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302 results on '"Bouchoux G"'

6. Protonation thermochemistry of alpha,omega-alkane diols in the gas phase: a theoretical study

Author

Bouchoux, G. and Berruyer-Penaud, F.

Subjects
Glycols -- Chemical properties, Alkanes -- Chemical properties, Chemicals, plastics and rubber industries
Abstract

Ab initio molecular orbital calculations at the G2(MP2) level were performed to calculate the proton affinities of 1,2-ethane diol, 1,3-propane diol, and 1,4-butane diol. The results show considerable differences with figures obtained from equilibrium constant determined at variable temperature.

Published
2003

8. Structure and energetics of protonated omega-methoxy alcohols

Author

Szulejko, J.E., McMahon, T.B., Troude, V., Bouchoux, G., and Audier, H.E.

Subjects
Hydrogen bonding -- Research, Chemical bonds -- Research, Ethers -- Research, Chemicals, plastics and rubber industries
Abstract

A study relating to research on hydrogen bonding and its influence on organic compounds was conducted using ethers to further investigate protonated omega-methoxy alcohols which are asymmetric bifunctional ions. Results of the study indicate that the protonation reaction appears to involve different stable conformers of neutral molecules and only one protonated cyclized conformer. Other results of the study are discussed.

Published
1998

9. Formation and characterization of acetonitrile N-methylide (CH3CNCH2)*+ and N-methylketenimine (CH3NCCH2)*+ radical cations in the gas phase

Author

Gerbaux, P., Flammang, R., Nguyen, M.T., Salpin, J.-Y., and Bouchoux, G.

Subjects
Acetonitrile -- Research, Cations -- Research, Radicals (Chemistry) -- Research, Ionization -- Research, Chemicals, plastics and rubber industries
Abstract

Research was conducted to examine the formation and characterization of acetonitrile N-methylide (CH3CNCH2)*+ and N-methylketenimine (CH3NCCH2)*+ radical cations in the gas phase. The preparation was conducted using ion-molecule reactions between ionized cyclobutanone or ionized ketene and acetonitrile or methyl isocyanide. Results indicate that ions (CH3CNCH2)*+ and (CH3NCCH2)*+ are of comparable stability and a heat of formation of 970 kJ/mol is proposed for both species.

Published
1998

14. NSRG-05. SAFETY OF ULTRASOUND-INDUCED BLOOD-BRAIN BARRIER OPENING IN PEDIATRIC PATIENTS WITH REFRACTORY SUS-TENTORIAL MALIGNANT BRAIN TUMORS BEFORE CHEMOTHERAPY ADMINISTRATION – THE SONOKID CLINICAL TRIAL

Author

Beccaria, K, primary, Canney, M, additional, Bouchoux, G, additional, Zohar, S, additional, Boddaert, N, additional, Bourdeaut, F, additional, Doz, F, additional, Dufour, C, additional, Grill, J, additional, Carpentier, A, additional, and Puget, S, additional

Published
2018
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17. Simultaneous Determination of Human Plasma Levels of Citalopram, Paroxetine, Sertraline, and Their Metabolites by Gas Chromatography—Mass Spectrometry

Author

Eap, C.B., Bouchoux, G., Amey, M., Cochard, N., Savary, L., Baumann, P., Eap, C.B., Bouchoux, G., Amey, M., Cochard, N., Savary, L., and Baumann, P.

