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Article ; Online: DFT/B3LYP and BP86 examination of mononuclear half-sandwich nd

Simon Claude, Ndika Ngomb / Didier, Tamafo Fouegue Aymard / Baruch, Ateba Amana / Joseph, Zobo Mfomo / Luc, Mbaze Meva'a / Désiré, Bikele Mama

Journal of molecular graphics & modelling

2021 Volume 104, Page(s) 107830

Abstract: In this paper, we have explored the bonding properties of a series of mononuclear half-sandwich ... ...

Abstract	In this paper, we have explored the bonding properties of a series of mononuclear half-sandwich nd
MeSH term(s)	Hydrogen Bonding ; Ligands ; Metals ; Pharmaceutical Preparations ; Transition Elements
Chemical Substances	Ligands ; Metals ; Pharmaceutical Preparations ; Transition Elements
Language	English
Publishing date	2021-01-01
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1396450-1
ISSN	1873-4243 ; 1093-3263
ISSN (online)	1873-4243
ISSN	1093-3263
DOI	10.1016/j.jmgm.2020.107830
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Article: Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries.

Aymard, Luc / Oumellal, Yassine / Bonnet, Jean-Pierre

Beilstein journal of nanotechnology

2015 Volume 6, Page(s) 1821–1839

Abstract: The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric ... ...

Abstract	The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g(-1) at a suitable potential (0.5 V vs Li(+)/Li(0)) and the lowest electrode polarization (<0.2 V) for conversion materials. Conversion process reaction mechanisms with lithium are subsequently detailed for MgH2, TiH2, complex hydrides Mg2MH x and other Mg-based hydrides. The reversible conversion reaction mechanism of MgH2, which is lithium-controlled, can be extended to others hydrides as: MH x + xLi(+) + xe(-) in equilibrium with M + xLiH. Other reaction paths-involving solid solutions, metastable distorted phases, and phases with low hydrogen content-were recently reported for TiH2 and Mg2FeH6, Mg2CoH5 and Mg2NiH4. The importance of fundamental aspects to overcome technological difficulties is discussed with a focus on conversion reaction limitations in the case of MgH2. The influence of MgH2 particle size, mechanical grinding, hydrogen sorption cycles, grinding with carbon, reactive milling under hydrogen, and metal and catalyst addition to the MgH2/carbon composite on kinetics improvement and reversibility is presented. Drastic technological improvement in order to the enhance conversion process efficiencies is needed for practical applications. The main goals are minimizing the impact of electrode volume variation during lithium extraction and overcoming the poor electronic conductivity of LiH. To use polymer binders to improve the cycle life of the hydride-based electrode and to synthesize nanoscale composite hydride can be helpful to address these drawbacks. The development of high-capacity hydride anodes should be inspired by the emergent nano-research prospects which share the knowledge of both hydrogen-storage and lithium-anode communities.
Language	English
Publishing date	2015-08-31
Publishing country	Germany
Document type	Journal Article ; Review
ZDB-ID	2583584-1
ISSN	2190-4286
ISSN	2190-4286
DOI	10.3762/bjnano.6.186
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Article ; Online: Metal hydrides

Luc Aymard / Yassine Oumellal / Jean-Pierre Bonnet

Beilstein Journal of Nanotechnology, Vol 6, Iss 1, Pp 1821-

an innovative and challenging conversion reaction anode for lithium-ion batteries

