A selection of conference presentations and lectures given by faculty in the College of the Pacific - Department of Chemistry at University of the Pacific.

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Submissions from 2016

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electronic Motion in Molecules: Theory and Simulation, Anthony D. Dutoi

Novel 1→6- & 6→6-linked ester disaccharide analogs – synthesis and structural evaluation, Sven Hackbusch and Andreas H. Franz

Phase-transfer-catalyzed oxidative esterification of primary alcohols by TEMPO, Sven Hackbusch and Andreas H. Franz

Development of Karplus equations for 1,6-linked disaccharides, Amelia Watson and Andreas H. Franz

Submissions from 2015

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electronic Motion in Molecules: Theory and Simulation, Anthony D. Dutoi

Systematically Improvable Exciton Hamiltonians in Large-scale Electronic Structure Calculations, Anthony D. Dutoi and Yuhong Liu

Submissions from 2014

Q-Chem: The Electronic Structure Theorists' Electronic Structure Code (without ditching present market share), Anthony D. Dutoi

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Time-resolved Spectroscopy to Follow Electronic Motion in Molecules: A Study of Molecular Alignment, Anthony D. Dutoi

Simulating Transient Absorption Spectra using Extremely Broad X-ray Pulses, Anthony D. Dutoi and Stephen R. Leone

Separating Electron Correlations by Energy Scale: A Systematically Improvable Fragment-based Approach, Anthony D. Dutoi and Yuhong Liu

NMR Structure assignment and H/D-exchange behavior of glycosylated polyphenols, Andreas H. Franz

NMR Structure assignment and H/D-exchange behavior of glycosylated polyphenols, Andreas H. Franz

Acylation of trans-2-substituted cyclohexanols: Reversal of diastereoselectivity depends on scaffold substitution and achiral amine catalyst, Sven Hackbusch, Amelia Watson, and Andreas H. Franz

Thio-β-D-glucosides: Synthesis and evaluation as glycosidase inhibitors and activators, Nataliya M. Samoshina, Andrey V. Samoshin, Irina A. Dotsenko, Andreas H. Franz, and Vyacheslav V. Samoshin

Fliposomes: Stimuli-triggered conformational flip of novel amphiphiles causes an instant cargo release from liposomes, Vyacheslav V. Samoshin, Nataliya M. Samoshina, Xin Liu, Yu Zheng, Andreas H. Franz, and Xin Guo

Submissions from 2013

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electronic Motion, Anthony D. Dutoi, Kirill Gokhberg, and Lorenz S. Cederbaum

Long-range NMR 1H,13C-coupling and conformational analysis of polyphenolic glycosides, Ilona Serebnitskaya and Andreas H. Franz

Submissions from 2012

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Small Cluster Oligosaccharide Mimetics, Andreas H. Franz

Synthesis and NMR Structure Studies of Carbohydrate Mimetics, Andreas H. Franz

Luciferase gene transfection mediated by cationic liposomes comprising novel trans-2-aminocyclohexanol-based amphiphiles, Xin Liu, Yu Zheng, Nataliya M. Samoshina, Andreas H. Franz, Vyacheslav V. Samoshin, and Xin Guo

Efficient cellular delivery of methotrexate by liposomes containing novel amphiphiles with pH-triggerable conformations, Nataliya M. Samoshina, Xin Liu, Yu Zheng, Andreas H. Franz, Xin Guo, and Vyacheslav V. Samoshin

Novel amphiphiles for pH-sensitive liposomes with trans-2-aminocyclohexanol-based conformational switch and the simplified models thereof, Yu Zheng, Xin Liu, Nataliya M. Samoshina, Andreas H. Franz, Xin Guo, and Vyacheslav V. Samoshin

Submissions from 2011

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi

Coherence of Particles and Holes in Excitation Migration: A Density-matrix Analysis, Anthony D. Dutoi and Lorenz S. Cederbaum

