Výsledky vyhledávání - "Amir Hossein Hakimioun"

Identification of Boronic Acid Derivatives as an Active Form of N-Alkylaminoferrocene-Based Anticancer Prodrugs and Their Radiolabeling with 18F

Autor: Steffen Daum, Leopold Sellner, Hülya Gizem Özkan, Andriy Mokhir, Simone Maschauer, Olaf Prante, Frank R. Beierlein, Viktor Reshetnikov, Frank Hampel, Johannes Toms, Michael Schmitt, Amir Hossein Hakimioun

Publikováno v: Bioconjugate Chemistry. 30:1077-1086

N-Alkylaminoferrocene (NAAF)-based prodrugs are activated in the presence of elevated amounts of reactive oxygen species (ROS), which corresponds to cancer specific conditions, with formation of NAAF and p-quinone methide. Both products act synergist

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a6917f714ddc413e9fd25e23eaaef239
https://doi.org/10.1021/acs.bioconjchem.9b00019

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Theoretical Investigation of the Size Effect on the Oxygen Adsorption Energy of Coinage Metal Nanoparticles

Autor: Philipp N. Plessow, Daniel Curulla-Ferré, Lennart Joos, Bart Vandegehuchte, Amir Hossein Hakimioun, Elisabeth M. Dietze, Felix Studt

Publikováno v: Catalysis letters, 151, 3165–3169

This study evaluates the finite size effect on the oxygen adsorption energy of coinage metal (Cu, Ag and Au) cuboctahedral nanoparticles in the size range of 13 to 1415 atoms (0.7–3.5 nm in diameter). Trends in particle size effects are well descri

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58630f0f9bf69b42db98068a34ebd637

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SOLVENT EFFECT ON THE STRUCTURAL, ELECTRONIC, SPECTRA PROPERTIES AND FIRST HYPERPOLARIZABILITY OF W(CO)5L, L=(4-PYRIDYLMETHYLENE)MALONONITRILE

Autor: Reza Ghiasi, Amir Hossein Hakimioun, Mahdiyeh Nemati

Publikováno v: Journal of the Chilean Chemical Society v.61 n.2 2016
SciELO Chile
CONICYT Chile
instacron:CONICYT
Journal of the Chilean Chemical Society, Volume: 61, Issue: 2, Pages: 2921-2928, Published: JUN 2016

In this work, the structural, electronic properties, 14N NQR parameters and first hyperpolarizability of W(CO)5L, L=(4-pyridylmethylene)malononitrile complex were computed in gas phase by hybrid functional PBE method with LanL2DZ, and 6-311G(d,p) bas

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3b5f4f12cac4a721cee931b837207fb
https://doi.org/10.4067/s0717-97072016000200015

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Computational study of gas-phase molecular structure and substitution effects in para-substituted nickelabenzenes (p-XC5H4)Ni(CO)2F

Autor: Peymaneh Makkipour, Hoda Pasdar, Hossein Ghiasi, Amir Hossein Hakimioun

Publikováno v: Russian Journal of Physical Chemistry A. 89:1614-1618

The structure and properties of nickelabenzene complex were examined by the Modified Perdew-Wang Exchange and Correlation method (mpw1pw91). The para-substitutions effect on the structure, frontier orbital energies, aromaticity and electronic spectra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6aa6d06a923679783740965b81cc735e
https://doi.org/10.1134/s0036024415090034

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Synchronized Offset Stacking: A Concept for Growing Large-Domain and Highly Crystalline 2D Covalent Organic Frameworks

Autor: Fabian C. Hanusch, Simon Herbert, Derya Bessinger, Florian Auras, Timothy Clark, Laura Ascherl, Christina Hettstedt, Thomas Bein, Johannes T. Margraf, Paul Knochel, Stephan Reuter, Konstantin Karaghiosoff, Markus Döblinger, Amir Hossein Hakimioun

Publikováno v: Journal of the American Chemical Society

Covalent organic frameworks (COFs), formed by reversible condensation of rigid organic building blocks, are crystalline and porous materials of great potential for catalysis and organic electronics. Particularly with a view of organic electronics, ac

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d24de5d5856a4cd91cea559d8c6d6665
https://pubmed.ncbi.nlm.nih.gov/27992179

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A density functional approach toward structural features and properties of C20…N2X2 (X = H, F, Cl, Br, Me) molecules

Autor: Morteza Zaman Fashami, Amir Hossein Hakimioun, Reza Ghiasi

Publikováno v: Journal of Theoretical and Computational Chemistry. 13:1450023

In this work, the interaction of C 20 with N 2 X 2 ( X = H , F , Cl , Br , Me ) molecules has been explored using the B3LYP, M062x methods and 6-311G(d,p) and 6-311+G(d,p) basis sets. The interaction energies (IEs) obtained with standard method were

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::997a7bbfb0524f161a0ef31d358889c7
https://doi.org/10.1142/s0219633614500230

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Akademický článek

A density functional approach toward structural features and properties of C20...N2X2 ( = , , , , ) molecules.

Autor: Ghiasi, Reza, Fashami, Morteza Zaman, Hakimioun, Amir Hossein

Publikováno v: Journal of Theoretical & Computational Chemistry; Jun2014, Vol. 13 Issue 4, p1450023-1-1450023-13, 13p

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