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  • 1
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    Charge neutrality in epitaxial graphene on 6H-SiC(0001) via nitrogen intercalation (2015)
    American Physical Society (APS)
    Details
    Publication Date: 2015-08-22
    Description: Author(s): Nuala M. Caffrey, Rickard Armiento, Rositsa Yakimova, and Igor A. Abrikosov The electronic properties of epitaxial graphene grown on SiC(0001) are known to be impaired relative to those of freestanding graphene. This is due to the formation of a carbon buffer layer between the graphene layers and the substrate, which causes the graphene layers to become strongly n -doped. Ch… [Phys. Rev. B 92, 081409(R)] Published Fri Aug 21, 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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  • 2
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    Atomic-scale inversion of spin polarization at an organic-antiferromagnetic interface (2013)
    American Physical Society (APS)
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    Publication Date: 2013-10-05
    Description: Author(s): Nuala M. Caffrey, Paolo Ferriani, Simone Marocchi, and Stefan Heinze Using first-principles calculations, we show that the magnetic properties of a two-dimensional antiferromagnetic transition-metal surface are modified on the atomic scale by the adsorption of small organic molecules. We consider benzene (C 6 H 6 ), cyclooctatetraene (C 8 H 8 ), and a small transition-metal–... [Phys. Rev. B 88, 155403] Published Fri Oct 04, 2013
    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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  • 3
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    First-principles calculations of properties of orthorhombic iron carbide Fe_{7} C_{3} at the Earth's core conditions (2015)
    American Physical Society (APS)
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    Publication Date: 2015-06-27
    Description: Author(s): Zamaan Raza, Nina Shulumba, Nuala M. Caffrey, Leonid Dubrovinsky, and Igor A. Abrikosov A recently discovered phase of orthorhombic iron carbide o- Fe 7 C 3 [Prescher et al. , Nat. Geosci. 8 , 220 (2015) ] is assessed as a potentially important phase for interpretation of the properties of the Earth's core. In this paper, we carry out first-principles calculations on o- Fe 7 C 3 , finding properti… [Phys. Rev. B 91, 214112] Published Wed Jun 24, 2015
    Keywords: Structure, structural phase transitions, mechanical properties, defects
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
    Published by American Physical Society (APS)
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  • 4
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    The QDREC web server: determining dose-response characteristics of complex macroparasites in phenotypic drug screens (2015)
    Oxford University Press
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    Publication Date: 2015-04-28
    Description: : Neglected tropical diseases (NTDs) caused by helminths constitute some of the most common infections of the world’s poorest people. The etiological agents are complex and recalcitrant to standard techniques of molecular biology. Drug screening against helminths has often been phenotypic and typically involves manual description of drug effect and efficacy. A key challenge is to develop automated, quantitative approaches to drug screening against helminth diseases. The quantal dose–response calculator (QDREC) constitutes a significant step in this direction. It can be used to automatically determine quantitative dose–response characteristics and half-maximal effective concentration (EC 50 ) values using image-based readouts from phenotypic screens, thereby allowing rigorous comparisons of the efficacies of drug compounds. QDREC has been developed and validated in the context of drug screening for schistosomiasis, one of the most important NTDs. However, it is equally applicable to general phenotypic screening involving helminths and other complex parasites. Availability and implementation: QDREC is publically available at: http://haddock4.sfsu.edu/qdrec2/ . Source code and datasets are at: http://tintin.sfsu.edu/projects/phenotypicAssays.html . Contact: rahul@sfsu.edu . Supplementary information: Supplementary data are available at Bioinformatics online.
