DOCSLIB.ORG

CSO 202A Atoms Molecules and Photons

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
CSO 202A Atoms Molecules and Photons CSO 202A Atoms Molecules and Photons Piazza sign-up link: piazza.com/iitk.ac.in/secondsemester2017/cso202 Piazza class link: piazza.com/iitk.ac.in/secondsemester2017/cso202/home Instructors: Dr. Manabendra Chandra and Dr. Madhav Ranganathan Lec: M,W,Th: 12:00-12:50 L3 CSO 202A : Atoms Molecules and Photons Tutors: Sourav Karmakar ([email protected]) Navin Subba ([email protected]) Aqeel Malani ([email protected]) Tut: Friday: 17:00-17:50 T207-209 Grading scheme: Quiz-1 (45 mins): 15% (module 1) 3rd Feb. 2017 Quiz-2 (45 mins): 15% (module 3) 31 st Mar. 2017 MidSem (2 hrs): 35% (module 1 + module 2) EndSem (2 hrs) : 35% (module 3 + module 4) CSO 202A : Atoms Molecules and Photons Path-breaking research works in the field of chemical reaction dynamics 2007: Gerhard Ertl "for his studies of chemical processes on solid surfaces" 2013: Martin Karplus, Michael Levitt and Arieh Warshel "for the development of multiscale models for complex chemical systems". 2014: Eric Betzig, Stefan W. Hell and William E. Moerner "for the development of super-resolved fluorescence microscopy". CSO 202A : Atoms Molecules and Photons Course plan Module 2 Module Module 1 CSO 202A Module 3 4 Module Module 1: Chemical Reaction Dynamics with Molecular Beams Module 2: Ultrafast Chemical Reaction Dynamics with Ultrashort- Pulsed Lasers Module 3: Catalytic Reactions on Solid Surfaces Module 4: Chemistry with Supercomputers CSO 202A : Atoms Molecules and Photons Module 1 : Chemical Reaction Dynamics with Molecular Beams CSO 202A : Atoms Molecules and Photons Consider the reaction: This way of writing down chemical reactions, using arrows and symbols, is ‘incomplete’ Do rates depend on internal quantum states of the reactants? What are the internal quantum states of the products? What is the dependence of chemical reactivity on molecular orientation? Dependence on the impact of collision? What are the nature of reaction intermediates and their subsequent decay dynamics in case of complex polyatomic molecular reactants? CSO 202A : Atoms Molecules and Photons Answers can be found by doing experiments using crossed molecular beam technique 2Na + O2 → Na2O + O CSO 202A : Atoms Molecules and Photons The Nobel Prize in Chemistry 1986 Dudley R. Yuan T Lee John C Herschbach Polanyi "for their contributions concerning the dynamics of chemical elementary processes" CSO 202A : Atoms Molecules and Photons Module 2 : Ultrafast Chemical Reaction Dynamics with Ultrashort- Pulsed Lasers CSO 202A : Atoms Molecules and Photons Consider a chemical transformation CH3I + Na → CH3---I----Na → CH3 + NaI Transition state In any chemical reaction the motions of the electrons and nuclei of atoms determine how the molecules interact, and those interactions in turn create the forces that govern the reaction's dynamics. If one can determine how molecular motions change during the critical transition phase, we can understand how new chemical bonds form and old ones disappear. CSO 202A : Atoms Molecules and Photons Question How can one study transition state(s) in real time? Answer Need ultrafast probe and detection technique CSO 202A : Atoms Molecules and Photons Consider a simple dissociation reaction ICN → I + CN J. Chem. Phys., 1987, 87(4), 2395 CSO 202A : Atoms Molecules and Photons J. Chem. Phys., 1987, 87(4), 2395 CSO 202A : Atoms Molecules and Photons The Nobel Prize in Chemistry 1999 Ahmed Zewail “for his studies of the transition states of chemical reactions using femtosecond spectroscopy" CSO 202A : Atoms Molecules