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2010

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Articles 1201 - 1230 of 8621

Full-Text Articles in Physical Sciences and Mathematics

Doping Dependence Of Electronic And Mechanical Properties Of Gase1−XTeX And Ga1−XInXSe From First Principles, Zs. Rak, S. D. Mahanti, K. C. Mandal, N. C. Fernelius Oct 2010

Doping Dependence Of Electronic And Mechanical Properties Of Gase1−XTeX And Ga1−XInXSe From First Principles, Zs. Rak, S. D. Mahanti, K. C. Mandal, N. C. Fernelius

Faculty Publications

No abstract provided.


Extended Green-Liouville Asymptotics And Vacuum Polarization For Lukewarm Black Holes, Cormac Breen, Adrian Ottewill Oct 2010

Extended Green-Liouville Asymptotics And Vacuum Polarization For Lukewarm Black Holes, Cormac Breen, Adrian Ottewill

Articles

We consider a quantum field on a lukewarm black hole spacetime. We introduce a new uniform approximation to the radial equation, constructed using an extension of Green-Liouville asymptotics. We then use this new approximation to construct the renormalized vacuum polarization in the Hartle-Hawking vacuum. Previous calculations of the vacuum polarization rely on the WKB approximation to the solutions of the radial equation, however the nonuniformity of the WKB approximations obscures the results of these calculations near both horizons. The use of our new approximation eliminates these obscurities, enabling us to obtain explicitly finite and easily calculable values of the vacuum …


Community Radio:History,Growth,Challenges And Current Status Of It With Special Reference To India, Ratnesh Dwivedi Mr Oct 2010

Community Radio:History,Growth,Challenges And Current Status Of It With Special Reference To India, Ratnesh Dwivedi Mr

Ratnesh Dwivedi

Community radio is a type of radio service that caters to the interests of a certain area, broadcasting content that is popular to a local audience but which may often be overlooked by commercial or mass-media broadcasters. Modern-day community radio stations often serve their listeners by offering a variety of content that is not necessarily provided by the larger commercial radio stations. Community radio outlets may carry news and information programming geared toward the local area, particularly immigrant or minority groups that are poorly served by other major media outlets. Philosophically two distinct approaches to community radio can be discerned, …


Tensile Strained Island Growth At Step-Edges On Gaas(110), Paul J. Simmonds, M. L. Lee Oct 2010

Tensile Strained Island Growth At Step-Edges On Gaas(110), Paul J. Simmonds, M. L. Lee

Paul J. Simmonds

We report the growth of tensile strained GaP islands on a GaAs(110) surface. Three-dimensional island formation proceeds via a step-edge nucleation process. To explain the dislocation-free nature of these islands, we consider the kinetics of strain relief within the context of a model for dislocation glide as a function of surface orientation and sign of strain.


A Maximum Pseudo-Likelihood Approach For Estimating Species Trees Under The Coalescent Model, Liang Liu, Lili Yu, Scott V. Edwards Oct 2010

A Maximum Pseudo-Likelihood Approach For Estimating Species Trees Under The Coalescent Model, Liang Liu, Lili Yu, Scott V. Edwards

Biostatistics Faculty Publications

Background

Several phylogenetic approaches have been developed to estimate species trees from collections of gene trees. However, maximum likelihood approaches for estimating species trees under the coalescent model are limited. Although the likelihood of a species tree under the multispecies coalescent model has already been derived by Rannala and Yang, it can be shown that the maximum likelihood estimate (MLE) of the species tree (topology, branch lengths, and population sizes) from gene trees under this formula does not exist. In this paper, we develop a pseudo-likelihood function of the species tree to obtain maximum pseudo-likelihood estimates (MPE) of species trees, …


Walking Box Ranch Planning And Design Quarterly Progress Report: Period Ending October 10, 2010, Margaret N. Rees Oct 2010

Walking Box Ranch Planning And Design Quarterly Progress Report: Period Ending October 10, 2010, Margaret N. Rees

