Search Results - "Rey, Jerome"
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On the origin of the difference between type A and type B skeletal isomerization of alkenes catalyzed by zeolites: The crucial input of ab initio molecular dynamics
Published in Chinese journal of catalysis (01-05-2019)“…[Display omitted] •The mechanism of alkene isomerizations in chabazite is investigated by DFT.•The origin of the higher rate of type A versus type B…”
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Dynamic Features of Transition States for β‐Scission Reactions of Alkenes over Acid Zeolites Revealed by AIMD Simulations
Published in Angewandte Chemie International Edition (19-10-2020)“…Zeolite‐catalyzed alkene cracking is key to optimize the size of hydrocarbons. The nature and stability of intermediates and transition states (TS) are,…”
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Ab Initio Simulation of the Acid Sites at the External Surface of Zeolite Beta
Published in ChemCatChem (22-06-2017)“…The acidity at the external surface of protonic zeolites, because of the finite size of crystallites, has been questioned strongly for decades. We used density…”
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Reference‐Quality Free Energy Barriers in Catalysis from Machine Learning Thermodynamic Perturbation Theory
Published in Angewandte Chemie International Edition (05-02-2024)“…For the first time, we report calculations of the free energies of activation of cracking and isomerization reactions of alkenes that combine several different…”
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Monothiolactide, a New Monomer for the Synthesis of Recyclable, Alternating Ester-Thioester Polymers
Published in ChemSusChem (13-08-2024)“…Aliphatic polyesters and polythioesters are very interesting alternatives for current fossil-based and degradation-resistant plastics, due to their high…”
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Ethylcyclohexane Hydroconversion in EU‐1 Zeolite: DFT‐based Microkinetic Modeling Reveals the Nature of the Kinetically Relevant Intermediates
Published in ChemCatChem (06-08-2021)“…The transformation of cycloalkanes is a key‐reaction in refining and petrochemistry. Herein, we unravel the mechanism and the kinetics of the transformation of…”
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Benefits and pitfalls of pegylated interferon-α2a therapy in patients with myeloproliferative neoplasm-associated myelofibrosis: a French Intergroup of Myeloproliferative neoplasms (FIM) study
Published in Haematologica (Roma) (01-03-2018)“…We have previously described the safety and efficacy of pegylated interferon-α2a therapy in a cohort of 62 patients with myeloproliferative neoplasm-associated…”
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Natural Killer Defective Maturation Is Associated with Adverse Clinical Outcome in Patients with Acute Myeloid Leukemia
Published in Frontiers in immunology (29-05-2017)“…Accumulating evidence highlights natural killer (NK) cell parameters as potential prognostic factors in cancer patients, which provides a strong rationale for…”
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Treatment of post transplant relapse of FLT3-ITD mutated AML using 5-azacytidine and sorafenib bitherapy
Published in Clinical lymphoma, myeloma and leukemia (01-04-2017)Get full text
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Correction: NKp30 expression is a prognostic immune biomarker for stratification of patients with intermediate-risk acute myeloid leukemia
Published in Oncotarget (10-09-2019)“…[This corrects the article DOI: 10.18632/oncotarget.17747.]…”
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Evaluation of comorbidity indexes in the outcome of elderly patients treated for acute lymphoblastic leukemia
Published in Leukemia & lymphoma (01-09-2014)Get full text
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Competition of Secondary versus Tertiary Carbenium Routes for the Type B Isomerization of Alkenes over Acid Zeolites Quantified by Ab Initio Molecular Dynamics Simulations
Published in ACS catalysis (01-11-2019)“…The skeletal isomerization of alkenes catalyzed by zeolites involves secondary and tertiary carbenium ions for which respective reactivity cannot be easily…”
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Long livestock farming history and human landscape shaping revealed by lake sediment DNA
Published in Nature communications (03-02-2014)“…The reconstruction of human-driven, Earth-shaping dynamics is important for understanding past human/environment interactions and for helping human societies…”
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Preventive Versus Curative Platelet Transfusion Strategies in the Treatment of Acute Myeloid Leukemia Patients: A Comparative Study
Published in Blood (06-12-2014)“…▪ Different transfusion care strategies are considered for the treatment of acute thrombopenia due to low or absence of production of platelets in Acute…”
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Ab Initio Screening of Divalent Cations for CH4, CO2, H2, and N2 Separations in Chabazite Zeolite
Published in Langmuir (14-11-2023)“…The efficient separation and adsorption of critical gases are, more than ever, a major focus point in important energy processes, such as CH4 enrichment of…”
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Transferable Gaussian Attractive Potentials for Organic/Oxide Interfaces
Published in The journal of physical chemistry. B (30-09-2021)“…Organic/oxide interfaces play an important role in many areas of chemistry and in particular for lubrication and corrosion. Molecular dynamics simulations are…”
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Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n‑Heptane Hydroconversion in a Large-Pore Zeolite
Published in ACS catalysis (21-01-2022)“…The optimization of predictive kinetic models for catalytic processes is a topical challenge. In the present work, a predictive multiscale single-event…”
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Impact of gene mutations on treatment response and prognosis of acute myeloid leukemia secondary to myeloproliferative neoplasms
Published in American journal of hematology (01-03-2018)“…Acute myeloid leukemias secondary (sAML) to myeloproliferative neoplasms (MPN) have variable clinical courses and outcomes, but remain almost always fatal…”
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Location of the Active Sites for Ethylcyclohexane Hydroisomerization by Ring Contraction and Expansion in the EUO Zeolitic Framework
Published in ACS catalysis (01-03-2019)“…Identifying the location of the active sites in a zeolite is a current challenge, impeding the design of optimal catalysts. In this work, we identify the…”
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