EnCOrE Chemistry, Education, Knowledge.    From the Real to the Virtual.Needs, Perceptions, Tools, Concepts    Montpellier...
For organic chemists by organic chemistshttp://www-fleming.ch.cam.ac.uk/http://www.fundp.ac.be/facultes/sciences/departeme...
"In a time of turbulence and         change, it is more true today than          ever that knowledge is power."           ...
Turnover 2009       € 1,900 billion (Basic)       € 550 billion (Pharma)                                       Chemistry ?...
WebScience for what purpose ?              Learning, Teaching & Chemical EncyclopediaFormal learning requires to take into...
Distant Learning Course in                              Organic Chemistry1.   University of Mexico & IOCD (http://organica...
From Guttemberg to HTML                                                                                                   ...
WebSicence = Tools?                       E-learning = Series of tools?                       Do we a need it?            ...
WebSicence = Database?            E-learning = Series of Databases?Concepts, Tools, Databases, Infrastructures
Teacher/learners interactionsComputer / Human interactions     Teacher/learner interactions (Human/Human)        Strategy ...
Chemical Information                                                ChemDic                                  Describing Ch...
Visual perceptions:                                                                       Photography of a painter paintin...
Mimesis & Perception of painters                                          GericaultGalopping horse photograph by E. Muybri...
Photos and Retouching                        M. Minoret  Martial CaillebotteMartial Caillebotte     rowing          Gustav...
Mimesis & contextual perception in chemistry    Context Name and Formula                     7,7-dimethylbicyclo[2.2.1]hep...
Mimesis & contextual perception in chemistryContexte of reactivity                             H                  H     H ...
ChemEd : Graphical User Interface (GUI)        Ontology           Ontology           Ontology            Ontology         ...
“In a time of turbulence and change, it is more true today than ever that knowledge is power" (John Fitzgerald Kennedy, St...
EnCOrE Organization from Matter to Substance                      matter                  material                        ...
EnCOrE Organization from Matter to Substance                       matter                   material                      ...
Pure chemical substance                                                 EnCOrE Organization from Matter to Substance      ...
From Atom to AtomGroup       BeCl2A                A                                                                VSEPR ...
From Atom to Functional GroupHydrogen           HydrogenIsotopes           ElementHydrogen             H            H     ...
From Atom to Functional Group Carbon                     CarbonIsotopes                    Element                        ...
Knowledge? Knowledge differs from data or information in that new knowledge may be created from existing knowledge using l...
Learning ?Learning is acquiring new or modifying existing knowledge, behaviors,skills, values, or preferences and may invo...
Learning?Learning is the act, process, or experience of gaining knowledgeor skill (The free dictionary)Learning is knowled...
E-Learning?                                             E-LearningE-learning is essentially the computer and network-enabl...
Chemistry ?Chemistry is the science of matterChemistry is the branch of the natural sciences dealing with thecomposition o...
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EnCOrE - Alain Krief

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Talk at Web Science Montpellier Meetup - 13th May 2011

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EnCOrE - Alain Krief

  1. 1. EnCOrE Chemistry, Education, Knowledge. From the Real to the Virtual.Needs, Perceptions, Tools, Concepts Montpellier, 05/12/2011
  2. 2. For organic chemists by organic chemistshttp://www-fleming.ch.cam.ac.uk/http://www.fundp.ac.be/facultes/sciences/departements/chimie/recherche/centres/cos/ We plan to create a freely available, net- based, encyclopaedia of organic chemistry. It will remain up-to-date to assist education, and provide information and knowledge in organic chemistry at all levels from university students to practitioners in research. (I. Fleming, A. Krief, 28.08. 1999)
  3. 3. "In a time of turbulence and change, it is more true today than ever that knowledge is power." John Fitzgerald KennedyState of the Union: Knowledge, 1963; White House Dinner Reception, April 1962; http://www.socialstudieshelp.com/Lesson_104_GreatQuotes.htm)
  4. 4. Turnover 2009 € 1,900 billion (Basic) € 550 billion (Pharma) Chemistry ?Chemistry is the science of substances: their structure, theirproperties, and the reactions that change them into other substances(Pauling, Linus, 1947, General Chemistry. Dover Publications, Inc.. ISBN 0486656225.composition, structure, properties, matter, changes, reactions, atomic, molecular, supra-molecular, art.