Walking Box Ranch

  • UNLV Public Safety is assisting in identifying security methods needed to guarantee safety and security at the ranch after project completion. This effort will involve the assistance of Metro CPTED program officers as design proceeds.
  • UNLV IT is determining the extent to which they can assist with networking and technology issues as project design moves forward. They may assist in identifying consultants to hire to assist with technology.
  • We have solicited research/education proposals from UNLV faculty for projects to be initiated in the coming year. The goal is to provide seed funding for projects that will expand as the facilities …


Pixel Based Note Taking Through Perceptual Structure Inference, Mitchell Kent Harris Oct 2010

Pixel Based Note Taking Through Perceptual Structure Inference, Mitchell Kent Harris

Theses and Dissertations

Knowledge workers need effective annotation tools to assimilate information. Unfortunately many digital annotators are limited in the range of document that they accept. Those that do accept many different documents do so by converting documents to images, thus losing any awareness about the original content of the document. We introduce a digital note taker that is both universal and content aware. By constructing a hierarchical context tree of document images, the structure of a document is inferred from the image. This hierarchical context tree is shown to be useful by demonstrating how it facilitates selection of document elements, reflowing documents …


Non-Invasive Prenatal Detection Of Trisomy 21 Using Tandem Single Nucleotide Polymorphisms, Sujana Ghanta, Michael Mitchell, Mary Ames, Mats Hidestrand, Pippa Simpson, Mary Goetsch, William Thilly, Craig Struble, Aoy Tomita-Mitchell Oct 2010

Non-Invasive Prenatal Detection Of Trisomy 21 Using Tandem Single Nucleotide Polymorphisms, Sujana Ghanta, Michael Mitchell, Mary Ames, Mats Hidestrand, Pippa Simpson, Mary Goetsch, William Thilly, Craig Struble, Aoy Tomita-Mitchell

Mathematics, Statistics and Computer Science Faculty Research and Publications

Background: Screening tests for Trisomy 21 (T21), also known as Down syndrome, are routinely performed for the majority of pregnant women. However, current tests rely on either evaluating non-specific markers, which lead to false negative and false positive results, or on invasive tests, which while highly accurate, are expensive and carry a risk of fetal loss. We outline a novel, rapid, highly sensitive, and targeted approach to non-invasively detect fetal T21 using maternal plasma DNA.

Methods and Findings: Highly heterozygous tandem Single Nucleotide Polymorphism (SNP) sequences on chromosome 21 were analyzed using High-Fidelity PCR and Cycling Temperature Capillary …


Einstein In The Sky: Black Hole Tales From The Edge Of Space And Time, Shane L. Larson Oct 2010

Einstein In The Sky: Black Hole Tales From The Edge Of Space And Time, Shane L. Larson

Public Talks

No abstract provided.


Dissipation Scales And Anomalous Sinks In Steady Two-Dimensional Turbulence, Eleftherios Gkioulekas Oct 2010

Dissipation Scales And Anomalous Sinks In Steady Two-Dimensional Turbulence, Eleftherios Gkioulekas

School of Mathematical and Statistical Sciences Faculty Publications and Presentations

In previous papers I have argued that the fusion rules hypothesis, which was originally introduced by L’vov and Procaccia in the context of the problem of three-dimensional turbulence, can be used to gain a deeper insight in understanding the enstrophy cascade and inverse energy cascade of two-dimensional turbulence. In the present paper, we show that the fusion rules hypothesis, combined with nonperturbative locality, itself a consequence of the fusion rules hypothesis, dictates the location of the boundary separating the inertial range from the dissipation range. In so doing, the hypothesis that there may be an anomalous enstrophy sink …


Interaction Of Atomic And Molecular Hydrogen With Tholin Surfaces At Low Temperatures, Gianfranco Vidali, Ling Li, Hui Zhao Oct 2010

