Zobrazeno 1 - 10 of 16 pro vyhledávání: '"Muhannad Altarsha"'
1
Taste for Chiral Guests: Investigating the Stereoselective Binding of Peptides to β-Cyclodextrins
Autor: Violeta Yeguas, Ramón López, Francesca Ingrosso, Manuel F. Ruiz-López, Muhannad Altarsha
Publikováno v: Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2013, 117 (11), pp.3091-3097. ⟨10.1021/jp311671w⟩
Obtaining compounds of diastereomeric purity is extremely important in the field of biological and pharmaceutical industry, where amino acids and peptides are widely employed. In this work, we theoretically investigate the possibility of chiral separ
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc1e14f69c93f38f24370b12140c8cfd
https://doi.org/10.1021/jp311671w
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3
Driving Forces Controlling Host-Guest Recognition in Supercritical Carbon Dioxide Solvent
Autor: Gwendal Kevern, Alain Marsura, Florence Dumarcay, Danielle Barth, Francesca Ingrosso, Muhannad Altarsha, Manuel F. Ruiz-López
Publikováno v: Chemistry-A European Journal
Chemistry-A European Journal, Wiley-VCH Verlag, 2016, 22 (9), pp.2972-2979. ⟨10.1002/chem.201503780⟩
International audience; The formation of supramolecular host-guest complexes is a very useful and widely employed tool in chemistry. However, supramolecular chemistry in non-conventional solvents such as supercritical carbon dioxide (scCO2 ), one of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7144e94d771e81ee61a7488a61060e9b
https://hal.univ-lorraine.fr/hal-01496660
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4
Peptide Binding to β-Cyclodextrins: Structure, Dynamics, Energetics, and Electronic Effects
Autor: Ramón López, Muhannad Altarsha, Violeta Yeguas, Manuel F. Ruiz-López, Gérald Monard
Publikováno v: The Journal of Physical Chemistry A. 115:11810-11817
Peptide-cyclodextrin and protein-cyclodextrin host-guest complexes are becoming more and more important for industrial applications, in particular in the fields of pharmaceutical and food chemistry. They have already deserved many experimental invest
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f8a55d680ead4e208c8f1388a77d06f
https://doi.org/10.1021/jp2053037
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5
X-ray, ESR, and quantum mechanics studies unravel a spin well in the cofactor-less urate oxidase
Autor: Bertrand Castro, Mohamed El Hajji, Nathalie Colloc'h, Thierry Prangé, Fabienne Peyrot, M. Chiadmi, L. Gabison, Muhannad Altarsha, Claude Chopard, Gérald Monard
Publikováno v: Proteins: Structure, Function, and Bioinformatics. 79:1964-1976
Urate oxidase (EC 1.7.3.3 or UOX) catalyzes the conversion of uric acid using gaseous molecular oxygen to 5-hydroxyisourate and hydrogen peroxide in absence of any cofactor or transition metal. The catalytic mechanism was investigated using X-ray dif
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::dc7a8241e65071d08b087c325780dda6
https://doi.org/10.1002/prot.23022
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6
Intrinsic reactivity of uric acid with dioxygen: Towards the elucidation of the catalytic mechanism of urate oxidase
Autor: Bertrand Castro, Gérald Monard, Muhannad Altarsha
Publikováno v: Bioorganic Chemistry. 37:111-125
Urate oxidase catalyzes the transformation of uric acid in 5-hydroxyisourate, an unstable compound which is latter decomposed into allantoïn. Crystallographic data have shown that urate oxidase binds a dianion urate species deprotonated in N3 and N7
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3972384b89938fc13c2df5806425a1b6
https://doi.org/10.1016/j.bioorg.2009.05.004
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7
Quantum computations of the UV–visible spectra of uric acid and its anions
Autor: Bertrand Castro, Muhannad Altarsha, Gérald Monard
Publikováno v: Journal of Molecular Structure: THEOCHEM. 761:203-207
UV–visible spectra of uric acid as a function of pH have been studied and compared with experimental data. Different quantum methodologies have been employed: CIS–ZINDO, CIS–HF and TD-DFT. Solvent effects were modeled using the COSMO model. To
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ac89ecccc95bfa4f2c96a0be53749c7b
https://doi.org/10.1016/j.theochem.2006.01.008
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8
A theoretical investigation of the CO2-philicity of amides and carbamides
Autor: Muhannad Altarsha, Luis Miguel Azofra, Francesca Ingrosso, Manuel F. Ruiz-López
Publikováno v: Theoretical Chemistry Accounts: Theory, Computation, and Modeling
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2013, 132 (4), ⟨10.1007/s00214-012-1326-4⟩
The knowledge of the interactions taking place at a molecular level can help the development of new technological procedures in Chemistry with low environmental impact. In organic, biochemical and pharmaceutical synthesis and in analytical chemistry,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a62240bb93d02a7974bfc1dfbdcb249
https://hal.archives-ouvertes.fr/hal-02105644
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9
A new glimpse into the CO(2)-philicity of carbonyl compounds
Autor: Francesca Ingrosso, Muhannad Altarsha, Manuel F. Ruiz-López
Publikováno v: ChemPhysChem
ChemPhysChem, Wiley-VCH Verlag, 2012, 13 (14), pp.3397-3403. ⟨10.1002/cphc.201200135⟩
We report a theoretical study on non-conventional structures of 1:1 complexes between carbon dioxide and carbonyl compounds. These structures have never been reported before but are relevant for understanding the solubility of carbonyl compounds in s
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15ade47c46639dfa889d228ad88a26f5
https://hal.archives-ouvertes.fr/hal-01964895
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10
Cavity Closure Dynamics of Peracetylated β-Cyclodextrins in Supercritical Carbon Dioxide
Autor: Francesca Ingrosso, Muhannad Altarsha, Manuel F. Ruiz-López
Publikováno v: Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2012, 116 (13), pp.3982-3990. ⟨10.1021/jp3001064⟩
Structural properties of peracetylated β-cyclodextrin in supercritical carbon dioxide were investigated by means of molecular dynamics simulations. The study indicated a strong reduction of the cavity accessibility to guest molecules, compared to na
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72ccdd39905af66507d026e3f86e67ab
https://hal.archives-ouvertes.fr/hal-01964912
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