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Articles 571 - 600 of 760

Full-Text Articles in Chemistry

Density Functional Theory Study On The Electronic Structure Of N- And P-Type Doped Srtio3 At Anodic Solid Oxide Fuel Cell Conditions, Suwit Suthirakun, Salai Cheettu Ammal, Guoliang Xiao, Fanglin Chen, Andreas Heyden, Hans-Conrad Zur Loye Nov 2011

Density Functional Theory Study On The Electronic Structure Of N- And P-Type Doped Srtio3 At Anodic Solid Oxide Fuel Cell Conditions, Suwit Suthirakun, Salai Cheettu Ammal, Guoliang Xiao, Fanglin Chen, Andreas Heyden, Hans-Conrad Zur Loye

Faculty Publications

The electronic conductivity and thermodynamic stability of mixed n-type and p-type doped SrTiO3 have been investigated at anodic solid oxide fuel cell (SOFC) conditions using density functional theory (DFT) calculations. In particular, constrained ab initio thermodynamic calculations have been performed to evaluate the phase stability and reducibility of various Nb- and Ga-doped SrTiO3 at synthesized and anodic SOFC conditions. The density of states (DOS) of these materials was analyzed to study the effects of n- and p-doping on the electronic conductivity. In agreement with experimental observations, we find that the transformation from 20% Nb-doped Sr-deficient SrTiO …


The Regulation Of Skeletal Muscle Protein Turnover During The Progression Of Cancer Cachexia In The ApcMin/+ Mouse, James P. White, John W. Baynes, Stephen L. Welle, Matthew C. Kostek, Lydia E. Matesic, Shuichi Sato, James A. Carson Sep 2011

The Regulation Of Skeletal Muscle Protein Turnover During The Progression Of Cancer Cachexia In The ApcMin/+ Mouse, James P. White, John W. Baynes, Stephen L. Welle, Matthew C. Kostek, Lydia E. Matesic, Shuichi Sato, James A. Carson

Faculty Publications

Muscle wasting that occurs with cancer cachexia is caused by an imbalance in the rates of muscle protein synthesis and degradation. The Apc(Min/+) mouse is a model of colorectal cancer that develops cachexia that is dependent on circulating IL-6. However, the IL-6 regulation of muscle protein turnover during the initiation and progression of cachexia in the Apc(Min/+) mouse is not known. Cachexia progression was studied in Apc(Min/+) mice that were either weight stable (WS) or had initial (≤5%), intermediate (6-19%), or extreme (≥20%) body weight loss. The initiation of cachexia reduced %MPS 19% and a further ∼50% with additional weight …


Efficient Quantum Trajectory Representation Of Wavefunctions Evolving In Imaginary Time, Sophya V. Garashchuk, James Mazzuca, Tijo Vazhappilly Jul 2011

Efficient Quantum Trajectory Representation Of Wavefunctions Evolving In Imaginary Time, Sophya V. Garashchuk, James Mazzuca, Tijo Vazhappilly

Faculty Publications

The Boltzmann evolution of a wavefunction can be recast as imaginary-time dynamics of the quantum trajectory ensemble. The quantum effects arise from the momentum-dependent quantum potential – computed approximately to be practical in high-dimensional systems – influencing the trajectories in addition to the external classical potential [S. Garashchuk, J. Chem. Phys.132, 014112 (2010)]. For a nodelesswavefunction represented as ψ(x, t) = exp ( − S(x, t)/ℏ) with the trajectory momenta defined by ∇S(x, t), analysis of the Lagrangian and Eulerian evolution shows that for bound potentials the former …


A Bis-Urea Naphthalene Macrocycle Displaying Two Crystal Structures With Parallel Ureas, Michael F. Geer, Mark D. Smith, Linda S. Shimizu Apr 2011

A Bis-Urea Naphthalene Macrocycle Displaying Two Crystal Structures With Parallel Ureas, Michael F. Geer, Mark D. Smith, Linda S. Shimizu

