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  • Organic Chemistry  (11)
  • Surface physics, nanoscale physics, low-dimensional systems  (8)
  • Catalysis  (4)
  • 11
    Electronic Resource
    Electronic Resource
    Diels-Alder-Reaktionen mit 3-Acetyl-4-oxazolin-2-on (1977)
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1977 (1977), S. 2027-2035 
    Details
    ISSN: 0075-4617
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Diels-Alder Reactions with 3-Acetyl-4-oxazolin-2-one3-Acetyl-4-oxazolin-2-one (4) is a new component for thermal [2 + 4]-cycloadditions. 4 reacts selctively with cyclic 1,3-dienes with formation of the endo-isomers. The cycloadducts can be deacetylated to the corresponding oxazolidin-2-one derivatives or further hydrolyzed to the cis-2-aminoalcohols. In the additions to 1,3-cyclohexadiene, 4 and the structurally related compounds vinylene carbonate and 1,3-diacetyl-4-imidazolin-2-one exhibit comparable dienophilic reactivity.
    Notes: 3-Acetyl-4-oxazolin-2-on (4) ist ein neuer Partner für thermische [2 + 4]-Cycloadditionen. Mit cyclischen 1,3-Dienen reagiert 4 selektiv unter Bildung der endo-Isomeren. Die Cycloaddukte lassen sich zu den entsprechenden oxazolidin-2-on-Derivaten entacetylieren oder weiter zu den cis-2-Aminoalkoholen hydrolysieren. Bei der Addition an 1,3-Cyclohexadien sind 4 und die strukturell verwandten Verbindungen Vinylencarbonat sowie 1,3-Diacetyl-4-imidazolin-2-on vergleichbar reaktive Dienophile.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jlac.197719771123
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  • 12
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    Raman spectroscopy of intercalated and misfit layer nanotubes (2016)
    American Physical Society (APS)
    Details
    Publication Date: 2016-07-19
    Description: Author(s): Matthias Staiger, Vladimir Bačić, Roland Gillen, Gal Radovsky, Konstantin Gartsman, Reshef Tenne, Thomas Heine, Janina Maultzsch, and Christian Thomsen We present Raman spectra of misfit layer ( PbS ) 1.14 NbS 2 nanotubes and lead intercalated NbS 2 nanotubes. They represent interesting model systems to investigate the nature of interlayer interaction in layered materials. A direct correlation to the Raman modes of the parent 2 H − NbS 2 compound exists, but… [Phys. Rev. B 94, 035430] Published Mon Jul 18, 2016
    Keywords: Surface physics, nanoscale physics, low-dimensional systems
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
    Published by American Physical Society (APS)
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  • 13
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    Quantum spin Hall effect and topological phase transition in two-dimensional square transition-metal dichalcogenides (2015)
    American Physical Society (APS)
    Details
    Publication Date: 2015-08-26
    Description: Author(s): Yandong Ma, Liangzhi Kou, Xiao Li, Ying Dai, Sean C. Smith, and Thomas Heine Two-dimensional (2D) topological insulators (TIs) hold promise for applications in spintronics based on the fact that the propagation direction of an edge electronic state of a 2D TI is locked to its spin orientation. Here, using first-principles calculations, we predict a family of robust 2D TIs in… [Phys. Rev. B 92, 085427] Published Tue Aug 25, 2015
    Keywords: Surface physics, nanoscale physics, low-dimensional systems
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
    Published by American Physical Society (APS)
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  • 14
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    Two-dimensional topological insulators in group-11 chalcogenide compounds: M_{2} Te(M=Cu,Ag) (2016)
    American Physical Society (APS)
    Details
    Publication Date: 2016-06-30
    Description: Author(s): Yandong Ma, Liangzhi Kou, Ying Dai, and Thomas Heine Two-dimensional (2D) topological insulators (TIs) are recently recognized states of quantum matter that are highly interesting for lower-power-consuming electronic devices owing to their nondissipative transport properties protected from backscattering. So far, only few 2D TIs, suffering from small … [Phys. Rev. B 93, 235451] Published Wed Jun 29, 2016
    Keywords: Surface physics, nanoscale physics, low-dimensional systems
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
    Published by American Physical Society (APS)
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  • 15
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    Two-dimensional transition metal dichalcogenides with a hexagonal lattice: Room-temperature quantum spin Hall insulators (2016)
