, 6). After… Expand
  • 27
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Gas-phase fragmentation of the Ag+—phenylalanine complex: Cation—π interactions and radical cation formation
Collision-induced dissociation experiments on the Ag+—phenylalanine complex using several collision energies were shown to yield ten different fragment ions. Unambiguous assignment of these fragment… Expand
  • 39
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Collision-Induced Dissociation of the Ag+−Proline Complex: Fragmentation Pathways and Reaction MechanismsA Synergy between Experiment and Theory
Gas-phase collision-induced dissociation of the Ag+-proline complex shows six major product ions. Tandem mass spectrometry reveals that at least three of the fragment ions are formed directly from… Expand
  • 40
  • 1
Speciation of oxaliplatin adducts with DNA nucleotides.
This paper describes a set of fast and selective high performance liquid chromatography (HPLC) methods coupled to electro-spray ionisation linear ion trap mass spectrometry (ESI-MS), sector-field… Expand
  • 22
  • 1