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SMASH 2016 Poster Abstracts

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ID Author Title
1 Lisabeth Wagner Quantitative Discharge Water Analysis Using Mobile 1H NMR
2 Maic Fredersdorf Conformational Analysis of the Antibiotic Cyclodepsipeptide Methylgriselimycin with RDCs
3 Martin Dracinsky “Through-Space” J-Coupling Between Hydrogen Nuclei
4 Azzedine Dabo High Resolution NMR Based Approaches for Facilitating Chromatography Method Development
5 Dirk Stueber Quantitative Component Analysis of Solid Mixtures by Analyzing Time-Domain 1H and 19F T1 Saturation Recovery Curves
7 Eliška Procházková Structural Insights Into the Enantioselectivity of an Organocatakyst for the Acylation of 1,2-diols from an NOE Investigation
8 Ralph Adams Towards Optimal NMR Measurement of Carbon Kinetic Isotope Effects
9 Joan Malmstrøm qNMR from In-process Support to Product on the Market
10 Josep Saurí Homodimericin-A: Elucidating the Structure of a Complex Natural Product with an Unprecedented Carbon Skeleton
11 Evan McCarney The Application of Multinuclear Benchtop NMR Spectroscopy in the Analysis of Samples from Suspected Clandestine Methamphetamine Laboratories
12 Mari Victoria Silva Elipe Reaction Monitoring by NMR in a Two-Chamber Glass System
13 Rupashree Dass Application of NUS to Monitor in vivo Processes
14 Julian Greindl Structural Preferences and Unexpected Mobility in Imine/Phosphoric Acid Complexes
15 Kerstin Rothermel NMR-Spectroscopic Investigations on Hydrogen Bond Interactions between Chiral Phosphoric Acids and Imines
16 Andreas Seegerer NMR Spectroscopic Investigations of Remote Stereocontrol in Dienamine Catalysis
17 Ikenna Ndukwe EXACT NMR – Faster Pseudo-2D Acquisition and Safer ASAP‑HSQC
18 Florian Hastreiter NMR Spectroscopic Investigation of Silicon Zintl Anions
19 Jessica Bame The Trouble with τc – How to Account for the Variance in Nuclear Motion in Small Molecules for NOE Distance Determination?
20 Jerripothula K Lakshmi Determination of Relative Orientation of Triterpene Domain in Bis Triterpene-triazole Molecules, by Using RDC-enhanced NMR Spectroscopy
21 Alexei Buevich Synergistic Combination of DFT Chemical Shift Predictions with CASE Algorithms: a New Powerful Approach for Structure Elucidation, Verification and Revision
22 Alexei Buevich Mechanism of Atropisomerization of 8-membered Dibenzolactam: Experimental NMR and Theoretical DFT Study
23 Guillermo Lucena Alcalde Extending the Application Range of Chromatographic NMR by Enantiomer Separation and Optimization of Diffusion Measurements Under MAS
24 Claire Dickson 3JCH – Relating Scalar Coupling Constants to 3D Molecular Structure in Solution
25 Eduardo Sousa Effects of Solvent, Concentration and Temperature on Development of a qNMR Assay Method for the Antiretroviral Drug Efavirenz
26 Lena Keller NMR Characterization of a Complex Natural Product Macrolide
27 Radek Pohl Tautomer Equlibrium Control Via Intramolecular Hydrogen Bonding
29 Laura Castañar Acedo PSYCHE Pure Shift NMR: Spectral Simplification and its Applications
30 Josep Saurí Band-Selective 2D HSQMBC: A Universal Technique for Detection and Measurement of 35,37Cl Isotope Effects for 13C Nuclei
31 Brendan Duggan A Sensitivity Comparison of HMBC and LR-HSQMBC Experiments
32 Nathaniel Segraves Exploring Cleanup Procedures for HPLC Contaminants to Aid Low Level NMR Sample Analysis
33 Arvin Moser Advances in NMR Software and NMR Experiments: Three Novel Structures Solved with Computer-Assisted Structure Elucidation Enhanced with Modern NMR Experiments
34 Si Yan Mechanistic Investigation of Membrane Residency of Membrane Protein Ligands
35 Thomas Wyche Structure Elucidation by 13C-13C COSY NMR of Two Novel Peptides from a Mushroom-derived Streptomyces sp
36 Michael Kline Practical Considerations for Use of Either 1H -15N or 13C-15N Coupling Constant Measurements for Geometric Assignment
