Download or read book Towards High Throughput Single Crystal Neutron Diffraction of Hydrogen Bonded Molecular Complexes written by Andrew Jones and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This work presents findings from experiments carried out using the neutron Laue method in tandem with laboratory source X-ray diffraction to characterise a series of organic molecular complexes which exhibit interesting, and potentially "tunable", temperature dependent charge transfer effects, such as proton migration and proton disorder within hydrogen bonded networks. These subtle processes are studied by variable temperature neutron diffraction studies, allowing the positional and anisotropic displacement parameters of the hydrogen atoms to be refined accurately and their evolution with temperature followed. The hydrogen atom behaviour is found to be influenced by the local environment, including weak intermolecular interactions in the vicinity of the hydrogen bond under study. Complexes of urea and methyl substituted ureas with small organic acids are presented, which show robust and reproducible structural motifs. In favourable circumstances, these contain short, strong hydrogen bonds (SSHBs) within which the proton may undergo temperature dependent migration. By synthesising a number of complexes containing SSHBs, potential routes to the design of proton migration complexes are found, which utilise crystal engineering principles and pKa matching. Variable temperature studies conducted on these complexes also show unusual thermal expansion properties and phase transitions in urea-acid complexes which do not display proton migration. Systems containing hydrogen bonded dimers of 3,5-dinitrobenzoic acid are also studied, and shown to contain temperature proton disorder within moderate strength hydrogen bonds linking the dimers. The presence and potential onset temperature of any disorder is found to be influenced by interactions around the acid dimers and potential routes to controlling proton disorder are discussed. Complexes of the proton sponge, 1,8-bis(dimethylamino)napthalene (DMAN), with organic acids are also presented, in which the structures have been determined using neutron diffraction. DMAN readily accepts a proton from the acid co-molecules used in forming the complexes, forming a strong intramolecular SSHB within the protonated DMAN. Strong intermolecular hydrogen bonds are also induced between the acid molecules in many cases. The neutron studies presented here investigate the effect of weak interactions on the behaviour of hydrogen atoms located within these SSHBs, and also indicate over what distance such interactions significantly affect the hydrogen atom behaviour.
Download or read book Towards High Throughput Single Neutron Diffraction of Hydrogen Bonded Molecular Complexes written by Andrew Owen Fletcher Jones and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Single Crystal Neutron Diffraction From Molecular Materials written by Chick C Wilson and published by World Scientific Publishing Company. This book was released on 2000-02-18 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: This important book presents a comprehensive account of the techniques and applications of single crystal neutron diffraction in the area of chemical crystallography and molecular structure. Beginning with a brief description of the general principles and the reasons for choosing the technique — the “why” — the book covers the methods for both the production of neutrons and the measurement of their scattering by molecular crystals — the “how” — followed by a detailed survey of past, present and future applications — the “what”. The coverage of both steady state and pulsed neutron sources and instrumentation is extensive, while the survey of applications is the most comprehensive yet undertaken. The book endeavours to show why the technique is an essential method for studying areas as diverse as hydrogen bonding and weak interactions, organometallics, supramolecular chemistry and crystal engineering, metal hydrides, charge density and pharmaceuticals. It is an ideal reference source for the research worker interested in using neutron diffraction to study the structure of molecules.
Download or read book Structural Biology in Drug Discovery written by Jean-Paul Renaud and published by John Wiley & Sons. This book was released on 2020-01-09 with total page 1367 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins
Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Comprehensive Supramolecular Chemistry II written by George W. Gokel and published by Elsevier. This book was released on 2017-06-22 with total page 4627 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material. Contains content that begins with the basics before moving on to more complex concepts, making it suitable for advanced undergraduates as well as academic researchers Focuses on application of the theory in practice, with particular focus on areas that have gained increasing importance in the 21st century, including nanomedicine, nanotechnology and medicinal chemistry Fully rewritten to make a completely up-to-date reference work that covers all the major advances that have taken place since the First Edition published in 1996
Download or read book Energy Research Abstracts written by and published by . This book was released on 1990 with total page 834 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book X Ray and Neutron Diffraction written by G. E. Bacon and published by Elsevier. This book was released on 2013-09-03 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: X-Ray and Neutron Diffraction describes the developments of the X-ray and the various research done in neutron diffraction. Part I of the book concerns the principles and applications of the X-ray and neutrons through their origins from classical crystallography. The book explains the use of diffraction methods to show the highly regular arrangement of atoms that forms a continuous pattern in three-dimensional space. The text evaluates the limitations and benefits of using the different types of radiation sources, whether these are X-rays, neutrons, or electrons. Part II is a collection of reprints discussing the development of techniques that includes a modification of the Bragg method, which is a method of X-ray crystal analysis. One paper presents an improved numerical method of two-dimensional Fourier synthesis for crystals. This method uses a greatly reduced process of arrangement of sets of figures found in the two-dimensional Fourier series. The book also notes the theoretical considerations and the practical details, and then addresses precautions against possible inclusions of errors in this method. The text deals as well with the magnetic scattering of neutrons, and one paper presents a simple method of gathering information about the magnetic moment of the neutron besides the traditional Stern-Gerlach method. Nuclear scientists and physicists, atomic researchers, and nuclear engineers will greatly appreciate the book.
Download or read book Publications of the National Institute of Standards and Technology Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1983 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1977 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Publications of the National Bureau of Standards 1972 Catalog written by United States. National Bureau of Standards and published by . This book was released on 1973 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Catalog of National Bureau of Standards Publications 1966 1976 written by United States. National Bureau of Standards and published by . This book was released on 1978 with total page 1120 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Publications written by United States. National Bureau of Standards and published by . This book was released on 1969 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Catalog of National Bureau of Standards Publications 1966 1976 pt 1 2 Citations and abstracts v 2 pt 1 2 Key word index written by United States. National Bureau of Standards. Technical Information and Publications Division and published by . This book was released on 1978 with total page 1116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1969-05 with total page 872 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration. Technical Information Center and published by . This book was released on 1977 with total page 982 pages. Available in PDF, EPUB and Kindle. Book excerpt:
