Items where Division is "Dietrich School of Arts and Sciences > Chemistry" and Year is 2012

A

Al-Saidi, WA and Asher, SA and Norman, P (2012) Resonance raman spectra of TNT and RDX using vibronic theory, excited-state gradient, and complex polarizability approximations. Journal of Physical Chemistry A, 116 (30). 7862 - 7872. ISSN 1089-5639

Al-Saidi, WA and Voora, VK and Jordan, KD (2012) An assessment of the vdW-TS method for extended systems. Journal of Chemical Theory and Computation, 8 (4). 1503 - 1513. ISSN 1549-9618

B

Barth, Brian (2012) Electron Interactions in Carbon Nanomaterials. Master's Thesis, University of Pittsburgh. (Unpublished)

Bivona, Kevin (2012) DIFFUSION IMAGING OF LIPID MEMBRANES: DEVELOPING MULTI-PULSE NMR TO IMAGE STATIC MEMBRANES SAMPLES. Master's Thesis, University of Pittsburgh. (Unpublished)

Breen, KJ and Deblase, AF and Guasco, TL and Voora, VK and Jordan, KD and Nagata, T and Johnson, MA (2012) Bottom-up view of water network-mediated CO <inf>2</inf> reduction using cryogenic cluster ion spectroscopy and direct dynamics simulations. Journal of Physical Chemistry A, 116 (3). 903 - 912. ISSN 1089-5639

C

Cao, L and MacIejewski, JP and Elzner, S and Amantini, D and Wipf, P (2012) Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone. Organic and Biomolecular Chemistry, 10 (30). 5811 - 5814. ISSN 1477-0520

Clausen, Dane J (2012) An Investigation in Oxidative Cation Formation: The Total Synthesis of Lactodehydrothyrsiferol and Synthetic Application for a Bimolecular Carbon–Carbon Bond Forming Reaction. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Curran, DP (2012) Free at last! Nature Chemistry, 4 (12). 958 - ?. ISSN 1755-4330

Curran, DP and Boussonnière, A and Geib, SJ and Lacôte, E (2012) The parent borylene: Betwixt and between. Angewandte Chemie - International Edition, 51 (7). 1602 - 1605. ISSN 1433-7851

Curran, DP and Sinha, MK and Zhang, K and Sabatini, JJ and Cho, DH (2012) Binary fluorous tagging enables the synthesis and separation of a 16-stereoisomer library of macrosphelides. Nature Chemistry, 4 (2). 124 - 129. ISSN 1755-4330

F

Feigel, Ian M (2012) CARBON NANOMATERIALS FOR CHEMICAL AND BIOLOGICAL SENSING. Master's Thesis, University of Pittsburgh. (Unpublished)

G

Gerardi, HK and Deblase, AF and Leavitt, CM and Su, X and Jordan, KD and McCoy, AB and Johnson, MA (2012) Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH) <inf>2</inf>^-, with vibrational and photoelectron spectroscopies. Journal of Chemical Physics, 136 (13). ISSN 0021-9606

Gou, Pingping (2012) Metal ion and pH Sensors based on Carbon Nanotubes. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

H

Hale, James (2012) Implementation of Catalytic, Asymmetric Technology Toward the Total Synthesis of Apoptolidin C. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Horn, M and Mayr, H and Lacôte, E and Merling, E and Deaner, J and Wells, S and McFadden, T and Curran, DP (2012) N-heterocyclic carbene boranes are good hydride donors. Organic Letters, 14 (1). 82 - 85. ISSN 1523-7060

Hwang, Leekyoung (2012) DEVELOPMENT AND MECHANISTIC STUDY OF A PEPTIDE BASED METHODOLOGY FOR THE PREPARATION OF NANOPARTICLE SUPERSTRUCTURES. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

J

Jung, Hyung Hoon (2012) Gold-Catalyzed Synthesis of Heterocycles from Alkynyl Ethers. Synthesis of Leucascandrolide A. Mechanistic Analysis of Oxidative C–H Cleavages using Inter- and Intramolecular Kinetic Isotope Effects. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

K

Karalti, O and Alfè, D and Gillan, MJ and Jordan, KD (2012) Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models. Physical Chemistry Chemical Physics, 14 (21). 7846 - 7853. ISSN 1463-9076

Keffer, JL and Hammill, JT and Lloyd, JR and Plaza, A and Wipf, P and Bewley, CA (2012) Geographic variability and anti-staphylococcal activity of the chrysophaentins and their synthetic fragments. Marine Drugs, 10 (5). 1103 - 1125.