and Photons Molecular structures for a reaction in progress involving two molecules (bimolecular). The diatomic iodine molecule (I2, top) is split by exchange of an electron with the ring molecule benzene (C6H6). CSO 202A : Atoms Molecules and Photons Molecular structures for a reaction in progress involving two molecules (bimolecular). CSO 202A : Atoms Molecules and Photons Module 3: Catalytic Reactions on Solid Surfaces CSO 202A : Atoms Molecules and Photons Fritz-Haber synthesis of Ammoia Consider the reaction N2 + 3 H2 ====> 2NH3 ● Simple looking reaction, Exothermic reaction ● Requires 700 K, 200 Bar pressure ● Negligible rate without a catalyst – Fe ● Fritz Haber: Nobel Prize 1918 (Discovery) ● Carl Bosch : Nobel Prize 1931 (Commercialized the Haber process) ● Elucidation of the mechanism : Gerhard Ertl: Nobel Prize 2007 Why is it such a big deal ? CSO 202A : Atoms Molecules and Photons Greatest discovery of the last century ?? ● Ammonia production is the first stage of fertilizer preparation and the most difficult Fritz-Haber process replicated that of N-fixing bacteria and transformed the N-cycle Nitrogen compounds are also used in explosives – World War II CSO 202A : Atoms Molecules and Photons Nitrogen cycle Chile Saltpeter NaNO3 : Natural source of Nitrates CSO 202A : Atoms Molecules and Photons Gerhard Ertl's Mechanism The Physical Chemistry elements involved - Gas laws and transport processes, reaction thermodynamics, kinetics, catalysis, surface chemistry, experiments, Ultra-High vaccuum CSO 202A : Atoms Molecules and Photons Why is this reaction so difficult ? N2 + 3 H2 ====> 2NH3 ● N – N triple bond ● One of the strongest known bonds ● The inertness of N2 is well known ● Liquid Nitrogen is frequently used to cool ● Nitrogen is easily available in the atmosphere but fixing it artificially is very hard ● Fe surface provides an easier way to break N-N bond N2 (g) ===> N2 (ads) ====> 2 N (ads) Nobel Prize in Chemistry 2007 Gerhard Ertl for his studies of chemical processes on solid surfaces CSO 202A : Atoms Molecules and Photons Module 4: Chemistry with Supercomputers ● Consider the H2 molecule containing 2 electrons and 2 protons ● How does one calculate the equlibrium bond length of H2 ? ● Use the Born-Oppenheimer Approximation and fix protons and write Schrodinger equation ● Solve for lowest energy state and obtain E0(R) ● Vary R and find Req corresponding to minimum E0 CSO 202A : Atoms Molecules and Photons Chemistry with Supercomputers But the above equation cannot be solved exactly !!! ● Numerical methods implemented on a computer ● Req = 74.1 pm Bond dissociation energy = 4.52 eV For large molecules, several bond lengths, bond angles have to be optimized !!! ● Need for advanced mathematical and numerical techniques CSO 202A : Atoms Molecules and Photons Nobel Prize in Chemistry 1998 Walter Kohn John A Pople The Nobel Prize in Chemistry 1998 was divided equally between Walter Kohn "for his development of the density-functional theory" and John A. Pople "for his development of computational methods in quantum chemistry" CSO 202A : Atoms Molecules and Photons OK – That’s the structure of a single molecule, but what about dynamics ? What about behavior of a large number of molecules ? One popular method is Molecular Dynamics Simulations using effective potential energies and classical dynamics B. Alder and C. Wainwright (1955) and Aneesur Rahman (1959) CSO 202A : Atoms Molecules and Photons Nobel Prize in Chemistry 2013 The Nobel Prize in Chemistry 2013 was awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel "for the development of multiscale models for complex chemical systems"..
