Title: Exploring the use of Generalized Indirect Covariance to Reconstruct Pure shift NMR Spectra: Current Pros and Cons.
Authors: André Fredi, Pau Nolis, Carlos Cobas, Gary E. Martin and Teodor Parella.
ABSTRACT: 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. Continue reading Exploring the use of Generalized Indirect Covariance to Reconstruct Pure shift NMR Spectra: Current Pros and Cons.
Today we are saying goodbye to our dear Yaoyao, though we hope to see her very soon again.
Yaoyao is currently finishing her PhD on metabonomics applied to clinical biomarkers in the Legido-Quigley Lab at King’s College London (KCL).
She has been visiting us for the last two months, during which we have been working together in two metabonomics projects related to drug misuse biomarkers and chiral metabonomics. It has been a great pleasure for us to spend this time with her and continue with this collaboration from now on.
Yaoyao Wang, visiting PhD student from King’s College London, will be giving a talk on December the 18th at 10:00 h in the SeRMN. Her talk is entitled “Biomarker and metabolomics: a novel approach to detect drug misuse”.
Yaoyao is from Clinical Biomarkers Lab of the Institute of Pharmaceutical Science, King’s College London (KCL). Her PhD project focuses on developing metabolomics approach to identify biomarkers for drug misuse through the analysis of human biofluids samples and the development of data treatment methods, using R (XCMS) and other bioinformatics tools. She has been collaborating intensively with the Drug Control Centre of KCL using LC-MS.
Her talk will include the metabolomics biomarker discovery of low dose salbutamol in urine collected for anti-doping tests and preliminary longitudinal metabolomics study of “date-rape” drug GHB, as well as a glance of the other on-going projects in Clinical Biomarkers Lab.
All interested people are welcome to attend this seminar.
We received a visit from Gustavo Giraldi Shimamoto who is PhD student and technical NMR at University of Campinas (UNICAMP-Brazil). Gustavo was one month (November 2015) in our laboratory learning a little about how our NMR service works, the type of service we provide both to universities and to companies and some of our routine work. In addition, Gustavo learned about pulse sequence, modern NMR experiments as pure-shift and HSQMBC. For us it was a great pleasure to receive and meet Gustavo.
Last 16st July 2015 I defended my PhD Thesis entitled: Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments.
The present doctoral thesis is framed within the Nuclear Magnetic Resonance (NMR) spectroscopy field, more specifically in the design of modern NMR methodologies. The research work carried out is focused on the design and application of new and modern NMR methodologies (i) to perform efficient broadband 1H homodecoupling in 1D/2D NMR experiments and (ii) to accurately determine homo- and heteronuclear coupling constants in isotropic and anisotropic conditions through improved HSQC and HSQMBC-type experiments. The thesis is presented as a compendium ten (10) publications that have been published in several peer-reviewed international scientific journals as original research papers. Continue reading PhD Thesis: Development and application of modern pure shift NMR techniques and improved HSQC and HSQMBC experiments
Some of the SeRMN staff will present our last research works at the annual meeting of the European magnetic resonance community EUROMAR 2015 Conference that will take place from 5th to 10th July in Prague, Czech Republic. Find below a summary of our contributions. Continue reading SeRMN contributions at EUROMAR 2015 Conference
Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments
In the following links one can find Data Set Examples of each Publication presented in the Thesis Work, as well as the corresponding Pulse Program Code for Bruker. All 2D spectra have been previously phased and 2ii, 2ir, and 2ri files removed, otherwise data sets would be too big. Continue reading PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples
Laura Castañar was honoured at the 56th Experimental Nuclear Magnetic Resonance Conference (ENC) with the Ritchey Travel Award for her Ph.D. Thesis research on “Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments”. The award ceremony took place at the After-Dinner Program in Asilomar Conference Center in Pacific Grove, California, USA, the 23th April, 2015.
Continue reading Laura Castañar receives award at ENC 2015
Dates: February 3rd to 6th, 2015
Organized by the SeRMN of the Autonomous University of Barcelona (UAB).
This course combines a comprehensive series of lectures on the technology of Magnetic resonance spectroscopy and imaging (MRS/MRI) with hands-on laboratory sessions to provide practical demonstrations of key concepts and procedures for preclinical studies. Continue reading 9th Workshop on Magnetic Resonance Spectroscopy and Imaging (MRI/MRS) Applied to Laboratory Animals
Workshop on “Spectra Classification and Decision-Support tools in the clinic”
December 3-4, 2014
Universitat Autònoma Barcelona, Spain
The TRANSACT European Project organizes a two-days scientific workshop on “Spectra Classification and Decision-Support tools in the clinic”. The workshop will be held on December 3-4, 2014 at Hotel Campus UAB which is located in the campus of Universitat Autònoma de Barcelona. Continue reading TRANSACT-ITN Scientific Workshop on “Spectra Classification and Decision-Support tools in the clinic”