Interaction Of Atomic And Molecular Hydrogen With Tholin Surfaces At Low Temperatures, Gianfranco Vidali, Ling Li, Hui Zhao

Physics - All Scholarship

We study the interaction of atomic and molecular hydrogen with a surface of tholin, a man-made polymer considered to be an analogue of aerosol particles present in Titan's atmosphere, using thermal programmed desorption at low temperatures below 30 K. The results are fitted and analyzed using a fine-grained rate equation model that describes the diffusion, reaction and desorption processes. We obtain the energy barriers for diffusion and desorption of atomic and molecular hydrogen. These barriers are found to be in the range of 30 to 60 meV, indicating that atom/molecule-surface interactions in this temperature range are dominated by weak adsorption …


Measurement Of Σ(Pp -> Bb-X) At √S=7 Tev In The Forward Region, Raymond Mountain, Marina Artuso, S. Blusk, Alessandra Borgia Oct 2010

Measurement Of Σ(Pp -> Bb-X) At √S=7 Tev In The Forward Region, Raymond Mountain, Marina Artuso, S. Blusk, Alessandra Borgia

Physics - All Scholarship

Decays of b hadrons into final states containing a D0 meson and a muon are used to measure the b anti-b production cross-section in proton-proton collisions at a centre-of-mass energy of 7 TeV at the LHC. In the pseudorapidity interval 2 < eta < 6 and integrated over all transverse momenta we find that the average cross-section to produce b-flavoured or anti-b-flavoured hadrons is (75.3 +/- 5.4 +/- 13.0) microbarns.


Measurement Of Sigma(Pp -> B Anti-B X) At \Sqrt(S)=7 Tev In The Forward Region, Raymond Mountain, Marina Artuso, S. Blusk, Alessandra Borgia Oct 2010

Measurement Of Sigma(Pp -> B Anti-B X) At \Sqrt(S)=7 Tev In The Forward Region, Raymond Mountain, Marina Artuso, S. Blusk, Alessandra Borgia

Physics - All Scholarship

Decays of b hadrons into final states containing a D0 meson and a muon are used to measure the b anti-b production cross-section in proton-proton collisions at a centre-of-mass energy of 7 TeV at the LHC. In the pseudorapidity interval 2 < eta < 6 and integrated over all transverse momenta we find that the average cross-section to produce b-flavoured or anti-b-flavoured hadrons is (75.3 +/- 5.4 +/- 13.0) microbarns.


Population Value Decomposition, A Framework For The Analysis Of Image Populations, Ciprian M. Crainiceanu, Brian S. Caffo, Sheng Luo, Vadim Zipunnikov Oct 2010

Population Value Decomposition, A Framework For The Analysis Of Image Populations, Ciprian M. Crainiceanu, Brian S. Caffo, Sheng Luo, Vadim Zipunnikov

Johns Hopkins University, Dept. of Biostatistics Working Papers

Images, often stored in multidimensional arrays are fast becoming ubiquitous in medical and public health research. Analyzing populations of images is a statistical problem that raises a host of daunting challenges. The most severe challenge is that data sets incorporating images recorded for hundreds or thousands of subjects at multiple visits are massive. We introduce the population value decomposition (PVD), a general method for simultaneous dimensionality reduction of large populations of massive images. We show how PVD can seamlessly be incorporated into statistical modeling and lead to a new, transparent and fast inferential framework. Our methodology was motivated by and …


Bedrock Erosion By Root Fracture And Tree Throw: A Coupled Biogeomorphic Model To Explore The Humped Soil Production Function And The Persistence Of Hillslope Soils, Emmanuel Gabet, Simon Mudd Oct 2010

Bedrock Erosion By Root Fracture And Tree Throw: A Coupled Biogeomorphic Model To Explore The Humped Soil Production Function And The Persistence Of Hillslope Soils, Emmanuel Gabet, Simon Mudd

