Lewis R.J.,Astrazeneca |
Bernstein M.A.,Astrazeneca |
Bernstein M.A.,Mestrelab Research |
Chang H.-F.,Astrazeneca |
And 2 more authors.
Tetrahedron Asymmetry | Year: 2013
The NMR spectra of separate samples of an analyte complexed with each enantiomer of a chiral solvating agent (CSA) give an accurate estimate of the chemical shifts of racemic analytes in the presence of a single enantiomer of the CSA. This effect allows a CSA-based chiral NMR method to be developed when only a single enantiomer of analyte is available. The ability to develop a method capable of discriminating between enantiomers in these circumstances is useful, for example, to resolve the question of whether racemization has occurred during the synthesis of a chiral molecule. © 2013 Elsevier Ltd. All rights reserved.
Fredi A.,Autonomous University of Barcelona |
Nolis P.,Autonomous University of Barcelona |
Cobas C.,Mestrelab Research |
Martin G.E.,Merck And Co. |
Parella T.,Autonomous University of Barcelona
Journal of Magnetic Resonance | Year: 2016
The current Pros and Cons of a processing protocol to generate pure chemical shift NMR spectra using Generalized Indirect Covariance are presented and discussed. The transformation of any standard 2D homonuclear and heteronuclear spectrum to its pure shift counterpart by using a reference DIAG spectrum is described. Reconstructed pure shift NMR spectra of NOESY, HSQC, HSQC-TOCSY and HSQMBC experiments are reported for the target molecule strychnine. © 2016 Elsevier Inc. All rights reserved.
Garcia-Figueiras R.,Hospital Clinico Universitario Of Santiago Of Compostela |
Baleato-Gonzalez S.,Hospital Clinico Universitario Of Santiago Of Compostela |
Padhani A.R.,Paul Strickland Scanner Center |
Oleaga L.,Hospital Clinic Barcelona |
And 4 more authors.
Diagnostic and Interventional Radiology | Year: 2016
Abnormal metabolism is a key tumor hallmark. Proton magnetic resonance spectroscopy (1H-MRS) allows measurement of metabolite concentration that can be utilized to characterize tumor metabolic changes. 1H-MRS measurements of specific metabolites have been implemented in the clinic. This article performs a systematic review of image acquisition and interpretation of 1H-MRS for cancer evaluation, evaluates its strengths and limitations, and correlates metabolite peaks at 1H-MRS with diagnostic and prognostic parameters of cancer in different tumor types. © Turkish Society of Radiology 2016.
Mestrelab Research | Date: 2008-01-24
Computer programs for the operation and control of nuclear magnetic resonance; computer programs for increasing nuclear magnetic resonance data analysis productivity and flexibility; computer application software for tablet computers, namely, software for use in database management.
Mestrelab Research | Date: 2006-06-13
Computer software for the collection, editing, processing, organizing, modifying, bookmarking, transmission, storage and sharing of data and information in the field of scientific research for commercial and academic applications.