  5. 5. WebScience for what purpose ? Learning, Teaching & Chemical EncyclopediaFormal learning requires to take into account:• the past (what is known by the learner)• the future (what we want to achieve and to what purpose)Encyclopedia should be• inspiration for teachers to which they can link their presentations• an help to learner to access more detailed information• a standardization of secure source of chemical knowledge and data
  6. 6. Distant Learning Course in Organic Chemistry1. University of Mexico & IOCD (http://organica1.org)2. Visits: 1,400 000 (2009); 1,850 000 (45,000 000 clicks, 2010); >2,200 000 (2011)3. Visited by students & Professors Universities of Mexico, Colombia, Chile, Venezuela,4. Reasons 1. Continuous update of the information for nearly 13 years (Since 1998) 2. Visitors are not required to register; 3. Material is free to use and in different versions, PDF, Power Point, Flash, Text, HTML, etc 4. The programs are very visual and interactive in order to help students to understand and learn difficult concepts.5. Future 1. Developing applications for mobile, iphone and ipad (light version: free of charge; 2. Full version nominal cost of US$5-10, to generate resources to expand the program, and give more visibility to IOCD.
  7. 7. From Guttemberg to HTML 7http://www.nwlink.com/~donclark/history_knowledge/printpress.html http://www.greatsite.com/facsimile-reproductions/gutenberg-1455.html
  8. 8. WebSicence = Tools? E-learning = Series of tools? Do we a need it? For what purpose ?Wranch Screw drivers Bolts Screws
  9. 9. WebSicence = Database? E-learning = Series of Databases?Concepts, Tools, Databases, Infrastructures
  10. 10. Teacher/learners interactionsComputer / Human interactions Teacher/learner interactions (Human/Human) Strategy 1. Understand how the Chemists behave 2. Understand how the Computer works 3. Describe protocols to transfer the message from Human to Computer 4. Use the proper language & psychology to train a Computer
  11. 11. Chemical Information ChemDic Describing Chemical terms in context Name of chemists Abbreviations Entry to the Encyclopedia Description of structures is related Chemical dictionary to Ontological dictionary Visual perceptions Etymological dictionary Grammatical dictionary Encyclopedic dictionary ChemEd Visual dictionary TranslatorDescribing chemical structures in text in contextDescribing numbers related to chemical structures in text ChemGroup ChemOrg ©◊
  12. 12. Visual perceptions: Photography of a painter painting Camera, Film Eye, Brain Perceive ProcessHodler peignant « Le Faucheur » sur le toit de son atelier, rue du Rhône à Genève ExpressPhotographie anonyme 1910 Winterthour SSP © Fotostiftung Schweiz, Winterthur Shared Vision "All our knowledge has its origins in our perceptions" (Leonardo da Vinci)
  13. 13. Mimesis & Perception of painters GericaultGalopping horse photograph by E. Muybridge (1878) Gericault Miro
  14. 14. Photos and Retouching M. Minoret Martial CaillebotteMartial Caillebotte rowing Gustave Caillebotte Soins naturels NIVEAwww.nivea.be/pure&natural Soins enrichis en huile dargan BIO Pour une belle peau, naturellement CaillebotteMartial Caillebotte Gustave Caillebotte portrait http://www.creabar.com/tutoriaux,poupee.html
  15. 15. Mimesis & contextual perception in chemistry Context Name and Formula 7,7-dimethylbicyclo[2.2.1]heptan-2-one O C9H14O Context Framework, Groups and Functional Groups O O Context Spectroscopy (NMR) H H 1H NMR 0.99 0.99 21.1 45.2 21.1 13CNMRH H HH H 2.03 58.1 H O 1.88;1.62 O 25.0 OH 218.5 H H H H 1.59;1.34 1.99 2.15;1.90 27.6 43.3 44.1 H 3 2 1 0 240 220 200 180 160 140 120 PPM 100 80 60 40 20 0 PPM
  16. 16. Mimesis & contextual perception in chemistryContexte of reactivity H H H H OLi OLi OO O LDA H N Li H H HH H H H Me MeLi Me OLi CH2 Ph3P CH2 H O O O LiBr OLi Me HContext of synthesis RO CN OR O O O + H + H CN H H
  17. 17. ChemEd : Graphical User Interface (GUI) Ontology Ontology Ontology Ontology Ontology 1 2 3 4 5 Query H O O O HO HZzadcf gjdbn Ccbnxw sssss azertysxnkv;f,n;xw bn wnwxn,n;wx uiopqsdfghjklmù cccccc wx, cvbn bncccccc wnwxn,n;wx sssssssssVVVVVVVVV<?xml version="1.0"?> cccccc<structure id="s1" title="acetaldehyde.xml"> <fragment fNo="0" id="0carbon" title="carbon" type="base" linkHead1="" linkHeadId1=“” linkHead2="" linkHeadId2=""x1="" y1=""/> <fragment fNo="1" id="1carbonyl" title="carbonyl" type="singleLink" linkHead1="0”linkHeadId1="carbon-a1-o1"linkHead2="" linkHeadId2="" x1="" y1=""/> <fragment fNo="2" id="2hydrogen" title="hydrogen" type="singleLink" linkHead1="1” linkHeadId1="carbonyl-a1-o4"linkHead2="" linkHeadId2="" x1="" y1=""/></structure>