Faculty Publications

In 1877, G. K. Gilbert reasoned that bedrock erosion is maximized under an intermediate soil thickness and declines as soils become thinner or thicker. Subsequent analyses of this “humped” functional relationship proposed that thin soils are unstable and that perturbations in soil thickness would lead to runaway thinning or thickening of the soil. To explore this issue, we developed a numerical model that simulates the physical weathering of bedrock by root fracture and tree throw. The coupled biogeomorphic model combines data on conifer population dynamics, rootwad volumes, tree throw frequency, and soil creep from the Pacific Northwest (USA). Although not …


Curvedland: An Applet For Illustrating Curved Geometry Without Embedding, Gary Felder, Stephanie Erickson Oct 2010

Curvedland: An Applet For Illustrating Curved Geometry Without Embedding, Gary Felder, Stephanie Erickson

Physics: Faculty Publications

We have written a Java applet to illustrate the meaning of curved geometry. The applet provides a mapping interface similar to MapQuest or Google Maps; features include the ability to navigate through a space and place permanent point objects and/or shapes at arbitrary positions. The underlying two-dimensional space has a constant, positive curvature, which causes the apparent paths and shapes of the objects in the map to appear distorted in ways that change as you view them from different relative angles and distances.


On The Three-Dimensional Blaschke-Lebesgue Problem, Henri Anciaux, Brendan Guilfoyle Oct 2010

On The Three-Dimensional Blaschke-Lebesgue Problem, Henri Anciaux, Brendan Guilfoyle

Publications

The width of a closed convex subset of n-dimensional Euclidean space is the distance between two parallel supporting hyperplanes. The Blaschke-Lebesgue problem consists of minimizing the volume in the class of convex sets of fixed constant width and is still open in dimension n ≥ 3. In this paper we describe a necessary condition that the minimizer of the Blaschke-Lebesgue must satisfy in dimension n = 3: we prove that the smooth components of the boundary of the minimizer have their smaller principal curvature constant and therefore are either spherical caps or pieces of tubes (canal surfaces).


Scoring Function To Predict Solubility Mutagenesis, Ye Tian, Christopher Deutsch, Bala Krishnamoorthy Oct 2010

Scoring Function To Predict Solubility Mutagenesis, Ye Tian, Christopher Deutsch, Bala Krishnamoorthy

Chemistry Faculty Publications and Presentations

Background: Mutagenesis is commonly used to engineer proteins with desirable properties not present in the wild type (WT) protein, such as increased or decreased stability, reactivity, or solubility. Experimentalists often have to choose a small subset of mutations from a large number of candidates to obtain the desired change, and computational techniques are invaluable to make the choices. While several such methods have been proposed to predict stability and reactivity mutagenesis, solubility has not received much attention. Results: We use concepts from computational geometry to define a three body scoring function that predicts the change in protein solubility due to …


Superoxide Does React With Peroxides: Direct Observation Of The Haber-Weiss Reaction In The Gas Phase, Stephen J. Blanksby, G. B. Ellison, V. M. Bierbaum, S. Kato Oct 2010

Superoxide Does React With Peroxides: Direct Observation Of The Haber-Weiss Reaction In The Gas Phase, Stephen J. Blanksby, G. B. Ellison, V. M. Bierbaum, S. Kato

Stephen Blanksby

Reactions of superoxide with hydrogen peroxide and organic hydroperoxides are observed as efficient processes in the gas phase and yield products – including the ozonide anion – that are consistent with the one-electron reduction of the peroxide.


