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SMASH 2016 Poster Abstracts

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