Time-resolved Pump-Probe Spectroscopy to Follow Valence Electron Motion, Anthony D. Dutoi, Kirill Gokhberg, and Lorenz S. Cederbaum

Post-Translational Modifications of Proteins from the Chinook Salmon and from Xenopus laevis, Andreas H. Franz

NMR investigation of phospholipid/PEG-ceramide-liposomes, Andreas H. Franz, Nataliya M. Samoshina, Xin Guo, and Vyacheslav V. Samoshin

pH-Sensitive liposomes with new trans-2-aminocyclohexanol-based amphiphiles as conformational switches for the liposome membrane, Nataliya M. Samoshina, Xin Liu, Yu Zheng, Andreas H. Franz, Xin Guo, and Vyacheslav V. Samoshin

Variable diastereoselectivity in acylation of 2-substituted cyclohexanols, Andrey V. Samoshin, Jasper Visser, Matthew Curtis, and Andreas H. Franz

pH-Triggered conformational switches based on trans-2-aminocyclohexanol moiety, Vyacheslav V. Samoshin, Yu Zheng, Xin Liu, Nataliya M. Samoshina, and Vyacheslav A. Chertkov

Submissions from 2010

Electronic Excitations in Real Time and Space using the Polarization Propagator, Anthony D. Dutoi

Tracing Electronic Dynamics of Molecules in Real Time and Space: A Study of Excitation Transfer and Charge Separation, Anthony D. Dutoi

Tracing Molecular Electronic Excitation Dynamics in Real Time and Space, Anthony D. Dutoi

Tracing Molecular Electronic Excitations in Real Time and Space, Anthony D. Dutoi

Tracing Molecular Excitation Dynamics in Real Time and Space, Anthony D. Dutoi

Tracing Molecular Excitation Dynamics in Real Time and Space, Anthony D. Dutoi

Tracing Electronic Dynamics of Molecules in Real Time and Space: A Study of Excitation Transfer and Charge Separation, Anthony D. Dutoi, Michael Wormit, and Lorenz Cederbaum

NMR Solution Structure of two C-Glycosidic Tetrasaccharide Mimetics, Andreas H. Franz

Solution Geometry and Long-Range Coupling in Carbohydrate Mimetics from Glycal Dimerization, Andreas H. Franz

Design of biocompatible pH-sensitive liposomes for drug and gene delivery, Xin Guo, Nataliya M. Samoshina, Haigang Chen, Babora Brazdova, Andreas H. Franz, Huizhen Zhang, Francis C. Szoka, and Vyacheslav V. Samoshin

Trans-2-Aminocyclohexanol-based lipids as pH-sensitive conformational switches for the PEG-grafted liposomes, Nataliya M. Samoshina, Xin Guo, Barbora Brazdova, Yu Zheng, Xin Liu, Andreas H. Franz, and Vyacheslav V. Samoshin

Arylsulfanyl-alkyl alcohols as chiral auxiliaries, Andrey V. Samoshin, Andreas H. Franz, and Vyacheslav V. Samoshin

N-linked Oligosaccharides Characterization of Glycoprotein of Aggregate Gland from Black Widow Spider, Latrodectus Hesperus, Liang Zhao, Felicia Jeffery, Fan Xiang, Craig Vierra, and Andreas H. Franz

Analysis of N-linked Oligosaccharides from Xenopus laevis Vitelline Envelope Glycoprotein ZPA by Mass Spectrometry, Liang Zhao, Fan Xiang, Jerry L. Hedrick, and Andreas H. Franz

Progress in the Characterization of Glycosylation Microheterogeneity in Xenopus laevis Vitelline Envelope Glycoprotein ZPA, Liang Zhao, Fan Xiang, Jerry L. Hedrick, and Andreas H. Franz

Submissions from 2009

A Study of the Effect of Attenuation Curvature on Molecular Correlation Energies by Introducing an Explicit Cutoff Radius into Two-electron Integrals, Anthony D. Dutoi