  18. 18. “In a time of turbulence and change, it is more true today than ever that knowledge is power" (John Fitzgerald Kennedy, State of the Union, 1963;White House Dinner Reception, April 1962). "In the new economy, information, education, and motivation are everything" (William J. Clinton)."Dreams are often most profound when they seem the most crazy" (Sigmund Freud). "Il est établit que nous ne pensons quavec le secours desmots; que les langues sont de véritables méthodes analytiques; que lalgèbre la plus simple, la plus exacte et la mieux adaptée à son objet detoutes les manières de sénoncer, est à la fois une langue et une méthode analytique; enfin, que lart de raisonner se réduit en une langue bien"In the new economy, information, education, andfaite. Et en effet, tandis que je croyais ne moccuper que de nomenclature, tandis que je navais pour objet que de perfectionner le langage de lachimie, mon ouvrage sest transformé insensiblement entre mes mains, sans quil mait été possible de men défendre, en un traité élémentairede chimie. Limpossibilité disoler la nomenclature de la science et la science de la nomenclature tient à ce que toute science physique estmotivation are everything” (William J. Clinton).nécessairement formée de trois choses : la série des faits qui constituent. la science ; les idées qui les rappellent ; les mots qui les expriment. Lemot doit faire naître lidée; lidée doit peindre le fait : ce sont trois empreintes dun même cachet ; et, comme ce sont les mots qui conservent lesidées et qui les transmettent, il en résulte quon ne peut perfectionner le langage sans perfectionner la science, ni la science sans le langage, etque, quelque certains que fussent les faits, quelque justes que fussent les idées quils auraient fait naître, ils ne transmettraient encore que desimpressions fausses, si nous navions pas des expressions exactes pour les rendre" (A. Lavoisier, Traité élémentaire de Chimie, 1789). "Lachimie crée son objet " (Marcelin Berthelot, 1860). "A scientific truth does not triumph by convincing its opponents and making them see the light,"..dove la natura finisce di produrre le sue specie, luomobut rather because its opponents eventually die and a new generation grows up that is familiar with it" (Max Plank). Research is what Im doingwhen I dont know what Im doing (Wernher von Braun). "..dove la natura finisce di produrre le sue specie, luomo quivi comincia con le cosenaturali, con laiutorio di essa natura a creare infinite spezie" (Leonardo da Vinci, Designi Anatomici). "Le langage est une législation, la languequivi comincia con le cose naturali, con laiutorio di essaen est un code" (Roland Barthes, Leçon inaugurale, Collége de France, 1977). "Tout comme il existe un domaine de la chimie moléculairecaractérisée par la molécule covalente, il existe un domaine de la chimie supramoléculaire qui est la chime des assemblages moléculaires et denatura a creare infinite spezie" (Leonardo da Vinci,la liaison intermoleculaire" (Jean-Marie Lehn,1978). "A man should look for what he thinks should be" (Albert Einstein). "Do not quench yourinspiration and your imagination; do not become the slave of your model" (Vincent Van Gogh). "Education is what remains after one has forgottenwhat one has learned in school" (Albert Einstein). "Education is the most powerful weapon which you can use to change the world" (NelsonDesigni Anatomici)Mandela). “Never doubt that small group of dedicated individuals can change the world. In fact it is the only thing that ever has" (Magaret Mead).“Facts are the air of scientists. Without them you can never fly" (Linus Pauling). "Give me a lever long enough and a fulcrum on which to place it,and I shall move the world" (Archimede). "All our knowledge has its origins in our perceptions" (Leonardo da Vinci). Iron rusts from disuse; waterloses its purity from stagnation even so does inaction sap the vigor of the mind (Leonardo da Vinci). "Man is the best computer we can putaboard a spacecraft, and the only one that can be mass produced with unskilled labor" (Wernher von Braun). Analogies, it is true, decide nothing,but they can make one feel more at home" (Sigmund Freud). "Conscience is a mans compass" (Vincent Van Gogh). "Eppur