2015 Volume 1839

Abstract	The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g−1 at a suitable potential (0.5 V vs Li+/Li0) and the lowest electrode polarization (<0.2 V) for conversion materials. Conversion process reaction mechanisms with lithium are subsequently detailed for MgH2, TiH2, complex hydrides Mg2MHx and other Mg-based hydrides. The reversible conversion reaction mechanism of MgH2, which is lithium-controlled, can be extended to others hydrides as: MHx + xLi+ + xe− in equilibrium with M + xLiH. Other reaction paths—involving solid solutions, metastable distorted phases, and phases with low hydrogen content—were recently reported for TiH2 and Mg2FeH6, Mg2CoH5 and Mg2NiH4. The importance of fundamental aspects to overcome technological difficulties is discussed with a focus on conversion reaction limitations in the case of MgH2. The influence of MgH2 particle size, mechanical grinding, hydrogen sorption cycles, grinding with carbon, reactive milling under hydrogen, and metal and catalyst addition to the MgH2/carbon composite on kinetics improvement and reversibility is presented. Drastic technological improvement in order to the enhance conversion process efficiencies is needed for practical applications. The main goals are minimizing the impact of electrode volume variation during lithium extraction and overcoming the poor electronic conductivity of LiH. To use polymer binders to improve the cycle life of the hydride-based electrode and to synthesize nanoscale composite hydride can be helpful to address these drawbacks. The development of high-capacity ...
Keywords	conversion reaction ; lithium-ion batteries ; metal hydrides ; Technology ; T ; Chemical technology ; TP1-1185 ; Science ; Q ; Physics ; QC1-999
Subject code	540 ; 660
Language	English
Publishing date	2015-08-01T00:00:00Z
Publisher	Beilstein-Institut
Document type	Article ; Online
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Article: MgH2–TiH2 mixture as an anode for lithium-ion batteries: synergic enhancement of the conversion electrode electrochemical performance

Huang, Liwu / Aymard, Luc / Bonnet, Jean-Pierre

Journal of materials chemistry A. 2015 July 14, v. 3, no. 29

2015

Abstract: A 0.7MgH2 + 0.3TiH2 mixture was prepared by reactive grinding of Mg and Ti powders under hydrogen and tested as a conversion electrode for lithium-ion batteries. This composite presents superior electrochemical properties compared to MgH2 or TiH2 based ... ...

Abstract	A 0.7MgH2 + 0.3TiH2 mixture was prepared by reactive grinding of Mg and Ti powders under hydrogen and tested as a conversion electrode for lithium-ion batteries. This composite presents superior electrochemical properties compared to MgH2 or TiH2 based electrodes, either in terms of reversible capacities or polarization versus applied current rate. A substantial reversible capacity of 1540 mA h g−1 is measured at a suitable potential of 0.52 V vs. Li+/Li0 (current rate 0.1Li h−1). For the same current rate, electrode polarization is limited to 0.2 V and stabilizes at 0.46 V for 1.0Li h−1 while a continuous polarization increase is observed for MgH2 based electrodes. In situ XRD analyses of this composite demonstrate that Mg and Ti hydrides are both electrochemically active and contribute together to the capacity. TiH2 improves MgH2 conversion process kinetics while MgH2 enables a reversible conversion reaction for TiH2. The three consecutive reactions are: (1) MgH2 + 2Li+ + 2e− ⇌ Mg + 2LiH; (2) δ-TiH2 + xLi+ + xe− ⇌ δ-TiH2−x + xLiH (x ≤ 0.5) and (3) δ-TiH2−x + (2 − x)Li+ + (2 − x)e− ⇌ α-Ti + (2 − x)LiH (x = 0.5). This is, to our knowledge, the first example of a reversible lithium conversion process with TiH2 powder.
Keywords	anodes ; electrochemistry ; grinding ; hydrides ; hydrogen ; lithium ; lithium batteries ; magnesium ; powders ; X-ray diffraction
Language	English
Dates of publication	2015-0714
Size	p. 15091-15096.
Publishing place	The Royal Society of Chemistry
Document type	Article
ZDB-ID	2702232-8
ISSN	2050-7496 ; 2050-7488
ISSN (online)	2050-7496
ISSN	2050-7488
DOI	10.1039/c5ta02545a
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Article ; Online: B3LYP, M06 and B3PW91 DFT assignment of nd

Moto Ongagna, Jean / Tamafo Fouegue, Aymard Didier / Ateba Amana, Baruch / Mouzong D'ambassa, Gaël / Zobo Mfomo, Joseph / Mbaze Meva'A, Luc / Bikele Mama, Désiré

Journal of molecular modeling

2020 Volume 26, Issue 9, Page(s) 246

Abstract: This paper is focused on the examination of the bonding properties of a series of [M(NHC) ...

