SMASH 2014 Poster Abstracts

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ID Author Title
1 Emmanuel Hatzakis Compositional Analysis of Encapsulated Fish Oil Supplements using Multinuclear and Multidimensional NMR Spectroscopy
2 Michael M. Hammer Unravelling Organocatalytic Reaction Mechanisms by NMR-Spectroscopy
3 Andrew R. Phillips Using NMR to Gain Understanding of Dissolution Processes
4 Patrick Giraudeau In situ EC-NMR by Real-Time 1D and 2D Spectroscopy
5 Carina Koch Mechanistic Studies of Transmetalation Intermediates in Copper-Catalyzed 1,4 Addition Reactions by Modified 1D 1H31P HMBCs
6 Christiane Wolff Kinetic Study of Olefin Metathesis Reactions using a Benchtop NMR Spectrometer
7 Iain Day Using Fluoroaromatics as Probes of Small Molecule Self-Aggregation
8 Steve Cheatham Exploiting Natural Abundance 13C-15N Coupling as a Method for Identification of Nitrogen Heterocycles: Practical use of the HCNMBC Sequence
9 Franziska Fendt 29Si and 119Sn NMR Studies on E44
10 Hanna Bartling Merging NMR and UV/Vis for Mechanistic Studies on Photocatalytic Systems
11 Eduardo Sousa Spectroscopic Characterization of Polimorphism in Efavirenz
12 Eliška Procházková 'Planamerism': A Novel Stereochemical Phenomenon?
13 Jessica Bame Conformational Determination of Conformationally Biased Homologated Alkanes
14 Ikenna Ndukwe Sensitivity and Resolution Enhancement in EXSIDE and Band Selective EXSIDE
15 Bertram Manz Latest Developments and Applications for High Resolution Multinuclear Benchtop NMR Spectrometers
16 Simon Glanzer Homonuclear J-Scaling During Acquisition
17 Jaroslav Havlicek Characterization of Active Pharmaceutical Ingredients Using Solid-State NMR Spectroscopy
18 Godiraone Tatolo Constant Time Gradient CRISIS HMBC (CTgc2HMBC)
19 Mateusz Urbanczyk Diffusion-ordered NMR with Joint Sparse Time-gradient Domain.
20 Haoxi Ben Isotopic Tracing and In-situ NMR Monitoring
21 Michael Bernstein Mixtures Analysis of Complex Samples
22 Regina Easley Determination of Spectrophotometric pH Indicator Purity Using Quantitative 1H NMR
23 Philip Keyes Automated Structure Verification: High Profile Patent Issues Building a C.A.S.E. for Enhanced Compound Quality Assurance
24 Jochen Junker Can NMR Correlations Determine Your Structure Unambiguously?
25 Andres Castillo Online Analysis and Visualisation Tools for Chemical Information
26 Michael Bernstein A Complete Wine Analysis Using Multiplets Detection
27 Michelle Markus Full Automation of Routine NMR Aanalysis for Polymers, Using Assure-RMS
28 Michelle Markus What is in Your Dishwashing Liquid? Developing Fully Automated Screening Methods for Commercial Products
29 Erwin Garcia Effectiveness of CRAFT in Quantifying Serum Metabolites in the Presence of Spectral Distortions and Sharp/Broad Peak Overlap
30 Andrea Sefler NMR For Quality Control of Injection Solution Mixtures: Comparison of Integration and CRAFT Analysis
31 C. Benjamin Naman Determination of an Unprecedented Fused Pentacyclic Flavonoid Skeleton by Computer-Assisted Structure Elucidation of Black Chokeberry (Aronia melanocarpa) Fruit Juice Isolates
32 Estelle Martineau Non-linear Effects in Quantitative 2D NMR of Polysaccharides: Pitfalls and How to Avoid Them
33 Ard Kolkman A Combined Approach: Highly Sensitive Pure Shift NMR and Structure Elucidation of ppm-impurities in Bulk Chemicals
