Jerome Pansanel

Jerome Pansanel
French National Centre for Scientific Research | CNRS · Institut Pluridisciplinaire Hubert Curien (IPHC)

PhD in Chemistry

About

32
Publications
68,863
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8,652
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Introduction
Jerome Pansanel currently works at the Institut Pluridisciplinaire Hubert Curien (IPHC), French National Centre for Scientific Research. Jerome does research in Bioinformatics, Chemo-informatics and Distributed Computing.
Additional affiliations
October 1999 - October 2003
University of Strasbourg
Position
  • Thesis
Education
October 1999 - October 2003

Publications

Publications (32)
Article
Full-text available
CE has been demonstrated to be a useful and powerful separation method for the characterization of charged and neutral molecules. Since the end of the 1980s and the development of the first commercialized CE device, the use of this separation method has continued to grow for academic and industrial research involving inexorably increasing of the nu...
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The possible role played by individual attributes, sociodemographic characteristics and/or ecological pressures in the interaction between animals and the development of social relationships between them is of great interest in animal ecology and evolutionary biology. Social Network Analysis is an ideal tool to study these types of questions. The A...
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Full-text available
Synopsis We provide theoretical cross sections for the ionization of pyrimidine by electron impact. The theoretical framework is based on a quantum approach making use of particular tools to overcome the computing challenges. The developed methodology allows to determine not only the total but also the triple, double and simple differential cross s...
Article
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Synopsis We present a theoretical approach to calculate the cross sections for the ionization of molecules by single electron impact. It is based on the First Born approximation (FBA), describing the ejected electron by a distorted wave (DW). The cross sections are calculated for an average molecular orientation with the proper average method. Sing...
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The High Performance Computing (HPC) domain aims to optimize code in order to use the latest multicore and parallel technologies including specific processor instructions. In this computing framework, portability and reproducibility are key concepts. A way to handle these requirements is to use Linux containers. These “light virtual machines” allow...
Article
We provide a theoretical approach to determine the triple differential cross sections (TDCSs) for the ionization of molecules by single electron impact at low computational cost. This approach is based on the distorted wave (DW) method used within the first Born approximation (FBA). The short-range interaction between the ejected electron and the i...
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Full-text available
Particle physics has an ambitious and broad experimental programme for the coming decades. This programme requires large investments in detector hardware, either to build new facilities and experiments, or to upgrade existing ones. Similarly, it requires commensurate investment in the R&D of software to acquire, manage, process, and analyse the she...
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Background Individual bees exhibit complex movement patterns to efficiently exploit small areas within larger plant populations. How such individual spatial behaviours scale up to the collective level, when several foragers visit a common area, has remained challenging to investigate, both because of the low resolution of field movement data and th...
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Full-text available
The High Performance Computing (HPC) domain aims to optimize code to use the latest multicore and parallel technologies including specific processor instructions. In this computing framework, portability and reproducibility are key concepts. A way to handle these requirements is to use Linux containers. These "light virtual machines" allow users to...
Article
Full-text available
In myriad biological systems, multiple lines of evidence indicate that modularity, wherein parts of a network are organized into modules such as subgroups in animal networks, may affect social transmission processes. In animal societies, there is increased interest in understanding variation in the effects of modularity on transmission as it may pr...
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We provide triple differential cross sections (TDCS) for the ionization of tetrahydrofuran (THF) by single electron impact in coplanar asymmetric kinematics in the intermediate energy regime. For the C s and C2 THF isomers, the analysis is carried out using (i) the highest occupied molecular orbitals energies available from ab initio calculations,...
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Theoretical triple differential cross sections for the simple ionization of the two outermost valence orbitals of formic acid monomer are given in this work. The first Born approximation is used to describe the collision dynamics with one Coulomb wave function for the ejected electron. Single-center molecular wave functions are generated using the...
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Social learning – the transmission of behaviors through observation or interaction with conspecifics – can be viewed as a decision-making process driven by interactions among individuals. Animal group structures change over time and interactions among individuals occur in particular orders that may be repeated following specific patterns, change in...
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Vers une fédération de Cloud Académique dans France Grilles
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Mise en place d'un gestionnaire de données léger, pluridisciplinaire et national pour les données scientifiques
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A New Boson with a Mass of 125 GeV Observed with the CMS Experiment at the Large Hadron Collider; The CMS Collaboration; The Higgs boson was postulated nearly five decades ago within the framework of the standard model of particle physics and has been the subject of numerous searches at accelerators around the world. Its discovery would verify...
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In line with genomics, proteomics has rapidly emerged as a promising field of research enabling the elucidation of numerous life sciences questions [1]. The tremendous progresses in mass spectrometry-based techniques over the last 20 years have led to the possibility to generate massive, highly accurate, qualitative and quantitative mass spectromet...
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Observation of a new boson at a mass of 125 GeV with the CMS experiment at the LHC; Results are presented from searches for the standard model Higgs in proton-proton collisions at root s = 7 and 8 TeV in the Compact Muon Solenoid experiment at the LHC, using data samples corresponding to integrated luminosities of up to 5.1 fb(-1) at 7 TeV and 5....
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Observation of a new boson at a mass of 125 GeV with the CMS experiment at the LHC; Results are presented from searches for the standard model Higgs boson in proton–proton collisionsat√s=7 and 8 TeV in the Compact Muon Solenoid experiment at the LHC, using data samplescorresponding to integrated luminosities of up to 5.1 fb−1at 7 TeV and 5.3 fb−1...
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ABSTRACT: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community...
Article
The combination of two organic tectons 1 and 2, based on a 1,4-phenylenediamine backbone functionalised with two pyridine units through amide junctions with HgCl2, leads to the formation of two types of 2-D networks, one of the purely metallo-organic type, based on only coordination bonds, and the other combining both coordination and hydrogen bond...
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The combination of three isomeric organic tectons 1–3 based on 1,2-, 1,3- and 1,4-phenylenediamine backbones bearing two isonicotinoyl groups with a Cu(OAc)2 neutral complex leads to the formation of 1-D and 2-D coordination networks. Whereas for both tectons 1 and 2 the network is generated through the interconnection of the organic moieties by co...
Article
Using 4,4',4"-tricyanotriphenylmethanol 1 as a heterotetradentate tecton with C3v symmetry bearing three CN and one OH group, under self-assembly conditions a 3-D coordination network was obtained in the presence of Ag+ cations acting as a tetrahedral metallic tecton; due to the metrics of 1 (three long and one short distance between the central C...
Article
The synthesis of tetrathiacalix[4]arene was achieved by the detertiobutylation of p-tert-butyltetrathiacalix[4]arene. X-ray diffraction studies revealed that in the solid state whereas p-tert-butyltetrathiacalix[4]arene forms inclusion complexes with solvent molecules, tetrathiacalix[4]arene undergoes self-inclusion leading to trimeric units. The s...
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Charles Plessy <plessy@debian.org> Cet article présente plusieurs logiciels libres régulièrement utilisés lors de la réalisation de criblages moléculaires. Après une brève introduction sur les logiciels libres, les applications logicielles suivantes seront présentées : • ScreeningAssistant, CDK et ChemiSQL (Gestion des chimiothèques) • Autodock et...

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