Investigation Of The Gas Phase Reactivity Of The 1-Adamantyl Radical Using A Distonic Radical Anion Approach, D. G. Harman, Stephen J. Blanksby Oct 2010

Investigation Of The Gas Phase Reactivity Of The 1-Adamantyl Radical Using A Distonic Radical Anion Approach, D. G. Harman, Stephen J. Blanksby

Stephen Blanksby

The gas phase reactions of the bridgehead 3-carboxylato-1-adamantyl radical anion were observed with a series of neutral reagents using a modified electrospray ionisation linear ion trap mass spectrometer. This distonic radical anion was observed to undergo processes suggestive of radical reactivity including radical-radical combination reactions, substitution reactions and addition to carbon-carbon double bonds. The rate constants for reactions of the 3-carboxylato-1-adamantyl radical anion with the following reagents were measured (in units 10 12 cm3 molecule 1 s 1): 18O2 (85±4), NO (38.4±0.4), I2 (50±50), Br2 (8±2), CH3SSCH3 (12±2), styrene (1.20±0.03), CHCl3 (H abstraction 0.41±0.06, Cl abstraction 0.65±0.1), CDCl3 (D abstraction …


The Lowest Singlet And Triplet States Of The Oxylallyl Diradical, David A. Hrovat, Stephen J. Blanksby, W C. Lineberger, Andrei Sanov, Luis Verlarde, Weston T. Borden, Daniel J. Goebbert, Adam J. Gianola, Xin Zhou, Stephanie M. Villano, Takatoshi Ichino Oct 2010

The Lowest Singlet And Triplet States Of The Oxylallyl Diradical, David A. Hrovat, Stephen J. Blanksby, W C. Lineberger, Andrei Sanov, Luis Verlarde, Weston T. Borden, Daniel J. Goebbert, Adam J. Gianola, Xin Zhou, Stephanie M. Villano, Takatoshi Ichino

Stephen Blanksby

Photodetachment of the oxyallyl radical anion leads to formation of the oxyallyl diradical, an elusive transient molecule involved in many organic reactions. As described by W. C. Lineberger et al. in their Communication on page 8509 ff., the photoelectron spectrum reveals that the oxyallyl ground state is singlet and the lowest triplet state is only 55 meV higher in energy. The spectral profile indicates that the planar singlet state is the transition state for ringopening of cyclopropanone, whilst the CCC bending motion is activated upon photodetachment to the triplet state.


Online Ozonolysis Methods For The Determination Of Double Bond Position In Unsaturated Lipids, Michael Thomas, Todd W. Mitchell, Stephen J. Blanksby Oct 2010

Online Ozonolysis Methods For The Determination Of Double Bond Position In Unsaturated Lipids, Michael Thomas, Todd W. Mitchell, Stephen J. Blanksby

Stephen Blanksby

Modern lipidomics relies heavily on mass spectrometry for the structural characterization and quantification of lipids of biological origins. Structural information is gained by tandem mass spectrometry (MS/MS) whereby lipid ions are fragmented to elucidate lipid class, fatty acid chain length, and degree of unsaturation. Unfortunately, however, in most cases double bond position cannot be assigned based on MS/MS data alone and thus significant structural diversity is hidden from such analyses. For this reason, we have developed two online methods for determining double bond position within unsaturated lipids; ozone electrospray ionization mass spectrometry (OzESI-MS) and ozone-induced dissociation (OzID). Both techniques utilize …


Prenylated Alkylbisphenols From Grevillea Whiteana, Stephen J. Blanksby, Hao Wang, Paul I. Forster, David N. Leach, Peter G. Waterman, Michael C. Thomas Oct 2010

Prenylated Alkylbisphenols From Grevillea Whiteana, Stephen J. Blanksby, Hao Wang, Paul I. Forster, David N. Leach, Peter G. Waterman, Michael C. Thomas