Faculty Publications

Herein we synthesized a bis-urea macrocycle from 2,7-dimethylnaphthalene that displays an unusual parallel urea conformation. The naphthalenes also adopt a bowl shape over the anticipated parallel planar orientation. Crystallization of the macrocycle from different solvent systems affords two solvated forms. 1·DMSO·(H2O)2 has an extended columnar structure where parallel macrocycles are linked by intervening hydrogen bonded water molecules. In 1·(MeOH)2direct hydrogen-bonds link the macrocycles into chains, which hydrogen-bond with methanolmolecules to form a layered structure.


Electrospinning Fabrication, Structural And Mechanical Characterization Of Rod-Like Virus-Based Composite Nanofibers, Laying Wu, Jianfeng Zang, L. Andrew Lee, Zhongwei Niu, Gary C. Horvatha, Vaughn Braxtona, Arief C. Wibowo, Michael A. Bruckman, Soumitra Ghoshroy, Hans-Conrad Zur Loye, Xiaodong Li, Qian Wang Mar 2011

Electrospinning Fabrication, Structural And Mechanical Characterization Of Rod-Like Virus-Based Composite Nanofibers, Laying Wu, Jianfeng Zang, L. Andrew Lee, Zhongwei Niu, Gary C. Horvatha, Vaughn Braxtona, Arief C. Wibowo, Michael A. Bruckman, Soumitra Ghoshroy, Hans-Conrad Zur Loye, Xiaodong Li, Qian Wang

Faculty Publications

Tobacco mosaic virus (TMV) was electrospun with polyvinyl alcohol (PVA) into continuous TMV–PVA composite nanofibers to form a biodegradable nonwoven fibrous mat as an extracellular matrix (ECM) mimetic. Morphological characterizations by electron microscopyshowed that the addition of varying amounts of TMV resulted in homogeneous nanofibers without phase separation and did not change the diameter of the composite nanofibers. The orientation of TMV in as-spun fibers could be readily controlled and post-processing of the nonwoven TMV–PVA mat significantly improved its water resistance. In addition, tensile tests were performed on individual nanofibers, which revealed that the TMV–PVA composite nanofibers achieved a comparable …


Table Of Contents Jan 2011

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


President's Message, Justin K. Wyatt Jan 2011

President's Message, Justin K. Wyatt

Journal of the South Carolina Academy of Science

No abstract provided.


Scas Officers And Council Members 2010 - 2011 Jan 2011

Scas Officers And Council Members 2010 - 2011

Journal of the South Carolina Academy of Science

No abstract provided.


Glamor- Or How We Achieved A Common Understanding On The Decrease Of Glass Dissolution Kinetics Through International Cooperation, P. Van Iseghem, M. Aertsens, S. Gin, B. Grambow, D. Strachan, P. Mcgrail, G. Wicks, T. Mcmenamin Jan 2011

Glamor- Or How We Achieved A Common Understanding On The Decrease Of Glass Dissolution Kinetics Through International Cooperation, P. Van Iseghem, M. Aertsens, S. Gin, B. Grambow, D. Strachan, P. Mcgrail, G. Wicks, T. Mcmenamin

Journal of the South Carolina Academy of Science

No abstract provided.


Catalytic Carbon Nanostructures And Novel Nanocomposites For Hydrogen Storage, Ashley Stowe, Joseph Teprovich Jr., Douoglas Knight, Matthew Wellons, Ragaiy Zidan Jan 2011

Catalytic Carbon Nanostructures And Novel Nanocomposites For Hydrogen Storage, Ashley Stowe, Joseph Teprovich Jr., Douoglas Knight, Matthew Wellons, Ragaiy Zidan

Journal of the South Carolina Academy of Science

No abstract provided.