Tracing Molecular Excitation Dynamics in Real Time and Space, Anthony D. Dutoi

Tracing Ultrafast Molecular Electronic Energy Transfer in Real Time and Space, Anthony D. Dutoi and Lorenz S. Cederbaum

Synthesis and Characterization of Small Cluster Oligosaccharide Mimetics, Andreas H. Franz

Triggering Stealth Liposomes by pH-Sensitive Conformational Switch of Lipid Tails, Xin Guo, Nataliya M. Samoshina, Vyacheslav V. Samoshin, and Andreas H. Franz

Mass Spectrometric Analysis of Proteolytic Products from MBP-Containing Heterologous Proteins Expressed in Pichia pastoris, Zhiguo Li, Wilson Leung, Joan Lin-Cereghino, Geoffrey Lin-Cereghino, Fan Xiang, and Andreas H. Franz

New Methods for the Synthesis of Peptides and Glycopeptides, Katja Michael, Tyrone Hogenauer, Zhefeng Cai, Clyde M. Kaneshiro, Carl W. Dirk, and Andreas H. Franz

Structure Elucidation of Disulfide Bonds in a Rhamnose-Binding Lectin from Salmon Eggs, Liang Zhao, Ruben T. Almaraz, Fan Xiang, Jerry L. Hedrick, and Andreas H. Franz

Progress towards the Characterization of N-linked Oligosaccharides from Xenopus laevis Vitelline Envelope Glycoprotein ZPA, Liang Zhao, Fan Xiang, Jerry L. Hedrick, and Andreas H. Franz

Submissions from 2008

Small-Molecule Oligosaccharide Tags for Derivatization of Glycans, Nandkishor S. Chindarkar and Andreas H. Franz

Practical Limitations of Modern Density-functional Models, Especially Regarding Self-interaction Error, Anthony D. Dutoi

The Electron Dynamics behind High-harmonic Generation: Effective Potentials and Multi-center Interference, Anthony D. Dutoi

The Electron Dynamics behind High-harmonic Generation: Focus on Multi-center Interference, Anthony D. Dutoi

Tracing Ultrafast Molecular Electronic Energy Transfer in Real Time and Space, Anthony D. Dutoi

Capabilities of the Pacific 600 MHz NMR Facility in the Chemistry Department, Andreas H. Franz

Small Cluster Oligosaccharide Mimetics and Multifunctional Small-Molecule Tags for Oligosaccharides, Andreas H. Franz

Design of Biocompatible pH-Sensitive Liposomes for Drug and Gene Delivery, Xin Guo, H. Chen, Barbora Brazdova, Andreas H. Franz, H. Zhang, N. Zhang, Francis C. Szoka, and Vyacheslav V. Samoshin

pH-Sensitive, Ortho Ester-Based Cationic Lipoplexes for Gene Delivery, Xin Guo, H. Chen, Andreas H. Franz, H. Zhang, Francis C. Szoka, and Vyacheslav V. Samoshin

Structural elucidation of the MBP (Maltose Binding Protein) C-termini from fusion proteins in Pichia pastoris expression system, Zhiguo Li, Wilson Leung, Joan Lin-Cereghino, Geoffrey Lin-Cereghino, and Andreas H. Franz

Mapping of Disulfide Bonds in Salmon Egg Lectin 24K Using Matrix-Assisted Laser Desorption/Ionization, Liang Zhao, Ruben T. Almaraz, Jerry L. Hedrick, Fan Xiang, and Andreas H. Franz

Submissions from 2007

1,3 Dipolar Cycloaddition of Small-Molecule Alkyne Tags to Carbohydrate Azides, Nandkishor S. Chindarkar and Andreas H. Franz

Computational Study of Orientation-dependent Molecular High-harmonic Spectra, Anthony D. Dutoi

The Electron Dynamics behind High-harmonic Generation: Focus on Multi-center Interference, Anthony D. Dutoi

The Electron Dynamics behind Molecular High-harmonic Generation, Anthony D. Dutoi

The Electron Dynamics behind Molecular High-harmonic Generation, Anthony D. Dutoi