Stephen Blanksby

Eleven new bisresorcinols including four mixtures each of two isomers and one resorcinol/phloroglucinol derivative, together with five known resorcinols have been isolated from the ethyl acetate extract of sterns of Grevillea whiteana. The new Compounds were identified as 4-(3-hydroxy-3-methylbutyl)grebustol-B (10a), 4'-(3-hydroxy-3-methylbutyl)grebustol-B (10b), 4-(4-hydroxy-3-methylbutyl)grebustol-B (2a) and 4'-(4-hydroxy-3-methylbutyl) rebustol-B (2b), 2,2-dimethyldihydropyrano grebustol-B (11a) and iso-2,2-dimethyldihydropyranogrebustol-B (11b), 2,2-dimethyl-3 xi-hydroxydihydropyranogrebustol-B (7a) and iso-2,2-dimethyl-3 xi-hydroxydihydropyranogrebustol-B (7b), 15-(2-(4-hydroxy-3-methylbutyl)-resorcinol-5-yl)-1-(phloroglucinolyl )-9(Z)pentadecen-one (whiteanone) (4), 5,5'-(hexadecan-diyl)bisresorcinol (12) and 2-methyl-5,5'-(8(Z)hexadecen-1,16-diyl)bisresorcinol (9). This is the first record of pyranobisresorcinols in the genus and the first report of a phloroglucinol terminal Phenolic unit in any Grevillea species.


Identification Of Abundant Alkyl Ether Glycerophospholipids In The Human Lens By Tandem Mass Spectrometry Techniques, Roger J. Truscott, Jane Deeley, Todd W. Mitchell, Michael Thomas, Stephen J. Blanksby Oct 2010

Identification Of Abundant Alkyl Ether Glycerophospholipids In The Human Lens By Tandem Mass Spectrometry Techniques, Roger J. Truscott, Jane Deeley, Todd W. Mitchell, Michael Thomas, Stephen J. Blanksby

Stephen Blanksby

Previous studies have shown that the human lens contains glycerophospholipids with ether linkages. These lipids differ from conventional glycerophospholipids in that the sn-1 substituent is attached to the glycerol backbone via an 1-O-alkyl or an 1-O-alk-1'-enyl ether rather than an ester bond. The present investigation employed a combination of collision-induced dissociation (CID) and ozone-induced dissociation (OzID) to unambiguously distinguish such 1-O-alkyl and 1-O-alk-1'-enyl ethers. Using these methodologies the human lens was found to contain several abundant 1-O-alkyl glycerophos-phoethanolamines, including GPEtn(16:0e/9Z-18:1), GPEtn(11Z-18:1e/9Z-18:1), and GPEtn(18:0e/9Z-18:1), as well as a related series of unusual 1-O-alkyl glycerophosphoserines, including GPSer(16:0e/9Z-18:1), GPSer(11Z-18:1e/9Z-18:1), GPSer(18:0e/9Z-18:1) that to our …


Trapping Of A Tert-Adamantyl Peroxyl Radical In The Gas Phase, D. G. Harman, Stephen J. Blanksby Oct 2010

Trapping Of A Tert-Adamantyl Peroxyl Radical In The Gas Phase, D. G. Harman, Stephen J. Blanksby

Stephen Blanksby

A bridgehead adamantyl peroxyl radical has been prepared and isolated in the gas phase by the reaction of a distonic radical anion with dioxygen in a quadrupole ion-trap mass spectrometer.


Fragmentation Pathways Of 2,3-Dimethyl-2,3-Dinitrobutane Cations In The Gas Phase, Martin Paine, Benjamin Kirk, Simon Ellis-Steinborner, Stephen J. Blanksby Oct 2010

Fragmentation Pathways Of 2,3-Dimethyl-2,3-Dinitrobutane Cations In The Gas Phase, Martin Paine, Benjamin Kirk, Simon Ellis-Steinborner, Stephen J. Blanksby

Stephen Blanksby

2,3-Dimethyl-2,3-dinitrobutane (DMNB) is an explosive taggant added to plastic explosives during manufacture making them more susceptible to vapour-phase detection systems. In this study, the formation and detection of gas-phase [M+H](+), [M+Li](+), [M+NH4](+) and [M+Na](+) adducts of DMNB was achieved using electrospray ionisation on a triple quadrupole mass spectrometer. The [M+H](+) ion abundance was found to have a strong dependence on ion source temperature, decreasing markedly at source temperatures above 50 degrees C. In contrast, the [M+Na](+) ion demonstrated increasing ion abundance at source temperatures up to 105 degrees C. The relative susceptibility of DMNB adduct ions toward dissociation was investigated …