Load more

Recommended publications
  • University of Toronto University-Wide Impact Presentation
    UNIVERSITY OF TORONTO UNIVERSITY-WIDE IMPACT PRESENTATION INTRO: .......................................................................................... 2 SECTION 1: GLOBAL FOOTPRINT .............................................. 3 SECTION 2: INNOVATION AND IMPACT .................................... 15 SECTION 3: EXCELLENCE AND LEADERSHIP IN SOCIETY ..... 31 Text is not editable on animation slides. Updated May 2021 ON-SCREEN IMAGE SPEAKER’S NOTES BEGINNING OF PRESENTATION [Good afternoon]. My name is [X], and I serve as [X] at the University of Toronto. Thank you for joining us [today]. [Today] I would like to take you through a presentation that speaks to the crucial role that U of T is honoured to play in our communities and our world. U of T is a world-leading university with three campuses in the Greater Toronto Area. We provide students with a comprehensive global education, produce life-changing research, and promote economic growth and social progress in our communities. I’m going to cover three aspects: • U of T’s Global Footprint • U of T’s Innovation and Impact • U of T’s Excellence and Leadership in Society Since its very early days, U of T has been fortunate to have forged connections with institutions around the world and to have welcomed faculty and students from elsewhere to become part of the U of T community. Today, U of T’s global footprint is significant. 2 SECTION 1 GLOBAL FOOTPRINT 3 ON-SCREEN IMAGE SPEAKER’S NOTES We are immensely proud of our worldwide alumni community. Over 630,000 U of T alumni live, work and contribute to civil society in more than 190 countries and territories. Few universities in the world can rival the cultural diversity of our student population.
    [Show full text]
  • The Nobel Prize in Chemistry 2013 the Royal Swedish Academy of Sciences Has Decided to Award the Nobel Prize in Chemistry for 2013 To
    PRESSMEDDELANDE Press release 9 October 2013 The Nobel Prize in Chemistry 2013 The Royal Swedish Academy of Sciences has decided to award the Nobel Prize in Chemistry for 2013 to Martin Karplus Michael Levitt Arieh Warshel Université de Strasbourg, France and Stanford University School of Medicine, University of Southern California, Harvard University, Cambridge, MA, USA Stanford, CA, USA Los Angeles, CA, USA “for the development of multiscale models for complex chemical systems” The computer — your Virgil in the world of atoms Chemists used to create models of molecules This year’s Nobel Laureates in chemistry took the best using plastic balls and sticks. Today, the modelling from both worlds and devised methods that use both is carried out in computers. In the 1970s, Martin classical and quantum physics. For instance, in simu- Karplus, Michael Levitt and Arieh Warshel laid the lations of how a drug couples to its target protein in foundation for the powerful programs that are used the body, the computer performs quantum theoretical to understand and predict chemical processes. calculations on those atoms in the target protein that Computer models mirroring real life have become interact with the drug. The rest of the large protein is crucial for most advances made in chemistry today. simulated using less demanding classical physics. Chemical reactions occur at lightning speed. In a fraction Today the computer is just as important a tool for of a millisecond, electrons jump from one atomic nucleus chemists as the test tube. Simulations are so realistic to the other. Classical chemistry has a hard time keeping that they predict the outcome of traditional experiments.
    [Show full text]
  • Molecular Geometry and Molecular Graphics: Natta's Polypropylene And
    Molecular geometry and molecular graphics: Natta's polypropylene and beyond Guido Raos Dip. di Chimica, Materiali e Ing. Chimica \G. Natta", Politecnico di Milano Via L. Mancinelli 7, 20131 Milano, Italy [email protected] Abstract. In this introductory lecture I will try to summarize Natta's contribution to chemistry and materials science. The research by his group, which earned him the Noble prize in 1963, provided unprece- dented control over the synthesis of macromolecules with well-defined three-dimensional structures. I will emphasize how this structure is the key for the properties of these materials, or for that matter for any molec- ular object. More generally, I will put Natta's research in a historical context, by discussing the pervasive importance of molecular geometry in chemistry, from the 19th century up to the present day. Advances in molecular graphics, alongside those in experimental and computational methods, are allowing chemists, materials scientists and biologists to ap- preciate the structure and properties of ever more complex materials. Keywords: molecular geometry, stereochemistry, chirality, polymers, self-assembly, Giulio Natta To be presented at the 18th International Conference on Geometry and Graphics, Politecnico di Milano, August 2018: http://www.icgg2018.polimi.it/ 1 Introduction: the birth of stereochemistry Modern chemistry was born in the years spanning the transition from the 18th to the 19th century. Two key figures were Antoine Lavoisier (1943-1794), whose em- phasis on quantitative measurements helped to transform alchemy into a science on an equal footing with physics, and John Dalton (1766-1844), whose atomic theory provided a simple rationalization for the way chemical elements combine with each other to form compounds.