Abstract	This paper is focused on the examination of the bonding properties of a series of [M(NHC)
Language	English
Publishing date	2020-08-21
Publishing country	Germany
Document type	Journal Article
ZDB-ID	1284729-X
ISSN	0948-5023 ; 1610-2940
ISSN (online)	0948-5023
ISSN	1610-2940
DOI	10.1007/s00894-020-04500-7
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Article ; Online: Évaluation d'une stratégie standardisée de prise en charge de la glomérulonéphrite extramembraneuse idiopathique au sein d'un réseau de santé en Lorraine (Néphrolor).

Aubertin, Perrine / Ayav, Carole / Stolz, Arnaud / Kessler, Michèle / Champigneulle, Jacqueline / Aymard, Bernadette / Frimat, Luc

Nephrologie & therapeutique

2014 Volume 11, Issue 1, Page(s) 16–26

Abstract: Introduction: The evolution of idiopathic membranous membranous (MNi) is variable, treatment is discussed. Our work's main objective was to evaluate the results of a standardized management strategy proposed in 2006 in Lorraine (Nephrolor health network) ...

Title translation	Management of idiopathic membranous nephropathy: evaluation of a standardized strategy in a Lorraine health network.
Abstract	Introduction: The evolution of idiopathic membranous membranous (MNi) is variable, treatment is discussed. Our work's main objective was to evaluate the results of a standardized management strategy proposed in 2006 in Lorraine (Nephrolor health network). The secondary objective was to evaluate the professional practices. Patients et methods: This study compared the evolution of incident MNi between 2002 and 2005 (Before) and between 2007 and 2010 (After), the respective dates point to 31/12/2011 and 31/12/2006. In nephrotics patients without renal failure, the risk assessment of end stage renal disease based on urinary β2-microglobulin (uβ2 m, threshold to 0,5 μg/min). Patients at high risk should receive immunosuppressive therapy (IS). Results: Seventy-four biopsy-proven MNi were diagnosed with 50 nephrotic (22 Before and 28 After) of which 20 had normal renal function. In these nephrotic, there was no significant difference in the probability and the average time of remission between the two groups (P=0.26). Dosage of uβ2m was performed in 35% of cases. Fifty percent were treated with IS respecting strategy. Conclusion: Despite differences between the strategy and practices, which may explain these non-significant results, we observed changes in thinking and therapeutic attitude of the clinician. The implementation of this strategy tends to standardize and improve practices about MNi in Lorraine, which seems to improve results in remission. We encourage to generalize the application of this strategy and to continue this cohort follow.
MeSH term(s)	Aged ; Female ; France/epidemiology ; Glomerulonephritis, Membranous/diagnosis ; Glomerulonephritis, Membranous/drug therapy ; Glomerulonephritis, Membranous/epidemiology ; Glucocorticoids/therapeutic use ; Humans ; Male ; Middle Aged
Chemical Substances	Glucocorticoids
Language	French
Publishing date	2014-12-23
Publishing country	France
Document type	Journal Article ; Multicenter Study
ZDB-ID	2229575-6
ISSN	1872-9177 ; 1769-7255
ISSN (online)	1872-9177
ISSN	1769-7255
DOI	10.1016/j.nephro.2014.09.004
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Article ; Online: Suicidal poisonings with methadone in France: results of a two year national survey by the Toxicovigilance network.

Glaizal, Mathieu / Gazin, Vincent / Aymard, Isabelle / Messina-Gourlot, Catherine / Richard, Nathalie / Mallaret, Michel / Saviuc, Philippe / de Haro, Luc

Clinical toxicology (Philadelphia, Pa.)

2012 Volume 50, Issue 9, Page(s) 841–846

Abstract: Context: Methadone is used in France since March 1995, only for opioid maintenance treatment, in a syrup form. For the launching of a capsule form in April 2008, French health authorities requested a prospective survey of all cases involving exposure to ...

