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  • 1
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    Phonon anharmonicity and negative thermal expansion in SnSe (2016)
    American Physical Society (APS)
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    Publication Date: 2016-08-11
    Description: Author(s): Dipanshu Bansal, Jiawang Hong, Chen W. Li, Andrew F. May, Wallace Porter, Michael Y. Hu, Douglas L. Abernathy, and Olivier Delaire The anharmonic phonon properties of SnSe in the P n m a phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of st… [Phys. Rev. B 94, 054307] Published Tue Aug 09, 2016
    Keywords: Dynamics, dynamical systems, lattice effects
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
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  • 2
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    Moments in nuclear resonant inelastic x-ray scattering and their applications (2013)
    American Physical Society (APS)
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    Publication Date: 2013-02-09
    Description: Author(s): Michael Y. Hu, Thomas S. Toellner, Nicolas Dauphas, E. Ercan Alp, and Jiyong Zhao Sum rules of the moments of the nuclear resonant inelastic x-ray scattering (NRIXS) spectrum provide means of data analysis and information on atomic dynamics. We extend existing work by calculating the third and fourth moment beyond the harmonic approximation and show that NRIXS can provide a direc... [Phys. Rev. B 87, 064301] Published Fri Feb 08, 2013
    Keywords: Dynamics, dynamical systems, lattice effects
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
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  • 3
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    Vibrational dynamics of the host framework in Sn clathrates (2014)
    American Physical Society (APS)
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    Publication Date: 2014-09-17
    Description: Author(s): Bogdan M. Leu, Mihai Sturza, Michael Y. Hu, David Gosztola, Volodymyr Baran, Thomas F. Fässler, and E. Ercan Alp We use nuclear resonance inelastic x-ray scattering (NRIXS), a relatively new, synchrotron-based, isotope-specific technique in combination with a more traditional one, Raman spectroscopy, to probe the vibrational dynamics of the host frameworks in two Zintl clathrates: K8Zn4Sn42 (KZS) and Ba8Ga16Sn... [Phys. Rev. B 90, 104304] Published Tue Sep 16, 2014
    Keywords: Dynamics, dynamical systems, lattice effects
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
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  • 4
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    X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor (2011)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2011-11-19
    Description: Nitrogenase is a complex enzyme that catalyzes the reduction of dinitrogen to ammonia. Despite insight from structural and biochemical studies, its structure and mechanism await full characterization. An iron-molybdenum cofactor (FeMoco) is thought to be the site of dinitrogen reduction, but the identity of a central atom in this cofactor remains unknown. Fe Kbeta x-ray emission spectroscopy (XES) of intact nitrogenase MoFe protein, isolated FeMoco, and the FeMoco-deficient nifB protein indicates that among the candidate atoms oxygen, nitrogen, and carbon, it is carbon that best fits the XES data. The experimental XES is supported by computational efforts, which show that oxidation and spin states do not affect the assignment of the central atom to C(4-). Identification of the central atom will drive further studies on its role in catalysis.〈br /〉〈br /〉〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3800678/" target="_blank"〉〈img src="https://static.pubmed.gov/portal/portal3rc.fcgi/4089621/img/3977009" border="0"〉〈/a〉   〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3800678/" target="_blank"〉This paper as free author manuscript - peer-reviewed and accepted for publication〈/a〉〈br /〉〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Lancaster, Kyle M -- Roemelt, Michael -- Ettenhuber, Patrick -- Hu, Yilin -- Ribbe, Markus W -- Neese, Frank -- Bergmann, Uwe -- DeBeer, Serena -- R01 GM067626/GM/NIGMS NIH HHS/ -- R01-GM 67626/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2011 Nov 18;334(6058):974-7. doi: 10.1126/science.1206445.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/22096198" target="_blank"〉PubMed〈/a〉
    Keywords: Azotobacter vinelandii/chemistry ; Biocatalysis ; Carbon/*chemistry ; Ligands ; Models, Molecular ; Molecular Structure ; Molybdoferredoxin/*chemistry/metabolism ; Nitrogen/chemistry ; Oxidation-Reduction ; Oxygen/chemistry ; Spectrometry, X-Ray Emission
    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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  • 5
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    Vanadium nitrogenase reduces CO (2010)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2010-08-07