Computational Study of Orientation-dependent Molecular High-harmonic Spectra, Anthony D. Dutoi and Tamar Seideman

Computational Study of Orientation-dependent Molecular High-harmonic Spectra, Anthony D. Dutoi and Tamar Seideman

Progress Towards the Mass Spectrometric Determination of the N- and C- Termini of Zona Pellucida ZPX Glycoprotein from X. laevis Eggs, Zhiguo Li, Ruben T. Almaraz, Jerry L. Hedrick, and Andreas H. Franz

Submissions from 2006

Quantum Computation for Quantum Chemistry: Electronic Structure Calculations using Quantum Algorithms, Anthony D. Dutoi

Inclusion of Long-range Exchange in TD-DFT: Towards a Quantitative Charge-transfer Model, Anthony D. Dutoi, Andreas Dreuw, and Martin Head-Gordon

Search for New Oligosaccharide Labels, Olga Goltvyanitsa, Nandkishor S. Chindarkar, and Andreas H. Franz

The Unusual Chemical Structure of a Carbohydrate-Quinic Acid Compound, Quy Lam Nguyen and Andreas H. Franz

Structural determination of the N- and C-terminus in gp41, the predominant glycoprotein in the vitelline envelope of Xenopus laevis eggs, Haiqiang Yu, Ruben T. Almaraz, Jerry L. Hedrick, and Andreas H. Franz

Submissions from 2005

Folate Conjugated Micellar Carriers for Targeted Drug Delivery, Shiladitya Bhattacharya, Andreas H. Franz, Xiaoling Li, and Bhaskara R. Jasti

Synthesis and Analytical Evaluation of New Oligosaccharide Tags, Nandkishor S. Chindarkar, Olga Goltvyanitsa, and Andreas H. Franz

An Improved Hybrid Exchange Kernel for Charge-Transfer States in TD-DFT, Anthony D. Dutoi

Small Cluster Oligosaccharide Mimetics and Synthetic Oligosaccharide Labels, Andreas H. Franz

Partial Determination of the Disulfide Bond Pattern in the Salmon Egg Lectin 24K Isolated from the Chinook Salmon Oncorhynchus tshawytscha, Haiqiang Yu, Kenji Murata, Jerry L. Hedrick, Fan Xiang, and Andreas H. Franz

Submissions from 2004

An Orbital-based Definition of Radical and Multiradical Character, Anthony D. Dutoi

Preventing Electrons from Repelling Themselves in TD-DFT: One Application of a New Integral, Anthony D. Dutoi

Carbohydrate Chemistry; Synthetic and Analytical Aspects of Oligosaccharides and Small Cluster Oligosaccharide Mimics (SCOM), Andreas H. Franz

Progress towards the Determination of the Disulfide Bond Arrangement Pattern of Three Salmon Egg Lectins (SEL) Isolated from the Eggs of the Chinook Salmon Oncorhynchus tshawytscha, Andreas H. Franz

New Multifunctional Tags for Oligosaccharides, Andreas H. Franz, Joanne Hsu, and Soo Jin Chang

Chromatographic Separation of Oligosaccharide Mixtures Labeled with a Multifunctional Tag, Joanne Hsu, Soo Jin Chang, and Andreas H. Franz

Synthesis and Characterization of Per-O-Acetylated Glycosyl Cyanides from L-Fucose and D-Galactose, Laura Jordan, Thuy Trang M. Nguyen, and Andreas H. Franz

Modification of Per-O-Acetylated Carbohydrates, E. Nwadibia and Andreas H. Franz

Inhibition of Soluble and Immobilized b-Galactosidases by D-Galactal and Cyano-D-Galactoside, Nataliya M. Samoshina and Andreas H. Franz

Synthesis and Characterization of b-Cyclodextrin Scaffolds, G. Singh, D. Kambaliya, and Andreas H. Franz

Submissions from 2003

Structure and Analysis of Wavefunctions, Anthony D. Dutoi