    American Physical Society (APS)
    Details
    Publication Date: 2016-01-23
    Description: Author(s): Yandong Ma, Liangzhi Kou, Xiao Li, Ying Dai, and Thomas Heine So far, several transition metal dichalcogenide (TMDC)–based two-dimensional (2D) topological insulators (TIs) have been discovered, all of them based on a tetragonal lattice. However, in 2D crystals, the hexagonal rather than the tetragonal symmetry is the most common motif. Here, based on first pr… [Phys. Rev. B 93, 035442] Published Fri Jan 22, 2016
    Keywords: Surface physics, nanoscale physics, low-dimensional systems
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
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  • 16
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    Transition-metal dichalcogenide bilayers: Switching materials for spintronic and valleytronic applications (2014)
    American Physical Society (APS)
    Details
    Publication Date: 2014-09-23
    Description: Author(s): Nourdine Zibouche, Pier Philipsen, Agnieszka Kuc, and Thomas Heine We report that an external electric field applied normal to bilayers of transition-metal dichalcogenides TX2 (T = Mo, W, X = S, Se) creates significant spin-orbit splittings and reduces the electronic band gap linearly with the field strength. Contrary to the TX2 monolayers, spin-orbit splittings an... [Phys. Rev. B 90, 125440] Published Mon Sep 22, 2014
    Keywords: Surface physics, nanoscale physics, low-dimensional systems
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
    Published by American Physical Society (APS)
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  • 17
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    Observation of covalent intermediates in an enzyme mechanism at atomic resolution (2001)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2001-10-13
    Description: In classical enzymology, intermediates and transition states in a catalytic mechanism are usually inferred from a series of biochemical experiments. Here, we derive an enzyme mechanism from true atomic-resolution x-ray structures of reaction intermediates. Two ultra-high resolution structures of wild-type and mutant d-2-deoxyribose-5-phosphate (DRP) aldolase complexes with DRP at 1.05 and 1.10 angstroms unambiguously identify the postulated covalent carbinolamine and Schiff base intermediates in the aldolase mechanism. In combination with site-directed mutagenesis and (1)H nuclear magnetic resonance, we can now propose how the heretofore elusive C-2 proton abstraction step and the overall stereochemical course are accomplished. A proton relay system appears to activate a conserved active-site water that functions as the critical mediator for proton transfer.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Heine, A -- DeSantis, G -- Luz, J G -- Mitchell, M -- Wong, C H -- Wilson, I A -- GM44154/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2001 Oct 12;294(5541):369-74.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Molecular Biology, Skaggs Institute for Chemical Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11598300" target="_blank"〉PubMed〈/a〉
    Keywords: Aldehyde-Lyases/*chemistry/genetics/*metabolism ; Amino Acid Substitution ; Binding Sites ; Catalysis ; Chemistry, Physical ; Crystallization ; Crystallography, X-Ray ; Escherichia coli/enzymology ; Hydrogen Bonding ; Hydrogen-Ion Concentration ; Ligands ; Lysine/chemistry ; Models, Chemical ; Mutagenesis, Site-Directed ; Mutation ; Nuclear Magnetic Resonance, Biomolecular ; Physicochemical Phenomena ; Protein Conformation ; Protein Folding ; Protein Structure, Tertiary ; Protons ; Ribosemonophosphates/*chemistry/*metabolism ; Schiff Bases ; Water
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 18
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    An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution (1998)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1998-04-16
    Description: A highly specific Diels-Alder protein catalyst was made by manipulating the antibody repertoire of the immune system. The catalytic antibody 13G5 catalyzes a disfavored exo Diels-Alder transformation in a reaction for which there is no natural enzyme counterpart and that yields a single regioisomer in high enantiomeric excess. The crystal structure of the antibody Fab in complex with a ferrocenyl inhibitor containing the essential haptenic core that elicited 13G5 was determined at 1.95 angstrom resolution. Three key antibody residues appear to be responsible for the observed catalysis and product control. Tyrosine-L36 acts as a Lewis acid activating the dienophile for nucleophilic attack, and asparagine-L91 and aspartic acid-H50 form hydrogen bonds to the carboxylate side chain that substitutes for the carbamate diene substrate. This hydrogen-bonding scheme leads to rate acceleration and also pronounced stereoselectivity. Docking experiments with the four possible ortho transition states of the reaction explain the specific exo effect and suggest that the (3R,4R)-exo stereoisomer is the preferred product.