si muove" (Galileo“Never doubt that small group of dedicated individualsGalile, 1633). "If you will it, it is no dream" (Theodor Herzl. "Le meilleur travail nest pas celui qui te coûtera le plus ; cest celui que tu réussiras lemieux " (Jean-Paul Sartre, 1948). Lorsquun nouveau domaine de science apparait, grandit et murit, il élabore des concepts fondamentaux etgénère une terminologie pour nommer les concepts qui le définissent et les objets qui le constituent. Le fait de conceptualiser et de nommer jouecan change the world. In fact it is the only thing that everun rôle très important non seulement pour donner forme au domaine mais aussi parce quil offre un projet à limagination créatrice-tant il est vraique limagination peut se laisser emporter par la magie des mots et entrainer par le pouvoir évocateur et stimulant des concepts (Jean-Mariehas" (Magaret Mead)Lehn, 1995). "After climbing a great hill, one only finds that there are many more hills to climb" (Nelson Mandela). Age is whatever you think it is.You are as old as you think you are" (Muhammad Ali). "Silence is the ultimate weapon of power" (Charles de Gaulle). "A man who views theworld the same at fifty as he did at twenty has wasted thirty years of his life"(Muhammad Ali). ). "Jai entendu vos points de vue. Ils ne rencontrentpas les miens. La décision est prise à lunanimité" (Charles de Gaulle). "Time destroys everything" (Monica Bellucci). "In todays knowledge-based economy, what you earn depends on what you learn" (William J. Clinton). "Always bear in mind that your own resolution to succeed ismore important than any other" (Abraham Lincoln). "We all need illusions. Thats why we love movies" (Monica Bellucci). Ugliness is in a waysuperior to beauty because it lasts (Serge Gainsbourg). ). "Better to die standing, than to live on your knees (Ernesto "Che" Guevara)
  19. 19. EnCOrE Organization from Matter to Substance matter material Chemical Physical Energy properties properties mixture of chemical chemical substance Chemical Physical Exothermic Radiative substances changes changes Change energy solid/liquid/gaz Kinetic Chemical Changes Endothermic energy changes of state Change pure chemical Potential substance energy methane, graphite Conformationnal Chemical Chemical changes reaction Transformationpure chemical substance Inorganic Organic Oxidation Transformation pure chemical substance reaction reaction status type isotopically isotopically heterogeneous homogeneous Named Oxidation Addition reactions Reduction Substitution hysoipsic Elimination chemical substance isotopically enriched isComposedOf natural abundance Rearrangement 13CH , C2H4 chemical substance 4
  20. 20. EnCOrE Organization from Matter to Substance matter material Chemical Physical Energy properties properties mixture of chemical chemical substance substances solid/liquid/gaz pure chemical homogeneous interface heterogeneous substance methane, graphite single phase colloidpure chemical substance solution composite pure chemical substance isotopically isotopically heterogeneous homogeneous multiphase solvent solute composition molarity chemical substance isotopically enriched isComposedOf natural abundance 13CH , C2H4 chemical substance 4
  21. 21. Pure chemical substance EnCOrE Organization from Matter to Substance isotopically homogeneous Metallic Molecular Supramolecular compounds compounds compounds Metal Molecule Supramolecule Ionic compounds Helium, chlore, methane Interaction Species Week Strong interaction interaction Atom Ion mechanical Hydrogen Element covalent bond bond bonding Like H, C, O Radical- Ion/dipole Dipole/dipole isAKindOf ion interaction interactionisACollectionOf metallic bond Cation-Pi Pi-Pi interaction Radical interaction Isotope Like 1H, 2H, 3H Hydrophobic Van der Walls Intermediate interaction interaction s
  22. 22. From Atom to AtomGroup BeCl2A A VSEPR Theorie Linear0 BF3 O3 Linear CH3+ trigonal planar BentA A A Tetrahedral Trigonal pyramidal Trigonal bipyramide Seesaw CH4 NH3 H2O HCl T-shaped NH4+ OctahedralA A A A Square pyramidal SO42- SquareA A A A A SF6 Fe(CN)63- Fe(CN)64- Ni(NH3)62+A A A A A A
  23. 23. From Atom to Functional GroupHydrogen HydrogenIsotopes ElementHydrogen H H H H Atom Hydrogen Hydronium Hydride Hydrogen AtomGroup ion ion RadicalDeuterium Atom Tritium Atom