    [Show full text]
  • The Grand Challenges in the Chemical Sciences
    The Israel Academy of Sciences and Humanities Celebrating the 70 th birthday of the State of Israel conference on THE GRAND CHALLENGES IN THE CHEMICAL SCIENCES Jerusalem, June 3-7 2018 Biographies and Abstracts The Israel Academy of Sciences and Humanities Celebrating the 70 th birthday of the State of Israel conference on THE GRAND CHALLENGES IN THE CHEMICAL SCIENCES Participants: Jacob Klein Dan Shechtman Dorit Aharonov Roger Kornberg Yaron Silberberg Takuzo Aida Ferenc Krausz Gabor A. Somorjai Yitzhak Apeloig Leeor Kronik Amiel Sternberg Frances Arnold Richard A. Lerner Sir Fraser Stoddart Ruth Arnon Raphael D. Levine Albert Stolow Avinoam Ben-Shaul Rudolph A. Marcus Zehev Tadmor Paul Brumer Todd Martínez Reshef Tenne Wah Chiu Raphael Mechoulam Mark H. Thiemens Nili Cohen David Milstein Naftali Tishby Nir Davidson Shaul Mukamel Knut Wolf Urban Ronnie Ellenblum Edvardas Narevicius Arieh Warshel Greg Engel Nathan Nelson Ira A. Weinstock Makoto Fujita Hagai Netzer Paul Weiss Oleg Gang Abraham Nitzan Shimon Weiss Leticia González Geraldine L. Richmond George M. Whitesides Hardy Gross William Schopf Itamar Willner David Harel Helmut Schwarz Xiaoliang Sunney Xie Jim Heath Mordechai (Moti) Segev Omar M. Yaghi Joshua Jortner Michael Sela Ada Yonath Biographies and Abstracts (Arranged in alphabetic order) The Grand Challenges in the Chemical Sciences Dorit Aharonov The Hebrew University of Jerusalem Quantum Physics through the Computational Lens While the jury is still out as to when and where the impressive experimental progress on quantum gates and qubits will indeed lead one day to a full scale quantum computing machine, a new and not-less exciting development had been taking place over the past decade.
    [Show full text]
  • Download Article (PDF)
    Conference Call nected fields: from the isolated molecule to whole Malta III—Research and cellular systems, from the structure and reactivity of simple biological molecules to the investigation Education in the Middle East of the functionality of enzymes, nucleic acids, and by John M. Malin membranes, from looking at the fundamental physics underlying simple molecular processes to uses in clini- cal biochemistry. Known as “Malta III,” the third conference in the The participation of well-known specialists in dif- series, Frontiers of Chemical Sciences: Research and ferent domains of infrared spectroscopy provided a Education in the Middle East, was held in Istanbul, complete overview about the full potential of the tech- Turkey, from 8–13 December 2007. This remarkable nology. In this sense, it is worth mentioning the inter- series of meetings continues to bring scientists from esting lectures of Henry Mantsch, Dieter Naumann, Middle Eastern countries and other nations together Jürgen Schmitt, Rui Fausto, Ronald Birke, Urs Peter to discuss common problems and encourage col- Fringeli, José Luis Arrondo, Jean-Marie Ruysschaert, laborative research in the fields of energy, materials and Klaus Brandenburg among many others, which science, natural products, green chemistry, education, provided different points of views on the potential of and environment. FTIR. These perspectives definitely enriched the dis- Middle Eastern participation in Malta III was the cussions after each session. largest yet of the three conferences, named for the At the same time, the informal ambience of this island of Malta where the first two meetings were event also helped stimulate the interaction among held. Of the 90 participants, 67 were from Middle participants.
