This advanced PDF explores mass
spectrometry from the computational and algorithmic perspective. Peptide de novo
sequencing, database searching, and comparing mass spectra using significance
testing, such as p-values and E-values, are discussed in this note. It also
covers isotope distributions and fragmentation patterns to shed light on the
mathematical aspects behind its analysis of mass spectrometry data. It reaches
more complex dimensions and discusses issues like glycan sequencing, machine
learning, and decomposition of the isotope pattern. Finally, the note is an
invaluable resource for anyone interested in mass spectrometry and computational
methods, providing a foundation for yet more complicated applications in
bioinformatics and structural biology.
This is a comprehensive note on
X-ray spectroscopy techniques, aimed at detailing their applications in
different fields, with an emphasis on the special applications in nanoparticles
and molecular mechanisms. It begins with the introduction of XRF processes and
techniques followed by high-resolution X-ray spectroscopy using compound
semiconductor detectors and digital pulse processing systems. It also includes
analytic applications of X-ray techniques, including dispersive X-ray
spectroscopy as well as quantification in X-ray fluorescence spectrometry. In
addition, it approaches specialized uses such as time-resolved X-ray absorption
spectroscopy in the study of metalloproteins and the application of soft X-rays
in astrochemistry. The note concludes discussing nanoscale chemical analysis
that highlights energy dispersive X-ray spectroscopy (EDX) and transmission
electron microscopy (TEM) with relevance to the characterization of interfaces
and materials on the nanoscale.
This note presents
an overview of mass spectrometry at an advanced level with specific emphasis on
its utility in chemistry and biochemistry. Fundamental concepts include
ionization, mass analyzers, and dissociation of ions, as well as more advanced
topics like ion mobility and fragmentation. The qualitative and quantitative
analysis using mass spectrometry and the practical applications in various
fields are also considered. This note is designed for advanced students and
professionals aiming to gain insights into the role of mass spectrometry as an
analytical tool, both in theory and practice.