L

Lacôte, E and Curran, DP and Lalevée, J (2012) NHC-boranes: Air- and water-tolerant coinitiators for type II photopolymerizations. Chimia, 66 (6). 382 - 385. ISSN 0009-4293

Lalevée, J and Telitel, S and Tehfe, MA and Fouassier, JP and Curran, DP and Lacôte, E (2012) N-heterocyclic carbene boranes accelerate type i radical photopolymerizations and overcome oxygen inhibition. Angewandte Chemie - International Edition, 51 (24). 5958 - 5961. ISSN 1433-7851

Lengyel, George (2012) Designing Methodology for the Incorporation of Beta-Amino Acids into Protein Tertiary Structures. Master's Thesis, University of Pittsburgh. (Unpublished)

Li, Jian (2012) THE DEPENDENCE OF DEGRADATION AND RELEASE BEHAVIOR OF POLYESTERS ON MONOMER SEQUENCE. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Li, Si (2012) Capillary-based microreactor for high throughput catalyst screening in Lewis acid and strong Brønsted acid catalyzed reactions. Master's Thesis, University of Pittsburgh. (Unpublished)

Liberatore, Melissa (2012) SYNTHESIS AND NMR STUDIES OF A β-TURN MIMETIC MOLECULAR TORSION BALANCE. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Liu, Z and Celotto, AM and Romero, G and Wipf, P and Palladino, MJ (2012) Genetically encoded redox sensor identifies the role of ROS in degenerative and mitochondrial disease pathogenesis. Neurobiology of Disease, 45 (1). 362 - 368. ISSN 0969-9961

M

Ma, L and Hong, Z and Sharma, B and Asher, S (2012) UV resonance Raman studies of the NaClO<inf>4</inf> dependence of poly-l-lysine Conformation and hydrogen exchange kinetics. Journal of Physical Chemistry B, 116 (3). 1134 - 1142. ISSN 1520-6106

Ma, Lu (2012) UV RESONANCE RAMAN STUDY OF SOLUTION ENVIRONMENT EFFECT ON POLY-L-LYSINE CONFORMATION AND RESOLUTION ENHANCEMENT MECHANISM OF TWO DIMENSIONAL CORRELATION SPECTROSCOPY. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Marbella, Lauren E. (2012) INVESTIGATING MITOCHONDRIA PENETRATING PEPTIDES WITH SOLID STATE NMR USING MODEL MEMBRANES. Master's Thesis, University of Pittsburgh. (Unpublished)

Merling, E and Lamm, V and Geib, SJ and Lacôte, E and Curran, DP (2012) [3+2]-Dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide. Organic Letters, 14 (11). 2690 - 2693. ISSN 1523-7060

Minami, SS and Sun, B and Popat, K and Kauppinen, T and Pleiss, M and Zhou, Y and Ward, ME and Floreancig, P and Mucke, L and Desai, T and Gan, L (2012) Selective targeting of microglia by quantum dots. Journal of Neuroinflammation, 9.

Moretti, JD and Wang, X and Curran, DP (2012) Minimal fluorous tagging strategy that enables the synthesis of the complete stereoisomer library of SCH725674 macrolactones. Journal of the American Chemical Society, 134 (18). 7963 - 7970. ISSN 0002-7863

N

Nikolayev, Aleksey E. (2012) DIS-ENTANGLING CONVOLUTED ELECTRONIC SPECTRA WITH HIGH AMPLITUDE INTERNAL MOTIONS. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

O

Oladepo, SA and Xiong, K and Hong, Z and Asher, SA and Handen, J and Lednev, IK (2012) UV resonance raman investigations of peptide and protein structure and dynamics. Chemical Reviews, 112 (5). 2604 - 2628. ISSN 0009-2665

Osbourn, Joshua M. (2012) Intramolecular [2 + 2] Cycloaddition Reactions of Allene-ynes: Exploring the Scope, Mechanism, and Application to the Synthesis of Carbocyclic Spirooxindoles. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Osman, Sami (2012) SYNTHETIC AND BIOLOGICAL STUDIES ON ANALOGUES OF FR901464 AND TMC-205. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

P

Pan, X and Lacôte, E and Lalevée, J and Curran, DP (2012) Polarity reversal catalysis in radical reductions of halides by N-heterocyclic carbene boranes. Journal of the American Chemical Society, 134 (12). 5669 - 5674. ISSN 0002-7863

Petronijevic, Filip (2012) Synthetic Studies on Cycloclavine, Cyclopiazonic Acid, and Other Biologically Active Indole-Containing Compounds. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Pizzo, C and Faral-Tello, P and Salinas, G and Fló, M and Robello, C and Wipf, P and Graciela Mahler, S (2012) Selenosemicarbazones as potent cruzipain inhibitors and their antiparasitic properties against Trypanosoma cruzi. MedChemComm, 3 (3). 362 - 368. ISSN 2040-2503