Abstract

A gas chromatography—mass spectrometry method is presented which allows the simultaneous determination of the plasma concentrations of the selective serotonin reuptake inhibitors citalopram, paroxetine, sertraline, and their pharmacologically active N-demethylated metabolites (desmethylcitalopram, didesmethylcitalopram, and desmethylsertraline) after derivatization with the reagent N-methyl-bis(trifluoroacetamide). No interferences from endogenous compounds are observed following the extraction of plasma samples from six different human subjects. The standard curves are linear over a working range of 10-500 ng/mL for citalopram, 10-300 ng/mL for desmethylcitalopram, 5-60 ng/mL for didesmethylcitalopram, 20-400 ng/mL for sertraline and desmethylsertraline, and 10-200 ng/mL for paroxetine. Recoveries measured at three concentrations range from 81 to 118% for the tertiary amines (citalopram and the internal standard methylmaprotiline), 73 to 95% for the secondary amines (desmethylcitalopram, paroxetine and sertraline), and 39 to 66% for the primary amines (didesmethylcitalopram and desmethylsertraline). Intra- and interday coefficients of variation determined at three concentrations range from 3 to 11 % for citalopram and its metabolites, 4 to 15% for paroxetine, and 5 to 13% for sertraline and desmethylsertraline. The limits of quantitation of the method are 2 ng/mL for citalopram and paroxetine, 1 ng/mL for sertraline, and 0.5 ng/mL for desmethylcitalopram, didesmethylcitalopram, and desmethylsertraline. No interferences are noted from 20 other psychotropic drugs. This sensitive and specific method can be used for single-dose pharmacokinetics. It is also useful for therapeutic drug monitoring of these three drugs and could possibly be adapted for the quantitation of the two other selective serotonin reuptake inhibitors on the market, namely fluoxetine and fluvoxamine

Published
2017

18. Gas phase protonation of alpha beta gamma dicarbonyls: thermochemistry and structures

Author

Akrour, A., Chikh, Zz., Djazi, F., Elbannay, M., Berruyer, F., Bouchoux, G., Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire des mécanismes réactionnels (DCMR), and École polytechnique (X)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Published
2007

19. Fe(III)-hydroperoxo and peroxo complexes with aminopyridyl ligands and the Resonance Raman spectroscopic identification of the Fe-O and O-O stretching modes

Author

A. Jalila Simaan, Dopner, S., Banse, F., Bourcier, S., Bouchoux, G., Boussac, A., Hildebrandt, P., Girerd, Jj, Roura, Denis, Laboratoire de Chimie Inorganique, affiliation inconnue, Max-Planck-Institut für Strahlenchemie, Max-Planck-Gesellschaft, Laboratoire des mécanismes réactionnels (DCMR), École polytechnique (X)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Section de Bioénergétique

Abstract

International audience; Nonheme Fe(III)-hydroperoxo and Fe(III)-peroxo complexes with aminopyridyl-type ligands have been prepared and characterized by UV/Vis, EPR, mass and Resonance Raman (RR) spectroscopy. The Fe(III)(OOH) species are low-spin and exhibit a deep purple color due to the ligand-to-metal charge transfer (LMCT) hand centered at ca. 550 nm. The RR spectra of the Fe(III)(OOH) complexes display two bands at ca. 620 and 800 cm-1 that are assigned to the respective Fe-O and O-O stretching modes on the basis of the characteristic H/D and 16O/18O frequency shifts. Upon deprotonation, Fe(III)(O2) species are obtained which possess a high-spin configuration of nearly axial symmetry and a LMCT transition in the near infrared (ca. 750 nm). The frequencies of the Fe-O and O-O stretching modes at ca. 465 and 820 cm-1, as well as their respective 16O/18O shifts of -16 and -45 cm-1, indicate an ?2 coordination geometry for the Fe(III)(O2) complex.

Published
2000

21. Gas-phase basicity and heat of formation of sulfine CH2=S=O

Author

Bouchoux, G. and Salpin, J.Y.

Subjects
Chemical reaction, Rate of -- Analysis, Enthalpy -- Analysis, Ion cyclotron resonance spectrometry -- Usage, Curve fitting -- Usage, Sulfur compounds -- Research, Chemistry
Abstract

An ion cyclotron resonance analysis of the forward rate constant of proton transfer reactions involving (CH2=S=OH)+ ions provides accurate values of the gas-phase basicity (GA(B)) and heat of formation of sulfine. The thermodynamically controlled protonation of thiolan-S-oxide gives the requisite (CH2=S=OH)+ ions. A careful study of the graphs of reaction efficiency versus GA(B) or proton affinity gives results that match the theoretical ab initio calculations. A standard curve fitting method determines the heat of formation from the enthalpy differences.

Published
1996

39. Gas-Phase Basicities of Acid Anhydrides

Author

Bouchoux, G., primary, Gal, J.-F., additional, Maria, P. C., additional, Szulejko, J. E., additional, McMahon, T. B., additional, Tortajada, J., additional, Luna, A., additional, Yàñez, M., additional, and Mó, O., additional

Published
1998
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