Ion-Molecule Reactions Of O,S-Dimethyl Methylphosphonothioate: Evidence For Intramolecular Sulfur Oxidation During Vx Perhydrolysis, Jilliarne Williams, Martin Paine, Stephen J. Blanksby, Michael L. Rogers, Andrew M. Mcanoy Oct 2010

Ion-Molecule Reactions Of O,S-Dimethyl Methylphosphonothioate: Evidence For Intramolecular Sulfur Oxidation During Vx Perhydrolysis, Jilliarne Williams, Martin Paine, Stephen J. Blanksby, Michael L. Rogers, Andrew M. Mcanoy

Stephen Blanksby

The alkaline perhydrolysis of the nerve agent O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX) was investigated by studying the ion-molecule reactions of HOO- with O,S-dimethyl methylphosphonothioate in a modified linear ion-trap mass spectrometer. In addition to simple proton transfer, two other abundant product ions are observed at m/z 125 and 109 corresponding to the S-methyl methylphosphonothioate and methyl methylphosphonate anions, respectively. The structure of these product ions is demonstrated by a combination of collision-induced dissociation and isotope-labeling experiments that also provide evidence for their formation by nucleophilic reaction pathways, namely, (i) S(N)2 at carbon to yield the S-methyl methylphosphonothioate anion and (ii) nucleophilic …


Tandem Mass Spectrometry Of Deprotonated Iodothyronines, A. M. Couldwell, M. C. Thomas, Todd Mitchell, A. Hulbert, Stephen J. Blanksby Oct 2010

Tandem Mass Spectrometry Of Deprotonated Iodothyronines, A. M. Couldwell, M. C. Thomas, Todd Mitchell, A. Hulbert, Stephen J. Blanksby

Stephen Blanksby

In order to assist with the development of more selective and sensitive methods for thyroid hormone analysis the [M-H]– anions of the iodothyronines; T4, T3, rT3, (3,5)-T2 and the non-iodinated thyronine (T0) have been generated by negative ion electrospray mass spectrometry. Tandem mass spectra of these ions were recorded on a triple quadrupole mass spectrometer and show a strong analogy with the fragmentation pathways of the parent compound, tyrosine. All iodothyronines also show significant abundances of the iodide anion in their tandem mass spectra, which represents an attractive target for MRM analysis, given that iodothyronines are the only iodine bearing …


A Comparison Of The Gas Phase Acidities Of Phospholipid Headgroups:Experimental And Computational Studies, M. C. Thomas, Todd Mitchell, Stephen J. Blanksby Oct 2010

A Comparison Of The Gas Phase Acidities Of Phospholipid Headgroups:Experimental And Computational Studies, M. C. Thomas, Todd Mitchell, Stephen J. Blanksby

Stephen Blanksby

Proton-bound dimers consisting of two glycerophospholipids with different headgroups were prepared using negative ion electrospray ionization and dissociated in a triple quadrupole mass spectrometer. Analysis of the tandem mass spectra of the dimers using the kinetic method provides, for the first time, an order of acidity for the phospholipid classes in the gas phase of PE < PA << PG < PS < PI. Hybrid density functional calculations on model phospholipids were used to predict the absolute deprotonation enthalpies of the phospholipid classes from isodesmic proton transfer reactions with phosphoric acid. The computational data largely support the experimental acidity trend, with the exception of …


Ion-Molecule Reactions Reveal Facile Radical Migration In Peptides, Stephen J. Blanksby, Benjamin N. Moore, Ryan R. Julian Oct 2010

Ion-Molecule Reactions Reveal Facile Radical Migration In Peptides, Stephen J. Blanksby, Benjamin N. Moore, Ryan R. Julian

Stephen Blanksby

Ion-molecule reactions between molecular oxygen and peptide radicals in the gas phase demonstrate that radical migration occurs easily within large biomolecules without addition of collisional activation energy.