    [Show full text]
  • A Lateral Thinker
    CHEMISTRY MASTERCLASS OUTLOOK In physics, the big question is: how can the two great theories in physics — quantum physics and M GRAYSON the theory of gravitation — be unified? There are other questions: what is the content of our Universe? What are dark matter and dark energy? Only four per cent of the Universe is the matter that we are made of; what is the rest? In biology, there is: what is life? We know which elements are important for life, but will it ever be possible for humans to create artificial life? These are the big questions. Chemistry has nothing compared with this. Erwin Schrodinger posed the question ‘what is life?’ seventy years ago in his book of the same title. How close have we come to answering it? The question that Schrodinger was asking was very specific — in essence, do we expect that new laws will be necessary to describe biology? And he couldn’t give an answer, mainly because he was not able to explain the formation of structure in biology. Not only molecular structure, but larger structures as well – for example, how does a cell divide only in the middle? We can start to answer these questions using non-linear dynamics — and that is the field that interests me the most. What is the importance of structure to life? Self-organization is the basis for all kinds of structure formation. Closed systems that have no external inputs will eventually find a state of equilibrium that can be disordered or ordered. For example, salt ions precip- itating out of a solution can assemble into ordered crystals.
    [Show full text]
  • Cambridge's 92 Nobel Prize Winners Part 4 - 1996 to 2015: from Stem Cell Breakthrough to IVF
    Cambridge's 92 Nobel Prize winners part 4 - 1996 to 2015: from stem cell breakthrough to IVF By Cambridge News | Posted: February 01, 2016 Some of Cambridge's most recent Nobel winners Over the last four weeks the News has been rounding up all of Cambridge's 92 Nobel Laureates, which this week comes right up to the present day. From the early giants of physics like JJ Thomson and Ernest Rutherford to the modern-day biochemists unlocking the secrets of our genome, we've covered the length and breadth of scientific discovery, as well as hugely influential figures in economics, literature and politics. What has stood out is the importance of collaboration; while outstanding individuals have always shone, Cambridge has consistently achieved where experts have come together to bounce their ideas off each other. Key figures like Max Perutz, Alan Hodgkin and Fred Sanger have not only won their own Nobels, but are regularly cited by future winners as their inspiration, as their students went on to push at the boundaries they established. In the final part of our feature we cover the last 20 years, when Cambridge has won an average of a Nobel Prize a year, and shows no sign of slowing down, with ground-breaking research still taking place in our midst today. The Gender Pay Gap Sale! Shop Online to get 13.9% off From 8 - 11 March, get 13.9% off 1,000s of items, it highlights the pay gap between men & women in the UK. Shop the Gender Pay Gap Sale – now. Promoted by Oxfam 1.1996 James Mirrlees, Trinity College: Prize in Economics, for studying behaviour in the absence of complete information As a schoolboy in Galloway, Scotland, Mirrlees was in line for a Cambridge scholarship, but was forced to change his plans when on the weekend of his interview he was rushed to hospital with peritonitis.