    Print ISSN: 1367-4803
    Electronic ISSN: 1460-2059
    Topics: Biology , Computer Science , Medicine
    Published by Oxford University Press
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  • 5
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    Prediction of large bias-dependent magnetoresistance in all-oxide magnetic tunnel junctions with a ferroelectric barrier (2011)
    American Physical Society (APS)
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    Publication Date: 2011-03-18
    Description: Author(s): Nuala M. Caffrey, Thomas Archer, Ivan Rungger, and Stefano Sanvito All-oxide magnetic tunnel junctions (MTJs) incorporating functional materials as insulating barriers have the potential of becoming the founding technology for novel multifunctional devices. We investigate, by first-principles density functional theory, the bias-dependent transport properties of an ... [Phys. Rev. B 83, 125409] Published Thu Mar 17, 2011
    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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  • 6
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    Graphene-mediated exchange coupling between a molecular spin and magnetic substrates (2013)
    American Physical Society (APS)
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    Publication Date: 2013-10-09
    Description: Author(s): S. Marocchi, P. Ferriani, N. M. Caffrey, F. Manghi, S. Heinze, and V. Bellini Using first-principles calculations we demonstrate sizable exchange coupling between a magnetic molecule and a magnetic substrate via a graphene layer. As a model system we consider cobaltocene (CoCp 2 ) adsorbed on graphene deposited on Ni(111). We find that the magnetic coupling is antiferromagnetic... [Phys. Rev. B 88, 144407] Published Tue Oct 08, 2013
    Keywords: Magnetism
    Print ISSN: 1098-0121
    Electronic ISSN: 1095-3795
    Topics: Physics
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  • 7
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    Resonance-enhanced x-rays in thin films: a structure probe for membranes and surface layers (1992)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1992-10-30
    Description: An x-ray resonance effect in an organic thin film on an x-ray reflecting mirror is reported. The resonance effect is the result of interference between reflected and refracted x-rays at the air-organic thin film interface and occurs at incident angles slightly above the critical angle of the film. In excellent agreement with theory, the primary resonant x-ray electric field that is confined in the organic thin film is approximately 20 times as intense as the electric field of the incident beam when measured at a position close to the center of the film. Resonance-enhanced x-rays can be used to characterize the internal structure of Langmuir-Blodgett thin film membranes. This effect may also find use in x-ray-based thin film devices and in the structural analysis of adlayers and surfaces that have thus far proved difficult, if not impossible, to study because of sensitivity limitations.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Wang, J -- Bedzyk, M J -- Caffrey, M -- DK 36849/DK/NIDDK NIH HHS/ -- DK 45295/DK/NIDDK NIH HHS/ -- New York, N.Y. -- Science. 1992 Oct 30;258(5083):775-8.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry, Ohio State University, Columbus 43210.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/1439784" target="_blank"〉PubMed〈/a〉
    Keywords: *Electron Probe Microanalysis ; Fluorescence ; *Membranes, Artificial ; Surface Properties ; X-Rays ; Zinc
    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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  • 8
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    Diffuse-double layer at a membrane-aqueous interface measured with x-ray standing waves (1990)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1990-04-06
    Description: The ion distribution in an electrolyte solution in contact with a charged polymerized phospholipid membrane was directly measured with long-period x-ray standing waves. The 27-angstrom-thick lipid monolayer was supported on a tungsten/silicon mirror. X-ray standing waves were generated above the mirror surface by total external reflection of a 9.8-kiloelectron volt x-ray beam from a synchrotron undulator. The membrane surface, which contained negatively charged phosphate headgroups, was bathed in a dilute ZnCl2 solution. The concentration of Zn2+ in the condensed layer at the membrane surface and the Zn2+ distribution in the diffuse layer were measured as a function of headgroup charge. The Debye length of the diffuse layer varied between 3 and 58 angstroms. The results qualitatively agree with the Gouy-Chapman-Stern model.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Bedzyk, M J -- Bommarito, G M -- Caffrey, M -- Penner, T L -- DK-36849/DK/NIDDK NIH HHS/ -- New York, N.Y. -- Science. 1990 Apr 6;248(4951):52-6.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Cornell High Energy Synchrotron Source, Cornell University, Ithaca, NY 14853.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/2321026" target="_blank"〉PubMed〈/a〉
