[PDF] A Study In Nmr Signal Processing And The Development Of Software To Implement Constrained Deconvolution Of Nuclear Magnetic Resonance Files eBook

Author : Markus Niklasson
Publisher :
Page : 0 pages
File Size : 39,44 MB
Release : 2017
Category :
ISBN :

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Regardless of scientific field computers have become pivotal tools for data analysis and the field of structural biology is not an exception. Here, computers are the main tools used for tasks including structural calculations of proteins, spectral analysis of nuclear magnetic resonance (NMR) spectroscopy data and fitting mathematical models to data. As results reported in papers heavily rely on software and scripts it is of key importance that the employed computational methods are robust and yield reliable results. However, as many scientific fields are niched and possess a small potential user base the task to develop necessary software often falls on researchers themselves. This can cause divergence when comparing data analyzed by different measures or by using subpar methods. Therein lies the importance of development of accurate computational methods that can be employed by the scientific community. The main theme of this thesis is software development applied to structural biology, with the purpose to aid research in this scientific field by speeding up the process of data analysis as well as to ensure that acquired data is properly analyzed. Among the original results of this thesis are three user-friendly software: COMPASS - a resonance assignment software for NMR spectroscopy data capable of analyzing chemical shifts and providing the user with suggestions to potential resonance assignments, based on a meticulous database comparison. CDpal - a curve fitting software used to fit thermal and chemical denaturation data of proteins acquired by circular dichroism (CD) spectroscopy or fluorescence spectroscopy. PINT - a line shape fitting and downstream analysis software forNMRspectroscopy data, designed with the important purpose to easily and accurately fit peaks in NMR spectra and extract parameters such as relaxation rates, intensities and volumes of peaks. This thesis also describes a study performed on variants of the life essential regulatory protein calmodulin that have been associated with the congenital life threatening heart disease long QT syndrome (LQTS). The study provided novel insights revealing that all variants are distinct from the wild type in regards to structure and dynamics on a detailed level; the presented results are useful for the interpretation of results from protein interaction studies. The underlying research of this paper makes use of all three developed software, which validates that all developed methods fulfil a scientific purpose and are capable of producing solid results.

Author : Hector C Keun
Publisher : Royal Society of Chemistry
Page : 384 pages
File Size : 40,9 MB
Release : 2018-01-17
Category : Medical
ISBN : 184973643X

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This book describes the state of the art in the application of NMR spectroscopy to metabolomics and will be a key title for researchers and practitioners.

Author : Petrus Johannes Dirken
Publisher : Faculteit Aardwetenschappen Universiteit Utrecht
Page : 92 pages
File Size : 37,62 MB
Release : 1994
Category : Science
ISBN :

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Met een samenvatting in het Nederlands

Author :
Publisher :
Page : 10 pages
File Size : 32,49 MB
Release : 1995
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This paper describes a nuclear magnetic resonance (NMR) system that uses an adaptive algorithm to carry out real-time NMR spectroscopy. The system employs a digital signal processor (DSP) chip to regulate the transmitted and received signal together with spectral analysis of the received signal to determine free induction decay (FID). To implement such a signal-processing routine for detection of the desired signal, an adaptive line enhancer filter that uses an anti-Hebbian learning algorithm is applied to the FID spectra. The results indicate that the adaptive filter can be a reliable technique for on-line spectroscopy study.

Author : Yutaka Ito
Publisher : Royal Society of Chemistry
Page : 322 pages
File Size : 16,13 MB
Release : 2019-12-09
Category : Science
ISBN : 1839160934

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In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.

Author : Bernhard Blümich
Publisher : Walter de Gruyter GmbH & Co KG
Page : 305 pages
File Size : 45,59 MB
Release : 2014-08-22
Category : Technology & Engineering
ISBN : 3110374587

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The goal of this book is to provide an introduction to the practical use of mobile NMR at a level as basic as the operation of a smart phone. Each description follows the same didactic pattern: introduction, basic theory, pulse sequences and parameters, beginners-level measurements, advanced-level measurements, and data processing. Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue depicting the brain function and the beating heart. In both applications large super-conducting magnets are employed which magnetize atomic nuclei of an object positioned inside the magnet. Their circulating motion is interrogated by radio-frequency waves. Depending on the operating mode, the frequency spectrum provides the chemist with molecular information, the medical doctor with anatomic images, while the materials scientist is interested in NMR relaxation parameters, which scale with material properties and determine the contrast in magnetic resonance images. Recent advances in magnet technology led to a variety of small permanent magnets, by which NMR spectra, images, and relaxation parameters can be measured with mobile and low-cost instruments.