    [Show full text]
  • Martin Karplus &LISTING RELEASE IMMEDIATE for 7:30 PM PM 7:30 SEP 24 52 East 11 Cultural New Forum Austrian York SEP 25 1953 Photographs MARTIN KARPLUS Exhib
    FOR IMMEDIATE RELEASE & LISTING Exhibition: MARTIN KARPLUS Photographs 1953 – 2009 SEP 25 – NOV 28, 2014 Austrian Cultural Forum New York 11 East 52nd Street, New York SEP 24 | EXHIBITION OPENING 7:30 PM – 9PM (no RSVP req'd) Self Portrait of Martin Karplus, Marineland of the pacific, California, USA 1956 Martin Karplus is a chemist, Professor emeritus at Harvard University, and Nobel laureate who has spent the past treet treet york| new | ny 10022 | phone:(212) 319 5300 | (212) fax: 644 8660 [email protected] | | www.acfny.org fifty years consumed by a passion for documenting humanity in thousands of photographs. Sourced from Europe, s Asia, and the Americas, these photographs candidly capture societies at pivotal moments in their cultural and nd economic development in rich Kodachrome color. From September 25 through November 28, the Austrian Cultural Forum New York will present these works in his first ever New York retrospective, Martin Karplus | Photographs 1953- 2009. In 1953, nearing the completion of his PhD at Cal Tech, the Austrian-born, American Karplus received his uncle’s Leica camera as a gift from his parents and headed to Oxford University on a fellowship. In the ensuing years he austriancultural forum | east 11 52 would spend months on end exploring the globe, documenting what he describes in his artist statement as a “vision of a world, much of which no longer exists”. Images from the Netherlands, Denmark, Greece, Italy, France, Yugoslavia, and Germany present the closure of a bygone lifestyle as societies modernized and rebuilt in the wake of World War II and the dawning of the Cold War.
    [Show full text]
  • Nfap Policy Brief » October 2019
    NATIONAL FOUNDATION FOR AMERICAN POLICY NFAP POLICY BRIEF» OCTOBER 2019 IMMIGRANTS AND NOBEL PRIZES : 1901- 2019 EXECUTIVE SUMMARY Immigrants have been awarded 38%, or 36 of 95, of the Nobel Prizes won by Americans in Chemistry, Medicine and Physics since 2000.1 In 2019, the U.S. winner of the Nobel Prize in Physics (James Peebles) and one of the two American winners of the Nobel Prize in Chemistry (M. Stanley Whittingham) were immigrants to the United States. This showing by immigrants in 2019 is consistent with recent history and illustrates the contributions of immigrants to America. In 2018, Gérard Mourou, an immigrant from France, won the Nobel Prize in Physics. In 2017, the sole American winner of the Nobel Prize in Chemistry was an immigrant, Joachim Frank, a Columbia University professor born in Germany. Immigrant Rainer Weiss, who was born in Germany and came to the United States as a teenager, was awarded the 2017 Nobel Prize in Physics, sharing it with two other Americans, Kip S. Thorne and Barry C. Barish. In 2016, all 6 American winners of the Nobel Prize in economics and scientific fields were immigrants. Table 1 U.S. Nobel Prize Winners in Chemistry, Medicine and Physics: 2000-2019 Category Immigrant Native-Born Percentage of Immigrant Winners Physics 14 19 42% Chemistry 12 21 36% Medicine 10 19 35% TOTAL 36 59 38% Source: National Foundation for American Policy, Royal Swedish Academy of Sciences, George Mason University Institute for Immigration Research. Between 1901 and 2019, immigrants have been awarded 35%, or 105 of 302, of the Nobel Prizes won by Americans in Chemistry, Medicine and Physics.
    [Show full text]
  • Seunghyun Sim Bas Van Genabeek Takuzo Aida Bert Meijer
    In association with NASA Takuzo Aida December 10, 2019 Seunghyun Sim Bas van Genabeek Bert Meijer Tokyo University Caltech SyMO-Chem Eindhoven University . cmeacs.org In association with NASA ACS GLOBAL OUTSTANDING GRADUATE STUDENT & MENTOR AWARDS IN POLYMER SCIENCE AND ENGINEERING SPONSORED BY CME Seunghyun Sim Bas van Genabeek Postdoc Researcher Caltech SyMO-Chem Takuzo Aida Bert Meijer Prof. Tokyo University Distinguished Professor Riken Group Director Eindhoven University . December 10, 2019 cmeacs.org In association with NASA 2:00 pm – Awards Presentation and Talk on Engineering self-assembly of protein polymers for functional materials. Seunghyun Sim – Proteins are monodisperse polymers that fold into a specific nanoscale structure. These state-of-art nanoscale machineries exert highly precise mechanical motions and process environmental inputs by the combination of allosteric effects. My research focuses on finding interdisciplinary solutions for designing a library of functional protein materials, mainly from the principles in supramolecular chemistry, molecular biology, and polymer science. In this symposium, I will discuss the design of protein-based macromolecular architectures in multiple dimensions, understanding their property for the therapeutic application, and in situ synthesis of extracellular protein network by living organisms for generating engineered living materials. Profile – Seunghyun Sim graduated from Seoul National University with B.S. degrees in Chemistry and Biological Sciences in 2012. She conducted her doctoral research with professor Takuzo Aida at the University of Tokyo and received her M.Eng. and Ph.D. in 2017. Her thesis work focused on engineering protein-based supramolecular nanostructures and functions. She is currently a postdoctoral fellow at California Institute of Technology in the lab of professor David Tirrell.