Properties And Uses Of Sodium Titanates And Peroxotitanates, David Hobbs Jan 2011

Properties And Uses Of Sodium Titanates And Peroxotitanates, David Hobbs

Journal of the South Carolina Academy of Science

No abstract provided.


Hollow Glass Microspheres As Micro Media For Complex Metal Hydrides Hydrogen Storage Compounds, Rana Mohtadi, Tomoya Matsunaga, Kit Heung, Ray Schumacher, George Wicks Jan 2011

Hollow Glass Microspheres As Micro Media For Complex Metal Hydrides Hydrogen Storage Compounds, Rana Mohtadi, Tomoya Matsunaga, Kit Heung, Ray Schumacher, George Wicks

Journal of the South Carolina Academy of Science

No abstract provided.


Overview Of Hybrid Microwave Technology, Rebecca Schulz, George Wicks, Diane Folz, David Clark Jan 2011

Overview Of Hybrid Microwave Technology, Rebecca Schulz, George Wicks, Diane Folz, David Clark

Journal of the South Carolina Academy of Science

No abstract provided.


Applications Of Biotechnology In Development Of Biomaterials: Nanotechnology And Biofilms, Robin L. Brigmon, Christopher Berry, Raj N. Singh, Roger J. Narayan Jan 2011

Applications Of Biotechnology In Development Of Biomaterials: Nanotechnology And Biofilms, Robin L. Brigmon, Christopher Berry, Raj N. Singh, Roger J. Narayan

Journal of the South Carolina Academy of Science

No abstract provided.


Water Quality And Corrosion: Considerations For Nuclear Reactor Systems, Robert L. Sindelar, Greg T. Chandler, John L. Micalonis Jan 2011

Water Quality And Corrosion: Considerations For Nuclear Reactor Systems, Robert L. Sindelar, Greg T. Chandler, John L. Micalonis

Journal of the South Carolina Academy of Science

No abstract provided.


Nanocarriers For Biomedical Applications, Shuyi Li, Lynsa Nguyen, Hairong Xion, Meiyao Wang, Tom C.-C. Hu, Jin-Xiong She, Steven M. Serkiz, George G. Wicks, William S. Dynan Jan 2011

Nanocarriers For Biomedical Applications, Shuyi Li, Lynsa Nguyen, Hairong Xion, Meiyao Wang, Tom C.-C. Hu, Jin-Xiong She, Steven M. Serkiz, George G. Wicks, William S. Dynan

Journal of the South Carolina Academy of Science

No abstract provided.


Removal And Sequestration Of Iodide From Alkaline Solutions Using Silver-Doped Carbon Nanotubes, Adrian L. Pishko, Steven M. Serkiz, Apparao M. Rao Jan 2011

Removal And Sequestration Of Iodide From Alkaline Solutions Using Silver-Doped Carbon Nanotubes, Adrian L. Pishko, Steven M. Serkiz, Apparao M. Rao

Journal of the South Carolina Academy of Science

No abstract provided.


Table Of Contents Jan 2011

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


Scas Officers And Council Members 2010-2011 Jan 2011

Scas Officers And Council Members 2010-2011

Journal of the South Carolina Academy of Science

No abstract provided.


Uranium Distribution In Geochemically Diverse Sediments, Tyler Womble, Wenyi Shu, Kaye Savage Jan 2011

Uranium Distribution In Geochemically Diverse Sediments, Tyler Womble, Wenyi Shu, Kaye Savage

Journal of the South Carolina Academy of Science

No abstract provided.


Gold Nanospheres As Inhibitors Of Amyloid- Β Protein Aggregation Involved In Alzheimer’S Disease, Mihyun Lim, Deborah Soto-Ortega, Rahina Mahtab, Melissa Moss Jan 2011

Gold Nanospheres As Inhibitors Of Amyloid- Β Protein Aggregation Involved In Alzheimer’S Disease, Mihyun Lim, Deborah Soto-Ortega, Rahina Mahtab, Melissa Moss

Journal of the South Carolina Academy of Science

No abstract provided.