Prokofjevs, A and Boussonnière, A and Li, L and Bonin, H and Lacôte, E and Curran, DP and Vedejs, E (2012) Borenium ion catalyzed hydroboration of alkenes with N-heterocyclic carbene-boranes. Journal of the American Chemical Society, 134 (29). 12281 - 12288. ISSN 0002-7863

S

SASMAL, ANIRUDDHA (2012) Studies of Memory of Chirality in Amide Radical Cyclizations. Master's Thesis, University of Pittsburgh. (Unpublished)

SASMAL, ANIRUDDHA (2012) Studies of Memory of Chirality in Amide Radical Cyclizations. Master's Thesis, University of Pittsburgh. (Unpublished)

Sarver, Jessica (2012) Probing the Structure and Dynamics of a Protein-DNA Complex Using Electron Spin Resonance. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Seguin, SP and Ireland, AW and Gupta, T and Wright, CM and Miyata, Y and Wipf, P and Pipas, JM and Gestwicki, JE and Brodsky, JL (2012) A screen for modulators of large T antigen's ATPase activity uncovers novel inhibitors of Simian Virus 40 and BK virus replication. Antiviral Research, 96 (1). 70 - 81. ISSN 0166-3542

Shanks, RMQ and Stella, NA and Lahr, RM and Wang, S and Veverka, TI and Kowalski, RP and Liu, X (2012) Serratamolide is a hemolytic factor produced by Serratia marcescens. PLoS ONE, 7 (5).

Shvedova, AA and Kapralov, AA and Feng, WH and Kisin, ER and Murray, AR and Mercer, RR and St. Croix, CM and Lang, MA and Watkins, SC and Konduru, NV and Allen, BL and Conroy, J and Kotchey, GP and Mohamed, BM and Meade, AD and Volkov, Y and Star, A and Fadeel, B and Kagan, VE (2012) Impaired clearance and enhanced pulmonary inflammatory/fibrotic response to carbon nanotubes in myeloperoxidase-deficient mice. PLoS ONE, 7 (3).

Skoda, EM and Davis, GC and Wipf, P (2012) Allylic amines as key building blocks in the synthesis of (E)-alkene peptide isosteres. Organic Process Research and Development, 16 (1). 26 - 34. ISSN 1083-6160

Solovyev, A and Geib, SJ and Lacôte, E and Curran, DP (2012) Reactions of boron-substituted N-heterocyclic carbene boranes with triflic acid. Isolation of a new dihydroxyborenium cation. Organometallics, 31 (1). 54 - 56. ISSN 0276-7333

Solovyev, Andrey (2012) CHEMISTRY OF N-HETEROCYCLIC CARBENE–BORANE COMPLEXES. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Sorescu, DC and Lee, J and Al-Saidi, WA and Jordan, KD (2012) Coadsorption properties of CO <inf>2</inf> and H <inf>2</inf>O on TiO <inf>2</inf> rutile (110): A dispersion-corrected DFT study. Journal of Chemical Physics, 137 (7). ISSN 0021-9606

Stayshich, Ryan (2012) Sequence Engineering: Fine Tuning Polymer Properties at the Microstructural Level. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

T

Tandon, M and Wang, L and Xu, Q and Xie, X and Wipf, P and Wang, QJ (2012) A Targeted Library Screen Reveals a New Inhibitor Scaffold for Protein Kinase D. PLoS ONE, 7 (9).

Taniguchi, T and Curran, DP (2012) Silica gel promotes reductions of aldehydes and ketones by N-heterocyclic carbene boranes. Organic Letters, 14 (17). 4540 - 4543. ISSN 1523-7060

Tehfe, MA and Monot, J and Malacria, M and Fensterbank, L and Fouassier, JP and Curran, DP and Lacôte, E and Lalevée, J (2012) A water-compatible NHC-borane: Photopolymerizations in water and rate constants for elementary radical reactions. ACS Macro Letters, 1 (1). 92 - 95.