    Keywords: Chemistry, Physical ; *Electrochemistry ; Electrolytes ; Hydrogen-Ion Concentration ; *Membranes, Artificial ; Particle Accelerators ; Phospholipids ; Physicochemical Phenomena ; Polymers ; Solutions ; Water ; X-Rays ; Zinc/analysis
    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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  • 9
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    Structural and electronic properties of Li-intercalated graphene on SiC(0001) (2016)
    American Physical Society (APS)
    Details
    Publication Date: 2016-05-17
    Description: Author(s): Nuala M. Caffrey, Leif I. Johansson, Chao Xia, Rickard Armiento, Igor A. Abrikosov, and Chariya Jacobi We investigate the structural and electronic properties of Li-intercalated monolayer graphene on SiC(0001) using combined angle-resolved photoemission spectroscopy and first-principles density functional theory. Li intercalates at room temperature both at the interface between the buffer layer and S… [Phys. Rev. B 93, 195421] Published Mon May 16, 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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  • 10
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    Structural insights into electron transfer in caa3-type cytochrome oxidase (2012)
    Nature Publishing Group (NPG)
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    Publication Date: 2012-07-06
    Description: Cytochrome c oxidase is a member of the haem copper oxidase superfamily (HCO). HCOs function as the terminal enzymes in the respiratory chain of mitochondria and aerobic prokaryotes, coupling molecular oxygen reduction to transmembrane proton pumping. Integral to the enzyme's function is the transfer of electrons from cytochrome c to the oxidase via a transient association of the two proteins. Electron entry and exit are proposed to occur from the same site on cytochrome c. Here we report the crystal structure of the caa3-type cytochrome oxidase from Thermus thermophilus, which has a covalently tethered cytochrome c domain. Crystals were grown in a bicontinuous mesophase using a synthetic short-chain monoacylglycerol as the hosting lipid. From the electron density map, at 2.36 A resolution, a novel integral membrane subunit and a native glycoglycerophospholipid embedded in the complex were identified. Contrary to previous electron transfer mechanisms observed for soluble cytochrome c, the structure reveals the architecture of the electron transfer complex for the fused cupredoxin/cytochrome c domain, which implicates different sites on cytochrome c for electron entry and exit. Support for an alternative to the classical proton gate characteristic of this HCO class is presented.〈br /〉〈br /〉〈a href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3428721/" 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/PMC3428721/" target="_blank"〉This paper as free author manuscript - peer-reviewed and accepted for publication〈/a〉〈br /〉〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Lyons, Joseph A -- Aragao, David -- Slattery, Orla -- Pisliakov, Andrei V -- Soulimane, Tewfik -- Caffrey, Martin -- GM75915/GM/NIGMS NIH HHS/ -- P50 GM073210/GM/NIGMS NIH HHS/ -- P50GM073210/GM/NIGMS NIH HHS/ -- R01 GM061070/GM/NIGMS NIH HHS/ -- R01 GM075915/GM/NIGMS NIH HHS/ -- U54 GM094599/GM/NIGMS NIH HHS/ -- U54GM094599/GM/NIGMS NIH HHS/ -- England -- Nature. 2012 Jul 26;487(7408):514-8. doi: 10.1038/nature11182.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemical and Environmental Sciences, University of Limerick, Limerick, Ireland.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/22763450" target="_blank"〉PubMed〈/a〉
    Keywords: Azurin/metabolism ; Catalytic Domain ; Cell Membrane/metabolism ; Crystallization ; Crystallography, X-Ray ; Cytochrome c Group/*metabolism ; Cytochromes a/*metabolism ; Cytochromes a3/*metabolism ; Electron Transport ; Electron Transport Complex IV/*chemistry/*metabolism ; Electrons ; Glycerophospholipids/chemistry/metabolism ; Models, Molecular ; Oxygen/metabolism ; Protein Structure, Tertiary ; Protein Subunits/chemistry/metabolism ; Protons ; Thermus thermophilus/*enzymology ; Water/chemistry/metabolism
    Print ISSN: 0028-0836
    Electronic ISSN: 1476-4687
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Published by Nature Publishing Group (NPG)
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