Sirna-Mediated Inhibition Of The Hiv-1 Transactivator Of Transcription, Alexander Jureka, Pricilla Simon, William Jackson Jan 2011

Sirna-Mediated Inhibition Of The Hiv-1 Transactivator Of Transcription, Alexander Jureka, Pricilla Simon, William Jackson

Journal of the South Carolina Academy of Science

No abstract provided.


Physiological Markers Of Activity-Based Anorexia In Sprague Dawley Rats, Crystal Lange, Michelle Vieyra Jan 2011

Physiological Markers Of Activity-Based Anorexia In Sprague Dawley Rats, Crystal Lange, Michelle Vieyra

Journal of the South Carolina Academy of Science

No abstract provided.


Inverse Correspondence Of Amh And Fsh Levels In Women Presenting For Infertility Treatments, Amara Iverson, Abdelmonium Younis, William Butler, William Roudebush Jan 2011

Inverse Correspondence Of Amh And Fsh Levels In Women Presenting For Infertility Treatments, Amara Iverson, Abdelmonium Younis, William Butler, William Roudebush

Journal of the South Carolina Academy of Science

No abstract provided.


Systematic Approach To Electrostatically Induced 2d Crystallization Of Nanoparticles At Liquid Interfaces, Sumit Kewalramani, Suntao Wang, Yuan Lin, Huong Giang Nguyen, Qian Wang, Masafumi Fukuto, Lin Yang Nov 2010

Systematic Approach To Electrostatically Induced 2d Crystallization Of Nanoparticles At Liquid Interfaces, Sumit Kewalramani, Suntao Wang, Yuan Lin, Huong Giang Nguyen, Qian Wang, Masafumi Fukuto, Lin Yang

Faculty Publications

We report an experimental demonstration of a strategy for inducing two-dimensional (2D)crystallization of charged nanoparticles on oppositely charged fluid interfaces. This strategy aims to maximize the interfacial adsorption of nanoparticles, and hence their lateral packing density, by utilizing a combination of weakly charged particles and a high surface charge density on the planar interface. In order to test this approach, we investigated the assembly of cowpea mosaic virus (CPMV) on positively charged lipid monolayers at the aqueous solution surface, by means of in situX-ray scattering measurements at the liquid–vapor interface. Theassembly was studied as a function of the solution …


Guest Induced Transformations Of Assembled Pyridyl Bis-Urea Macrocycles, Kinkini Roy, Chun Wang, Mark D. Smith, Mahender B. Dewal, Arief C. Wibowo, Julius C. Brown, Shugo Ma, Linda S. Shimizu Aug 2010

Guest Induced Transformations Of Assembled Pyridyl Bis-Urea Macrocycles, Kinkini Roy, Chun Wang, Mark D. Smith, Mahender B. Dewal, Arief C. Wibowo, Julius C. Brown, Shugo Ma, Linda S. Shimizu

Faculty Publications

Pyridine macrocycles with no cavities assembled into close packed columns yet absorbed guests including hydrogen, carbon dioxide, and iodine.


Tobacco Mosaic Virus Based Thin Film Sensor For Detection Of Volatile Organic Compounds, Michael A. Bruckman, Jie Liu, Goutam Koley, Yu Li, Brian C. Benicewicz, Zhongwei Niu, Qian Wang Jun 2010

Tobacco Mosaic Virus Based Thin Film Sensor For Detection Of Volatile Organic Compounds, Michael A. Bruckman, Jie Liu, Goutam Koley, Yu Li, Brian C. Benicewicz, Zhongwei Niu, Qian Wang

Faculty Publications

A thin film sensor for the detection of volatile organic compounds (VOC) was fabricated by deposition of oligo-aniline grafted tobacco mosaic virus (TMV) onto a glass substrate. The oligo-aniline motifs were conjugated onto the TMV surface by a traditional diazonium coupling reaction to tyrosine residues followed by Cu(I) catalyzed alkyne-azide cycloaddition (CuAAC) reaction. The modified TMV was easily fabricated into a thin film by directly drop coating onto a glass substrate. Upon integration of the glass substrate into a prototypical device, the virus-based thin film exhibited good sensitivity and selectivity toward ethanol and methanol vapour.


