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Showing 1 to 12 of 326 entries
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Effectiveness of couple-based HIV counseling and testing for women substance users and their primary male partners: a randomized trial

Science interventions

McMahon JM, Pouget ER.
GSID: VBj7XFrAIuUJ
JM McMahon, S Tortu, ER Pouget, L Torres… - … in preventive medicine, 2013 - hindawi.com

A randomized trial was conducted to test the effectiveness of couple-based HIV counseling and testing (CB-HIV-CT) and women-only relationship-focused HIV counseling and testing …

[Surgery of thoracic esophageal cancer: various recent case histories].

Journal de medecine de Lyon

Pouyet MM.
PMID: 5382683
J Med Lyon. 1969 Jun 20;50(167):1013-24.

No abstract available.

La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?.

Inorganic chemistry

Abella L, Mulet-Gas M, Rodríguez-Fortea A, Poblet JM.
PMID: 27002381
Inorg Chem. 2016 Apr 04;55(7):3302-6. doi: 10.1021/acs.inorgchem.5b02414. Epub 2016 Mar 22.

Different structures have been proposed so far for the C92 isomer that encapsulates M3N (M = La, Ce, Pr). We show here that the electrochemical properties of the predicted most abundant (thermodynamic) isomer for La3N@C92 does not agree with...

Accurate calculation of (31)P NMR chemical shifts in polyoxometalates.

Physical chemistry chemical physics : PCCP

Pascual-Borràs M, López X, Poblet JM.
PMID: 25738630
Phys Chem Chem Phys. 2015 Apr 14;17(14):8723-31. doi: 10.1039/c4cp05016a. Epub 2015 Mar 04.

We search for the best density functional theory strategy for the determination of (31)P nuclear magnetic resonance (NMR) chemical shifts, δ((31)P), in polyoxometalates. Among the variables governing the quality of the quantum modelling, we tackle herein the influence of...

Sc2O@C(3v)(8)-C82: A Missing Isomer of Sc2O@C82.

Inorganic chemistry

Tang Q, Abella L, Hao Y, Li X, Wan Y, Rodríguez-Fortea A, Poblet JM, Feng L, Chen N.
PMID: 26840749
Inorg Chem. 2016 Feb 15;55(4):1926-33. doi: 10.1021/acs.inorgchem.5b02901. Epub 2016 Feb 03.

By introducing CO2 as the oxygen source during the arcing process, a new isomer of Sc2O@C82, Sc2O@C(3v)(8)-C82, previously investigated only by computational studies, was discovered and characterized by mass spectrometry, UV-vis-NIR absorption spectroscopy, cyclic voltammetry, (45)Sc NMR, density functional...

Transformation of doped graphite into cluster-encapsulated fullerene cages.

Nature communications

Mulet-Gas M, Abella L, Cerón MR, Castro E, Marshall AG, Rodríguez-Fortea A, Echegoyen L, Poblet JM, Dunk PW.
PMID: 29089497
Nat Commun. 2017 Oct 31;8(1):1222. doi: 10.1038/s41467-017-01295-9.

An ultimate goal in carbon nanoscience is to decipher formation mechanisms of highly ordered systems. Here, we disclose chemical processes that result in formation of high-symmetry clusterfullerenes, which attract interest for use in applications that span biomedicine to molecular...

Structural and electronic control of the metal to insulator transition and local orderings in the θ-(BEDT-TTF)2X organic conductors.

Journal of physics. Condensed matter : an Institute of Physics journal

Alemany P, Pouget JP, Canadell E.
PMID: 26510211
J Phys Condens Matter. 2015 Nov 25;27(46):465702. doi: 10.1088/0953-8984/27/46/465702. Epub 2015 Oct 28.

A first-principles density functional theory (DFT) study of [Formula: see text]-(BEDT-TTF)2X molecular conductors with X  =  I3, CsCo(SCN)4 (ambient pressure, 7.5 kbar and 10 kbar), CsZn(SCN)4, TlCo(SCN)4, RbCo(SCN)4 and RbZn(SCN)4 (220 K and 90 K) is reported. It is...

Small endohedral metallofullerenes: exploration of the structure and growth mechanism in the Ti@C.

Chemical science

Mulet-Gas M, Abella L, Dunk PW, Rodríguez-Fortea A, Kroto HW, Poblet JM.
PMID: 28936315
Chem Sci. 2015 Jan 01;6(1):675-686. doi: 10.1039/c4sc02268h. Epub 2014 Sep 12.

The formation of the smallest fullerene, C

Real-time molecular scale observation of crystal formation.

Nature chemistry

Schreiber RE, Houben L, Wolf SG, Leitus G, Lang ZL, Carbó JJ, Poblet JM, Neumann R.
PMID: 28338680
Nat Chem. 2017 Apr;9(4):369-373. doi: 10.1038/nchem.2675. Epub 2016 Nov 28.

How molecules in solution form crystal nuclei, which then grow into large crystals, is a poorly understood phenomenon. The classical mechanism of homogeneous crystal nucleation proceeds via the spontaneous random aggregation of species from liquid or solution. However, a...

Therapeutic drug monitoring and tyrosine kinase inhibitors.

Oncology letters

Herviou P, Thivat E, Richard D, Roche L, Dohou J, Pouget M, Eschalier A, Durando X, Authier N.
PMID: 27446421
Oncol Lett. 2016 Aug;12(2):1223-1232. doi: 10.3892/ol.2016.4780. Epub 2016 Jun 24.

The therapeutic activity of drugs can be optimized by establishing an individualized dosage, based on the measurement of the drug concentration in the serum, particularly if the drugs are characterized by an inter-individual variation in pharmacokinetics that results in...

Donor-anion interactions at the charge localization and charge ordering transitions of (TMTTF)2AsF6 probed by NEXAFS.

Physical chemistry chemical physics : PCCP

Medjanik K, Chernenkaya A, Nepijko SA, Öhrwall G, Foury-Leylekian P, Alemany P, Canadell E, Schönhense G, Pouget JP.
PMID: 26135020
Phys Chem Chem Phys. 2015 Jul 15;17(29):19202-14. doi: 10.1039/c5cp02902c.

High-resolution near-edge X-ray absorption fine structure (NEXAFS) measurements at the As M-edge, F K-edge and S L-edge of the Fabre salt (TMTTF)2AsF6 were performed from room temperature (RT) to 90 K, allowing to reach the charge localization regime below...

Relative stability in alpha- and beta-Wells-Dawson heteropolyanions: a DFT study of [P2M18O62]n- (M = W and Mo) and [P2W15V3O62]n-.

Inorganic chemistry

López X, Bo C, Poblet JM, Sarasa JP.
PMID: 12691571
Inorg Chem. 2003 Apr 21;42(8):2634-8. doi: 10.1021/ic0262280.

To determine the relative stability of alpha and beta rotational isomers of the Wells-Dawson structure, the energies of some fully oxidized, single- and 2-fold-reduced systems were calculated by means of DFT calculations. The thermodynamics of the alpha/beta equilibrium for...

Showing 1 to 12 of 326 entries