U

Uh, Hyounsoo (2012) DESIGN, SYNTHESIS AND APPLICATION OF VISIBLE AND NEAR INFRARED LUMINESCENT LANTHANIDE COMPLEXES: FROM SMALL MOLECULES TO MACROMOLECULES. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

V

Vargo, Thomas R. (2012) Catalytic Asymmetric Aldol Equivalents for an Enantioselective Total Synthesis of Apoptolidin C. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Vysotskiy, VP and Cederbaum, LS and Sommerfeld, T and Voora, VK and Jordan, KD (2012) Benchmark calculations of the energies for binding excess electrons to water clusters. Journal of Chemical Theory and Computation, 8 (3). 893 - 900. ISSN 1549-9618

W

WANG, YUEXIANG (2012) EXPLORING EXTRACELLULAR DOPAMINE CONCENTRATION AND ITS REGULATION ON DOPAMINE RELEASE BY VOLTAMMETRY. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Wang, David Wen Rui (2012) Flexibility vs. preorganization: molucular simulations of MDM2-p53 peptide binding events. Undergraduate Thesis, University of Pittsburgh. (Unpublished)

Wang, FF and Kumar, R and Jordan, KD (2012) A distributed point polarizable force field for carbon dioxide. Theoretical Chemistry Accounts, 131 (3). 1 - 8. ISSN 1432-881X

Wang, L and Asher, SA (2012) Refractive-index matching avoids local field corrections and scattering bias in solid-state Na <inf>2</inf>SO <inf>4</inf> ultraviolet Raman cross-section measurements. Applied Spectroscopy, 66 (2). 157 - 162. ISSN 0003-7028

Wang, L and Ma, C and Wipf, P and Xie, XQ (2012) Linear and nonlinear support vector machine for the classification of human 5-HT <inf>1A</inf> ligand functionality. Molecular Informatics, 31 (1). 85 - 95. ISSN 1868-1743

Wang, L and Tikhonov, A and Asher, SA (2012) Silica crystalline colloidal array deep ultraviolet narrow-band diffraction devices. Applied Spectroscopy, 66 (4). 426 - 431. ISSN 0003-7028

Wang, Luling (2012) FABRICATION OF CRYSTALLINE COLLOIDAL ARRAY PHOTONIC CRYSTALS AND APPLICATIONS. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Wang, Manyan (2012) SINGLE-CELL ELECTROPORATION USING ELECTROLYTE-FILLED CAPILLARIES -EXPERIMENTAL AND MODELING INVESTIGATIONS. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

X

Xiong, K and Asher, SA (2012) Impact of ion binding on poly-l-lysine (un)folding energy landscape and kinetics. Journal of Physical Chemistry B, 116 (24). 7102 - 7112. ISSN 1520-6106

Xiong, K and Ma, L and Asher, SA (2012) Conformation of poly-L-glutamate is independent of ionic strength. Biophysical Chemistry, 162. 1 - 5. ISSN 0301-4622

Xiong, K and Punihaole, D and Asher, SA (2012) UV resonance raman spectroscopy monitors polyglutamine backbone and side chain hydrogen bonding and fibrillization. Biochemistry, 51 (29). 5822 - 5830. ISSN 0006-2960

Xiong, Kan (2012) UV RESONANCE RAMAN STUDIES OF PEPTIDE FOLDING, PEPTIDE FIBRILLIZATION AND Cl- → H2O CHARGE TRANSFER TRANSITION. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Xu, Jiawei (2012) Quantum Monte Carlo Study of Weakly Interacting Many-Electron Systems. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Xu, Xiaomi (2012) Electrochemical detection optimized for capillary liquid chromatographic determination of neuroactive compounds. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Y

Yeh, An-Hung E. (2012) Fluorous Mixture Synthesis (FMS) of Four Isomers of 4,8,12,-Trimethylnonadecanol and the Development of an NMR-based Method for Determining the Configurations of Polyisoprenoid Structures. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Yi, Ying (2012) Capillary HPLC Separation of Selected Neuropeptides. Master's Thesis, University of Pittsburgh. (Unpublished)

Z

ZUO, ZHONGFENG (2012) DNA REPLICATION IN ARCHAEA: PRIMING, TRANSFERASE, AND ELONGATION ACTIVITIES. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Zhang, Guozhen (2012) Computational Studies of Chemical Systems: I. A Molecular Dynamics Simulation of Methane Hydrate; II. Theoretical Investigation of Water Loading on a Pyrophyllite (001) Surface. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

Zhang, JT and Smith, N and Asher, SA (2012) Two-dimensional photonic crystal surfactant detection. Analytical Chemistry, 84 (15). 6416 - 6420. ISSN 0003-2700

Zhang, JT and Wang, L and Lamont, DN and Velankar, SS and Asher, SA (2012) Fabrication of large-area two-dimensional colloidal crystals. Angewandte Chemie - International Edition, 51 (25). 6117 - 6120. ISSN 1433-7851

Zhao, Q and Curran, DP and Malacria, M and Fensterbank, L and Goddard, JP and Lacôte, E (2012) NHC-catalyzed chemo- and regioselective hydrosilylation of carbonyl derivatives. Synlett (3). 433 - 437. ISSN 0936-5214