  24. 24. From Atom to Functional Group Carbon CarbonIsotopes Element C C C11-Carbon Carbonium Carbon Aromatic Carbenium Carbanion Carbon ion AtomGroup carbon ion Radical12-Carbon C C C C C C13-Carbon C C C C C C C Di-carbenium Radical-cation Carbene14-Carbon C Di-carbanion Radical-anion C C C
  25. 25. Knowledge? Knowledge differs from data or information in that new knowledge may be created from existing knowledge using logical inference. If information is data plus meaning then knowledge is information plus processing (http://www.thefreedictionary.com/knowledge)Kowledge can include facts and information, as well as understandingthat is gained through experience, education or reason. It can be:implicit (as with practical skill or expertise) or explicit (as with thetheoretical understanding of a subject), more or less formal orsystematic (http://en.wikipedia.org/wiki/Knowledge)Knowledge is human faculty resulting from interpreted information;understanding that germinates from combination of data, information,experience, and individual interpretation.http://www.businessdictionary.com/definition/knowledge.htmlKnowledge has come to be recognized as a factor of production in itsown right, and distinct from labor.
  26. 26. Learning ?Learning is acquiring new or modifying existing knowledge, behaviors,skills, values, or preferences and may involve synthesizing differenttypes of information.The ability to learn is possessed by humans, animals and some machinesHuman learning may occur as part of education, personal development,or training. It may be goal-oriented and may be aided by motivation.The study of how learning occurs is part of neuropsychology,educational psychology, learning theory, and pedagogy.Learning may occur as a result of habituation or classical conditioning,(seen in many animal species, or as a result of more complex activitiessuch as play, seen only in relatively intelligent animals). Learning mayoccur consciously or without conscious awareness.Play has been approached by several theorists as the first form oflearning. (Lev Vygotsky, Social constructivism)
  27. 27. Learning?Learning is the act, process, or experience of gaining knowledgeor skill (The free dictionary)Learning is knowledge or skill gained through schooling or study(The free dictionary)Learning is behavioral modification especially through experienceor conditioning (The free dictionary)Learning is measurable and relatively permanent change in behaviorthrough experience,Learning is "detection and correction of error" where an errormeans "any mismatch between our intentions and what actuallyhappens" (Harvard Business School psychologist Chris Argyris)(Business dictionary
  28. 28. E-Learning? E-LearningE-learning is essentially the computer and network-enabled transfer ofskills and knowledge. E-learning applications and processes includeWeb-based learning, computer-based learning, virtual classroomopportunities and digital collaboration. Content is delivered via theInternet, intranet/extranet, audio or video tape, satellite TV, and CD-ROM. It can be self-paced or instructor-led and includes media in theform of text, image, animation, streaming video and audio (Wikipedia). E-learning that is supported by information and communication technologies (ICT). E-learning is, therefore, not limited to ‘digital literacy’ (the acquisition of IT competence) but may encompass multiple formats and hybrid methodologies, in particular, the use of software, Internet, CD-ROM, online learning or any other electronic or interactive media (European Commission).
  29. 29. Chemistry ?Chemistry is the science of matterChemistry is the branch of the natural sciences dealing with thecomposition of substances and their properties and reactions.(wordnetweb.princeton.edu/perl/webwn)Chemistry is the science of the composition, structure, properties, andreactions of matter, especially of atomic and molecular systems.http://www.thefreedictionary.com/chemistryChemistry is the art of resolving mixt, compound, or aggregate bodiesinto their principles; and of composing such bodies from thoseprinciples (Stahl, 1730, Philosophical Principles of Universal Chemistry. London.)Chemistry is the science of substances: their structure, theirproperties, and the reactions that change them into other substances(Pauling, Linus, 1947, General Chemistry. Dover Publications, Inc.. ISBN 0486656225.Chemistry is the study of matter and the changes it undergoes(Chang,1998, Chemistry, 6th Ed.. New York: McGraw Hill. ISBN 0-07-115221-0)

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