37 Tomohiko Ueda A novel method for distinguishing between Salts and Co-crystals using Solid State NMR Spectroscopy
38 Andrea Sefler CRAFT 2D Aids the NMR Structural Identification of a Novel Diabetes Biomarker
39 Liladhar Paudel Extractive Ratio Analysis NMR Spectroscopy for Improved Unknown Metabolite Identification: in Crowded Specctra1D NMR to Robust Correlation Spectroscopy
40 Valdemar Lacerda Jr. Unequivocal Structural Assignments of a Macrolactone: An Experimental and Theoretical Approach
41 Iain Day Improved INADEQUATE by F1 Spectral Aliasing and Non-Uniform Sampling
42 Fangming Kong Isolation and Structure Elucidation of SEG2011-1348, an Undesired Product Found in the Synthesis of Palbociclib
43 Chen Zhang Small Molecule Accurate Recognition Technology (SMART): A Digital Frontier to Reshape Natural Products Research
44 Kim Colson Cell Culture Media: NMR Approaches to Evaluating Quality and Nutrient Consumption
45 Anthony Ribeiro Pure Shift NMR with Water Suppression using CHEMPACK on Oligosaccharides
46 Jaroslav Havlicek Detection of polymorphic purity by means of 13C and 19F ssNMR
47 Jinhai Gao Optimal Flip Angle for Robust Quantitative NMR Measurement using a Fixed Pulse Width
48 Heike Hofstetter Light-Assisted NMR for Photochemical Applications
49 Donald Stec 1H NMR Analysis of Urinary Metabolome in Ischemia-Repurfusion Acute Kidney Injury
50 Anna Codina New Approaches to in situ analysis of Reactions by NMR
51 Clark Ridge Application of a Computer-Assisted Structure Elucidation Program for the Structural Determination of a Difficult Natural Product
52 Kaylen Obray Solid Alkane Reverse Micelles (SARMs)- Confining Water in the Solid State
53 C. Benjamin Naman NMR-Based Cyanobacterial Natural Product Structure Elucidation Facilitated by MS/MS Molecular Networking
54 Romana Rigger High-Performance quantitative NMR (HP-qNMR)
55 Marta Brucka Highly resolved pure shift NMR experiments for the analysis of complex mixtures of compounds
56 Hugh Dannatt Precise Conformational Discrimination when 1H -1H NOESY & 3J data are Sparse
57 James Hook Atrazine: Simple or Complex, or Both?
58 Bibhuti Das Reconstruction of Two-Dimensional Spectra from One-Dimensional Projections
59 Braden Roth NMR-Based Fragment Screen for Inhibitors of the Clostridium Difficile Binary Toxin, CDT
60 Julie Calahan Investigating the Hydrate Forms and Functional Properties of Magnesium Stearate in Formulations using Solid-State NMR Spectroscopy
61 Juan Carlos Cobas Automating the Evaluation of Screening Libraries by 1H & 19F NMR
62 Manuel Perez StereoFitter. Mixing all NMR observables for Conformational deconvolution
63 Armando Navarro‑Vázquez RDC/RCSA-Enhanced Conformational Analysis of Monocrotalin in Water and Organic Solvents
64 Xiao Wang SMP1, a Cystein-rich Peptide from Marine Sponge Spirastrella mollis
65 Raul G. Enriquez Complexing Behavior of Diacetylcurcumin and Perezone with Zn, Gd and Sm Seen by Liquid and Solid NMR.
66 Eric Munson Investigating Pharmaceutical Formulations Using Dynamic Nuclear Polarization CPMAS NMR
67 Teodor Parella Homodecoupled J-resolved HSQC: Direct Determination of Accurate 1H 13C RDCs in a Single PMMA Compressed Gel Sample
68 Gary Sharman Low Field NMR for Monitoring Reactions in Pharmaceutical Discovery Chemistry
69 Roberto Gil In-situ Determination of 1DCH and 2DHH RDCs from a Single 1JCH/2JHH-Resolved NMR Measurement
70 Juan Carlos Cobas Pure Shift NMR Covariance
71 Tim Claridge Scalar Cross-Relaxation Observed in NOESY in NOESY Spectra of Thia- and Oxazolidines
72 Eric Munson Using 1H T1 Relaxation Times for Measuring Particle Size, Purity, and Stability of Crystalline Organic Compounds
73 Nilamoni Nath Determination of Configuration of Small Molecules from Residual Chemical Shift Anisotropy (RCSAs) at Microgram Levels
74 Nilamoni Nath Long Range Residual Dipolar Couplings: A Tool for Determining the Configuration of Small Molecules
75 Josep Saurí Development and Application of Homodecoupled 1,1- and 1,n-ADEQUATE to Solve Challenging Structure Elucidation Problems