Abstract	Context: Methadone is used in France since March 1995, only for opioid maintenance treatment, in a syrup form. For the launching of a capsule form in April 2008, French health authorities requested a prospective survey of all cases involving exposure to methadone in either of the two available pharmaceutical forms. Objective: The aim was to document, in different circumstances and compare the safety of the new capsule form to the syrup. This report presents the findings of one arm of the study, devoted to methadone-related suicide attempts. Materials and method: From April 15, 2008 to April 15, 2010, all self-injurious methadone poisonings notified to or managed by the French Toxicovigilance Centers network were included. Analysis mainly focused on patients' age and gender, estimated quantity ingested, eventual concomitantly taken substances, distribution of symptoms, and site of treatment. Results: 135 methadone-related suicide attempts were recorded. Analysis showed identical epidemiologic and clinical patient characteristics for the two pharmaceutical forms. Ten deaths occurred. The only discrepancy was a higher incidence of suicide attempts in the capsule group. However, as the number of capsule-treated patients increased during the second year, this difference remained significant but tended to decrease. Discussion: Combining these results with Pharmacovigilance and Addictovigilance arms, health authorities estimated that the benefit/risk balance of this new pharmaceutical form remains positive. They revised their position on requirements for prescribing and dispensing of the capsule form, and made them slightly easier. Following this, this "suicide" arm of Toxicovigilance survey was suspended, whereas the second one, concerning accidental pediatric methadone-related poisonings, has been extended until April 2014. Conclusion: In France, suicide attempts were more likely to occur with the capsule formulation. The clinical severity of intoxication was similar between the capsule and liquid forms.
MeSH term(s)	Adolescent ; Adult ; Female ; France/epidemiology ; Humans ; Male ; Methadone/poisoning ; Middle Aged ; Poison Control Centers ; Risk Management ; Suicide/statistics & numerical data
Chemical Substances	Methadone (UC6VBE7V1Z)
Language	English
Publishing date	2012-11
Publishing country	England
Document type	Journal Article
ZDB-ID	204476-6
ISSN	1556-9519 ; 0009-9309 ; 0731-3810 ; 1556-3650
ISSN (online)	1556-9519
ISSN	0009-9309 ; 0731-3810 ; 1556-3650
DOI	10.3109/15563650.2012.731510
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Article ; Online: Bottom-up preparation of MgH₂ nanoparticles with enhanced cycle life stability during electrochemical conversion in Li-ion batteries.

Oumellal, Yassine / Zlotea, Claudia / Bastide, Stéphane / Cachet-Vivier, Christine / Léonel, Eric / Sengmany, Stéphane / Leroy, Eric / Aymard, Luc / Bonnet, Jean-Pierre / Latroche, Michel

Nanoscale

2014 Volume 6, Issue 23, Page(s) 14459–14466

Abstract: A promising anode material for Li-ion batteries based on MgH₂ with around 5 nm average particles size was synthesized by a bottom-up method. A series of several composites containing MgH₂ nanoparticles well dispersed into a porous carbon host has been ... ...

Abstract	A promising anode material for Li-ion batteries based on MgH₂ with around 5 nm average particles size was synthesized by a bottom-up method. A series of several composites containing MgH₂ nanoparticles well dispersed into a porous carbon host has been prepared with different metal content up to 70 wt%. A narrow particle size distribution (1-10 nm) of the MgH₂ nanospecies with around 5.5 nm average size can be controlled up to 50 wt% Mg. After a ball milling treatment under Ar, the composite containing 50 wt% Mg shows an impressive cycle life stability with a good electrochemical capacity of around 500 mA h g(-1). Moreover, the nanoparticles' size distribution is stable during cycling.
Language	English
Publishing date	2014-11-06
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2515664-0
ISSN	2040-3372 ; 2040-3364
ISSN (online)	2040-3372
ISSN	2040-3364
DOI	10.1039/c4nr03444a
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Article: XAS investigations on nanocrystalline Mg2FeH6 used as a negative electrode of Li-ion batteries

Zhang, Junxian / Aymard, Luc / Belin, Stéphanie / Bonnet, Jean-Pierre / Cuevas, Fermín / Latroche, Michel / Michalowicz, Alain / Paul-Boncour, Valérie / Provost, Karine / Zaïdi, Warda

Journal of materials chemistry A. 2013 Mar. 19, v. 1, no. 15

2013

Abstract: In the frame of research on new metallic hydrides as conversion reaction materials for negative electrodes of Li-ion batteries, the MgFe2H6 complex hydride has been investigated in and ex situ using XRD, XAS and magnetic measurements at different states: ...