34 Maria Victoria Silva Elipe Application of 19F Time-Domain NMR to Measure Content in FLuorine Containing Drug Products
35 Valdemar Lacerda Jr. Unequivocal Structural Assignments of Three Cycloheptenoid Intermediates for Guaiane Sesquiterpenes: An Experimental and Theoretical Approach
36 Janaina Vilcachagua Structural Assignment of Non-aromatic B-ring Flavanones from Piper Carniconnectivum C. DC by NMR, ECD and DFT Calculations
37 Radek Pohl Tautomerism of Isocytosine - Low-temperature NMR Study
38 Iain Swan Measuring and Mitigating Convection in NMR
39 Xiaoda Yuan Characterizing Hydrogen Bonding Interactions in Amorphous Solid Dispersions Using Solid-State NMR Spectroscopy
40 Ion Ghiviriga A Modified EXSIDE Experiment for the Measurement of 19F-15N Coupling Constants at Natural Abundance
41 Shi Bai Multinuclear Solid-state NMR Studies of Form I of Atorvastatin Calcium
42 Alvaro Cunha Neto Application of No-D NMR in Illicite Cocaine Analysis
43 Jan‑Christoph Westermann Free Ligand Conformational Populations in Solution
44 Donald Thomas Oils of Provenance: Quantitative NMR Using Natural Abundance Deuterium
45 Alexei Buevich NMR Structure Elucidation of Small Organic Molecules and Natural Products: Choosing ADEQUATE vs HMBC
46 Teodor Parella Fast and Efficient Enantiodifferentiation Through Pure Shift NMR
47 Teodor Parella Perfect-HSQC: Suppression of Phase and Amplitude J(HH) Modulations
48 Josep Saurí Pure In-Phase Heteronuclear Correlation NMR Experiments
49 Josep Saurí Simultaneous Measurement of the Magnitude and the Sign of Multiple Heteronuclear Coupling Constants in 19F- or 31P- Containing Molecules
50 Steve Coombes Real Time On-Line Flow-NMR-MS For Reaction Monitoring
51 Rogelio Pereda DFT 1H-1H Coupling Constants in the Configurational Reassignment of Synargentolide A
52 Dmitri Pichugin Evaluating the Relative Merits of CRISIS-HSQC, Pure Shift-HSQC and ASAP-HMQC for Rapid Screening of Organic Compounds
53 Juan Carlos Cobas Gómez Wide-Band Relaxometry Analysis of Noisy Multiexponential Decay Data
54 Patrick Wheeler Structure Revision of Acremolin: CASE Approach Based on 2D NMR vs. Total Synthesis
55 Igor Goljer Utilizing Fluorine NMR in the Detection and Structural Elucidation of Metabolites
56 Thomas Williamson LR-HSQMBC: A Highly Sensitive NMR Technique to Probe Very Long-Range Heteronuclear Coupling Pathways
57 Aleksej Krunić Application of Ultra-high Field NMR Spectroscopy in Characterization of Natural Products
58 John Glushka Software Tools for Simulating NOEs and J-Coupling from Long MD Trajectories of Flexible Molecules
59 Melissa Lin Investigation of the Root Cause of Opalescence of an Injectable Drug Product by Diffusion Ordered Spectroscopy
60 You Zhuo Monitoring In-Cell Metabolism with High Sensitivity Using DNP Polarized Substrates.
61 Marek Kuzma The MSG Mouse Model of Obesity Studied by NMR Metabonomics
62 Erich Hellemann Pure Shift F1 Proton-Coupled J-Scaled BIRD HSQC to Measure RDCs with Higher Accuracy and Sensitivity: Features and Limitations
63 Manuela García Di(ethylene glycol) Methyl Ether Methacrylate (DEGMA) Gels Align Small Organic Molecules in Methanol
64 Till Kühn From Automatic Structure Consistency Analysis to Structure Verification in NMR