    [Show full text]
  • Modeling Atomic Structure of the Emre Multidrug Pump to Design Inhibitor Peptides
    PI: Karplus, Martin Title: Modeling atomic structure of the EmrE multidrug pump to design inhibitor peptides Received: 06/14/2013 FOA: PA11-262 Council: 01/2014 Competition ID: ADOBE-FORMS-B2 FOA Title: NIH SMALL RESEARCH GRANT PROGRAM (PARENT R03) 1 R03 AI111416-01 Dual: Accession Number: 3599020 IPF: 3212901 Organization: HARVARD UNIVERSITY Former Number: Department: Chemistry and Chemical Biology IRG/SRG: ZRG1 MSFD-N (08)F AIDS: N Expedited: N Subtotal Direct Costs Animals: N New Investigator: N (excludes consortium F&A) Humans: N Early Stage Investigator: N Year 1: Clinical Trial: N Year 2: Current HS Code: 10 HESC: N Senior/Key Personnel: Organization: Role Category: Martin Karplus Ph.D. Harvard University PD/PI Victor Ovchinnikov Ph.D Harvard University Co-Investigator Always follow your funding opportunity's instructions for application format. Although this application demonstrates good grantsmanship, time has passed since the grantee applied. The sample may not reflect the latest format or rules. NIAID posts new samples periodically: https://www.niaid.nih.gov/grants-contracts/sample-applications The text of the application is copyrighted. You may use it only for nonprofit educational purposes provided the document remains unchanged and the PI, the grantee organization, and NIAID are credited. Note on Section 508 conformance and accessibility: We have reformatted these samples to improve accessibility for people with disabilities and users of assistive technology. If you have trouble accessing the content, please contact the NIAID Office of Knowledge and Educational Resources at [email protected]. Principal Investigator/Program Director (Last, first, middle): Karplus, Martin Specific Aims Many aromatic compounds are used as antibiotic, antiseptic, and antineoplastic agents in the control of pathogens.
    [Show full text]
  • PDF File, 2.06 MB
    Introduction Have you ever seen those little About the International Year of Crystallography pictures of a molecule of your The United Nations declares 2014 as the official International Year of prescribed medication? …or a drawing Crystallography. It commemorates not only the centennial of X-ray of DNA showing two strands winding Amoxicillin diffraction, which allowed the detailed study of crystalline material, but also the 400th anniversary of Kepler’s observation in 1611 of the What do around each other? symmetrical form of ice crystals, which began the wider study of the role Molecules are too small to be seen by of symmetry in matter. New Drug Design, normal microscopy. Learn more at http://iycr2014.org X-ray crystallography is one of the DNA Studies few techniques that can visualize them About IUCr The International Union of Crystallography is a not-for- and was used to determine the first Schematic picture profit, scientific organization that aims to: and molecular structures ever known. of DNA • promote international cooperation in crystallography • contribute to all aspects of crystallography X-rays X-rays & X-ray Crystallography • promote international publication of crystallographic research have in common? How They Work • facilitate standardization of methods, units, nomenclatures and symbols • form a focus for the relations of crystallography to other sciences • X-ray beams are shot through • We calculate how the diffracted a crystal composed of the X-rays would look, if they The IUCr fulfils these objectives by publishing
    [Show full text]