Abstract	In the frame of research on new metallic hydrides as conversion reaction materials for negative electrodes of Li-ion batteries, the MgFe2H6 complex hydride has been investigated in and ex situ using XRD, XAS and magnetic measurements at different states: initially ball milled complex hydride (CH), electrochemically desorbed (ED) and thermally desorbed (TD). Fe–H bonding is clearly evidenced by EXAFS in the CH sample. It is also observed that the electrochemical reaction leads to a nanocrystalline state that needs local probe analyses to be fully investigated and interpreted. From the XAS and magnetic data, the different routes (ED and TD) for dehydrogenation of the complex hydride are compared. For both electrochemically and thermally driven reactions, the hydrogen depletion from Mg2FeH6 hydride leads to decomposition into its constituting elements Mg and Fe. However, different Fe structures are observed: bulk α-Fe and amorphous Fe nanoparticles for TD and ED samples, respectively.
Keywords	chemical bonding ; dehydrogenation ; electrochemistry ; electrodes ; hydrides ; hydrogen ; iron ; lithium batteries ; magnesium ; magnetism ; nanocrystals ; nanoparticles ; X-ray absorption spectroscopy ; X-ray diffraction
Language	English
Dates of publication	2013-0319
Size	p. 4706-4717.
Publishing place	The Royal Society of Chemistry
Document type	Article
ZDB-ID	2702232-8
ISSN	2050-7496 ; 2050-7488
ISSN (online)	2050-7496
ISSN	2050-7488
DOI	10.1039/c3ta01482g
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Article ; Online: Intoxications accidentelles par cannabis chez l'enfant: expérience du centre antipoison de Marseille.

Spadari, Michel / Glaizal, Mathieu / Tichadou, Lucia / Blanc, Ingrid / Drouet, Geneviève / Aymard, Isabelle / De Haro, Luc / Hayek-Lanthois, Maryvonne / Arditti, Jocelyne

Presse medicale (Paris, France : 1983)

2009 Volume 38, Issue 11, Page(s) 1563–1567

Abstract: Objective: To assess the frequency and severity of accidental cannabis poisoning in children.: Methods: A retrospective study of cases of accidental cannabis poisoning in people aged under 18 years old, reported to the Marseille poison center from ... ...

Title translation	Accidental cannabis poisoning in children: experience of the Marseille poison center.
Abstract	Objective: To assess the frequency and severity of accidental cannabis poisoning in children. Methods: A retrospective study of cases of accidental cannabis poisoning in people aged under 18 years old, reported to the Marseille poison center from 1993 through 2007. We excluded cases where cannabis was definitively ruled out, and neonatal withdrawal syndromes in newborns from cannabis users. Results: We collected 93 cases, including 56 boys and 37 girls, 86% of whom were younger than 3 years. The principal form was cannabis resin (hashish), reported in 80% of the cases and belonging to one of the parents or a household member. In almost all cases, the poisoning took place at the child's home. The frequency has risen in recent years, with 2/3 of the cases occurred in the second half of the study period. Five serious cases were reported, two with convulsions. Conclusion: Considering the observed increase in cases each year, mostly benign but potentially serious, prevention and information efforts have to be improved for drug users with young children and for healthcare professionals led to manage this kind of accident.
MeSH term(s)	Cannabis/poisoning ; Child ; Child, Preschool ; Female ; France/epidemiology ; Humans ; Infant ; Male ; Poison Control Centers ; Poisoning/epidemiology ; Retrospective Studies ; Severity of Illness Index
Language	French
Publishing date	2009-11
Publishing country	France
Document type	Case Reports ; English Abstract ; Journal Article
ZDB-ID	120943-7
ISSN	2213-0276 ; 0032-7867 ; 0755-4982 ; 0301-1518
ISSN (online)	2213-0276
ISSN	0032-7867 ; 0755-4982 ; 0301-1518
DOI	10.1016/j.lpm.2009.03.020
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