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Analytical Chemistry

William & Mary

Publication Year

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Full-Text Articles in Physics

Studies Of Molecular Dynamics Of Fmoc Amino Acids Using Solid State Deuteron Nuclear Magnetic Resonance Spectroscopy, Wei Xu Jan 2015

Studies Of Molecular Dynamics Of Fmoc Amino Acids Using Solid State Deuteron Nuclear Magnetic Resonance Spectroscopy, Wei Xu

Dissertations, Theses, and Masters Projects

The purpose of devising and validating models for intramolecular motions for FMOC amino acids is to quantify side chain motion in proteins which plays an important role in understanding biological structure function relations of proteins. In this thesis, spin lattice relaxation times (Ti) of FMOC amino acids were m easured under both static and magic angle spinning (MAS) condition at variable tem peratures. Lower activation energies of the relaxation times than the normal amino acids observed indicate a less sterically crowded environment for the rotation methyl group. A three-site jump model for the methyl group w as developed to fit …


Automated Peak Identification For Time -Of -Flight Mass Spectroscopy, Haijian Chen Jan 2006

Automated Peak Identification For Time -Of -Flight Mass Spectroscopy, Haijian Chen

Dissertations, Theses, and Masters Projects

The high throughput capabilities of protein mass fingerprints measurements have made mass spectrometry one of the standard tools for proteomic research, such as biomarker discovery. However, the analysis of large raw data sets produced by the time-of-flight (TOF) spectrometers creates a bottleneck in the discovery process. One specific challenge is the preprocessing and identification of mass peaks corresponding to important biological molecules. The accuracy of mass assignment is another limitation when comparing mass fingerprints with databases.;We have developed an automated peak picking algorithm based on a maximum likelihood approach that effectively and efficiently detects peaks in a time-of-flight secondary ion …