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2024

Feb 28 Molecular Melodies: Unraveling the Hidden Harmonies of NMR Spectroscopy

2023

Mar 30 Direct deduction of chemical class from NMR spectra

2022

Dec 20 Efficiently driving protein-based fragment screening and lead discovery using two-dimensional NMR

Oct 10 A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?

2021

Aug 18 A new strategy for the computer-assisted development of reversed-phase liquid chromatography separation methods of unknown sample mixtures

Aug 13 Application of multiplet structure deconvolution to extract scalar coupling constants from 1D nuclear magnetic resonance spectra

Jul 10 Modeling the natural gas knocking behaviour using gas-phase infrared spectra and multivariate calibration

2020

Aug 30 Fast two-dimensional nuclear magnetic resonance resolution enhancement by use of a Laplacian estimator

Feb 28 A KNIME Workflow for Automated Structure Verification

Feb 11 NMR signal processing, prediction and structure verification with Machine Learning techniques

2019

Dec 05 A Contribution to the Harmonization of Non-targeted NMR Methods for Data-Driven Food Authenticity Assessment

May 21 Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data

2018

Nov 28 Applications of the Whittaker smoother in NMR spectroscopy

Nov 01 NMReDATA, a standard to report the NMR assignment and parameters of organic compounds

2017

Dec 22 LocMAP: A New Localization Method for the Parametric Processing of High Resolution NMR Data

May 23 Enabling fast Pseudo-2D NMR Acquisition for Broadband Homonuclear Decoupling – The EXACT NMR approach

May 02 Computerized Optimization of Liquid Chromatography Separations

Apr 22 ¹J _CH NMR Profile: Identification of Key Structural Features and Functionalities by Visual Observation and Direct Measurement of One-Bond Proton-Carbon Coupling Constants

Apr 17 A robust, general automatic phase correction algorithm for high-resolution NMR data

Jan 17 Autonomous driving in NMR

2016

Dec 22 Validation of NMR fingerprinting methods: effects of processing on measure reproducibility and laboratory performance assessment (ebook)

Dec 21 Assessing Heterogeneity of Osteolytic Lesions in Multiple Myeloma by 1H HR-MAS NMR Metabolomics

Oct 10 Improving the Performance of High-Precision qNMR Measurements by a Double Integration Procedure in Practical Cases

Oct 07 EXtended ACquisition Time (EXACT) NMR – A Case for ′Burst′ Non-Uniform Sampling

Oct 07 Exploring the use of Generalized Indirect Covariance to reconstruct pure shift NMR spectra: Current Pros and Cons

Oct 06 Access to experimentally infeasible spectra by pure-shift NMR covariance

Sep 13 Proton magnetic resonance spectroscopy in oncology: the fingerprints of cancer?

May 10 Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data

2015

Jun 10 Resolution-enhanced 2D NMR of complex mixtures by non-uniform sampling

Apr 30 NMR data visualization, processing, and analysis on mobile devices

Mar 17 Application of 19 F time-domain NMR to measure content in fluorine-containing drug products

Feb 17 An Integrated Approach to Structure Verification Using Automated Procedures

2014

Jun 19 NMR Data Evaluation: Review of Covariance Applications

2013

Aug 23 Automatic assignment of 1H-NMR spectra of small molecules

Apr 12 Optimization and automation of quantitative NMR data extraction

2011

Aug 12 A NMR reverse diffusion filter for the simplification of spectra of complex mixtures and the study of drug receptor interactions

2010

Oct 04 A new approach to improving automated analysis of proton NMR spectra through Global Spectral Deconvolution (GSD)

Jul 26 Fast multidimensional localized parallel NMR spectroscopy for the analysis of samples

2009

Feb 03 Automatic phase correction of 2D NMR spectra by a whitening method

2008

Feb 20 Wavelet-based filtering applied to the diagonal suppression of 2D NMR data sets

2007

Nov 04 Compression of high resolution 1D and 2D NMR data sets using JPEG2000

2006

Aug 07 A new general-purpose fully automatic baseline-correction procedure for 1D & 2D NMR data

2005

Aug 04 New Applications, Processing Methods and Pulse Sequences using Diffusion NMR

Aug 04 A two-stage approach to automatic determination of 1H NMR coupling constants

2004

Aug 04 A homodecoupled diffusion experiment for the analysis of complex mixtures by NMR

Aug 04 A Graphical Tool for the Prediction of Vicinal Proton-Proton 3JHH Coupling Constants

Aug 04 Wavelet-based ultra-high compression of multidimensional NMR data sets

2003

Aug 04 Basic Concepts of Endianness

Aug 04 Nuclear magnetic resonance data processing. MestRe-C: A software package for desktop computers