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Heine, A -- Stura, E A -- Yli-Kauhaluoma, J T -- Gao, C -- Deng, Q -- Beno, B R -- Houk, K N -- Janda, K D -- Wilson, I A -- CA27489/CA/NCI NIH HHS/ -- GM-43858/GM/NIGMS NIH HHS/ -- P01 CA27489/CA/NCI NIH HHS/ -- etc. -- New York, N.Y. -- Science. 1998 Mar 20;279(5358):1934-40.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉The Skaggs Institute of Chemical Biology, Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/9506943" target="_blank"〉PubMed〈/a〉
    Keywords: Antibodies, Catalytic/*chemistry/immunology/metabolism ; Catalysis ; Chemistry, Organic ; Crystallography, X-Ray ; Ferrous Compounds/*chemistry/immunology/metabolism ; Haptens/chemistry/immunology ; Hydrogen Bonding ; Hydrogen-Ion Concentration ; Immunoglobulin Fab Fragments/chemistry ; Models, Molecular ; Organic Chemistry Phenomena ; Stereoisomerism ; Thermodynamics
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 19
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    Two-dimensional ferroelastic topological insulators in single-layer Janus transition metal dichalcogenides $M\mathrm{SSe}(M=\mathrm{Mo},\mathrm{W})$ (2018)
    American Physical Society (APS)
    Details
    Publication Date: 2018-08-15
    Description: Author(s): Yandong Ma, Liangzhi Kou, Baibiao Huang, Ying Dai, and Thomas Heine Two-dimensional topological insulators and two-dimensional materials with ferroelastic characteristics are intriguing materials and many examples have been reported both experimentally and theoretically. Here, we present the combination of both features—a two-dimensional ferroelastic topological ins... [Phys. Rev. B 98, 085420] Published Tue Aug 14, 2018
    Keywords: Surface physics, nanoscale physics, low-dimensional systems
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
    Published by American Physical Society (APS)
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  • 20
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    Immune versus natural selection: antibody aldolases with enzymic rates but broader scope (1998)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1998-02-12
    Description: Structural and mechanistic studies show that when the selection criteria of the immune system are changed, catalytic antibodies that have the efficiency of natural enzymes evolve, but the catalytic antibodies are much more accepting of a wide range of substrates. The catalytic antibodies were prepared by reactive immunization, a process whereby the selection criteria of the immune system are changed from simple binding to chemical reactivity. This process yielded aldolase catalytic antibodies that approximated the rate acceleration of the natural enzyme used in glycolysis. Unlike the natural enzyme, however, the antibody aldolases catalyzed a variety of aldol reactions and decarboxylations. The crystal structure of one of these antibodies identified the reactive lysine residue that was selected in the immunization process. This lysine is deeply buried in a hydrophobic pocket at the base of the binding site, thereby accounting for its perturbed pKa.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Barbas, C F 3rd -- Heine, A -- Zhong, G -- Hoffmann, T -- Gramatikova, S -- Bjornestedt, R -- List, B -- Anderson, J -- Stura, E A -- Wilson, I A -- Lerner, R A -- CA27489/CA/NCI NIH HHS/ -- New York, N.Y. -- Science. 1997 Dec 19;278(5346):2085-92.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉The Skaggs Institute for Chemical Biology and the Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/9405338" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Antibodies, Catalytic/chemistry/immunology/*metabolism ; Binding Sites ; Catalysis ; Crystallography, X-Ray ; Decarboxylation ; *Evolution, Molecular ; Fructose-Bisphosphate Aldolase/chemistry/immunology/*metabolism ; Glycolysis ; Hydrogen-Ion Concentration ; Immunization ; Immunoglobulin Fab Fragments/chemistry/immunology/*metabolism ; Kinetics ; Lysine/chemistry/metabolism ; Mice ; Models, Molecular ; Protein Conformation ; Pyridoxal/metabolism ; Selection, Genetic ; Substrate Specificity
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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