Crossed-Beams And Theoretical Studies Of Hyperthermal Reactions Of O(3P) With Hcl†, Jianming Zhang, Amy L. Brunsvold, Hari P. Upadhyaya, Timothy K. Minton, Jon P. Camden, Sophya V. Garashchuk, George C. Schatz Mar 2010

Crossed-Beams And Theoretical Studies Of Hyperthermal Reactions Of O(3P) With Hcl†, Jianming Zhang, Amy L. Brunsvold, Hari P. Upadhyaya, Timothy K. Minton, Jon P. Camden, Sophya V. Garashchuk, George C. Schatz

Faculty Publications

The reaction of O(3 P) with HCl at hyperthermal collision energies (45-116 kcal mol-1 ) has been investigated with crossed-molecular beams experiments and direct dynamics quasi-classical trajectory calculations. The reaction may proceed by two primary pathways, (1) H-atom abstraction to produce OH and Cl and (2) H-atom elimination to produce H and ClO. The H-atom abstraction reaction follows a stripping mechanism, in which the reagent O atom approaches the HCl molecule at large impact parameters and the OH product is scattered in the forward direction, defined as the initial direction of the reagent O atoms. The H-atom elimination reaction is …


Tetraaquabis(3-Fluoropyridine-4-Carboxylato-Κn)Zinc(Ii) Dihydrate, Jonetha Fleming, Jennifer Kelley, Leroy Peterson Jr., Mark D. Smith, Hans-Conrad Zur Loye Feb 2010

Tetraaquabis(3-Fluoropyridine-4-Carboxylato-Κn)Zinc(Ii) Dihydrate, Jonetha Fleming, Jennifer Kelley, Leroy Peterson Jr., Mark D. Smith, Hans-Conrad Zur Loye

Faculty Publications

In the title compound, [Zn(C6H3FNO2)2(H2O)4]·2H2O, the ZnII atom is octahedrally coordinated in a ZnO4N2 environment by two 3-fluoropyridine-4-carboxylate (3-fpy4-cbx) ligands and four water molecules. The [Zn(3-fpy4-cbx)2(H2O)4] molecules form a three-dimensional network through strong O-HO and weak O-HF hydrogen bonds between 3-fpy4-cbx and water molecules. The crystal used for data collection was a twin, with the twin law corresponding to a 180° rotation about the real-space [001] axis. The major twin fraction refined to 0.795 (1).


Poly[[(Μ-2,2'-Bipyrimidine-Κ4N1,N1':N3,N3')(Μ-Sulfato-Κ2O:O')Zinc(Ii)] Monohydrate], Aaron Oxendine, Jennifer Kelley, Leroy Peterson Jr., Mark D. Smith, Hans-Conrad Zur Loye Jan 2010

Poly[[(Μ-2,2'-Bipyrimidine-Κ4N1,N1':N3,N3')(Μ-Sulfato-Κ2O:O')Zinc(Ii)] Monohydrate], Aaron Oxendine, Jennifer Kelley, Leroy Peterson Jr., Mark D. Smith, Hans-Conrad Zur Loye

Faculty Publications

In the title compound, {[Zn(SO4)(C8H6N4)]·H2O}n, the ZnII atom is in a distorted octahedral environment. The ZnII atoms are bridged by both 2,2'-bipyrimidine and sulfate ligands, thus forming a three-dimensional polymeric metal-organic solid that contains uncoordinated water molecules in the interstitial space. O-HO hydrogen bonding consolidates the crystal structure.