    Description: Vanadium nitrogenase not only reduces dinitrogen to ammonia but also reduces carbon monoxide to ethylene, ethane, and propane. The parallelism between the two reactions suggests a potential link in mechanism and evolution between the carbon and nitrogen cycles on Earth.〈br /〉〈br /〉〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3141295/" target="_blank"〉〈img src="https://static.pubmed.gov/portal/portal3rc.fcgi/4089621/img/3977009" border="0"〉〈/a〉   〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3141295/" target="_blank"〉This paper as free author manuscript - peer-reviewed and accepted for publication〈/a〉〈br /〉〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Lee, Chi Chung -- Hu, Yilin -- Ribbe, Markus W -- GM-67626/GM/NIGMS NIH HHS/ -- R01 GM067626/GM/NIGMS NIH HHS/ -- R01 GM067626-08/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2010 Aug 6;329(5992):642. doi: 10.1126/science.1191455.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Molecular Biology and Biochemistry, University of California, Irvine, CA 92697-3900, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/20689010" target="_blank"〉PubMed〈/a〉
    Keywords: Adenosine Triphosphate/metabolism ; Azotobacter vinelandii/*enzymology/genetics ; Biocatalysis ; Carbon Monoxide/*metabolism ; Ethane/metabolism ; Ethylenes/metabolism ; Evolution, Molecular ; Genes, Bacterial ; Hydrogen/metabolism ; Nitrogen/metabolism ; Nitrogenase/*metabolism ; Oxidation-Reduction ; Propane/metabolism
    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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  • 6
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    Extending the carbon chain: hydrocarbon formation catalyzed by vanadium/molybdenum nitrogenases (2011)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2011-08-06
    Description: In a small-scale reaction, vanadium-dependent nitrogenase has previously been shown to catalyze reductive catenation of carbon monoxide (CO) to ethylene, ethane, propylene, and propane. Here, we report the identification of additional hydrocarbon products [alpha-butylene, n-butane, and methane (CH(4))] in a scaled-up reaction featuring 20 milligrams of vanadium-iron protein, the catalytic component of vanadium nitrogenase. Additionally, we show that the more common molybdenum-dependent nitrogenase can generate the same hydrocarbons from CO, although CH(4) was not detected. The identification of CO as a substrate for both molybdenum- and vanadium-nitrogenases strengthens the hypothesis that CO reduction is an evolutionary relic of the function of the nitrogenase family. Moreover, the comparison between the CO-reducing capacities of the two nitrogenases suggests that the identity of heterometal at the active cofactor site affects the efficiency and product distribution of this reaction.〈br /〉〈br /〉〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3153399/" target="_blank"〉〈img src="https://static.pubmed.gov/portal/portal3rc.fcgi/4089621/img/3977009" border="0"〉〈/a〉   〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3153399/" target="_blank"〉This paper as free author manuscript - peer-reviewed and accepted for publication〈/a〉〈br /〉〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Hu, Yilin -- Lee, Chi Chung -- Ribbe, Markus W -- GM 67626/GM/NIGMS NIH HHS/ -- R01 GM067626/GM/NIGMS NIH HHS/ -- R01 GM067626-08/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2011 Aug 5;333(6043):753-5. doi: 10.1126/science.1206883.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Molecular Biology and Biochemistry, University of California, Irvine, CA 92697-3900, USA. yilinh@uci.edu〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/21817053" target="_blank"〉PubMed〈/a〉
    Keywords: Azotobacter vinelandii ; Biocatalysis ; Carbon Monoxide/*metabolism ; Deuterium ; Ethylenes/metabolism ; Hydrocarbons/*metabolism ; Methane/metabolism ; Molybdenum ; Nitrogenase/chemistry/*metabolism ; Oxidation-Reduction ; Substrate Specificity ; Vanadium
    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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  • 7
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    Influence of interfaces on the phonon density of states of nanoscale metallic multilayers: Phonon confinement and localization (2018)
    American Physical Society (APS)
    Details
    Publication Date: 2018-07-21
    Description: Author(s): W. Keune, Sampyo Hong, M. Y. Hu, J. Zhao, T. S. Toellner, E. E. Alp, W. Sturhahn, T. S. Rahman, and B. Roldan Cuenya Isotope-selective Fe 57 nuclear resonant inelastic x-ray scattering (NRIXS) measurements and atomic-layer resolved density functional theory (DFT) calculations were used to investigate the effect of interfaces on the vibrational (phonon) density of states (VDOS) of (001)-oriented nanoscale Fe/Ag and ... [Phys. Rev. B 98, 024308] Published Fri Jul 20, 2018
    Keywords: Dynamics, dynamical systems, lattice effects
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
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