Mass Spectrometry Software
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Mass Spectrometry Software
Mass spectrometry software is used for data acquisition, analysis, or representation in mass spectrometry. Proteomics software In protein mass spectrometry, tandem mass spectrometry (also known as MS/MS or MS2) experiments are used for protein/peptide identification. Peptide identification algorithms fall into two broad classes: database search and ''de novo'' search. The former search takes place against a database containing all amino acid sequences assumed to be present in the analyzed sample. In contrast, the latter infers Protein primary structure, peptide sequences without knowledge of genomic data. Database search algorithms De novo sequencing algorithms De novo peptide sequencing algorithms are, in general, based on the approach proposed in Bartels ''et al.'' (1990). Homology searching algorithms MS/MS peptide quantification Other software See also * Mass spectrometry data format: for a list of mass spectrometry data viewers and format converters. * List of ...
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Mass Spectrometry
Mass spectrometry (MS) is an analytical technique that is used to measure the mass-to-charge ratio of ions. The results are presented as a ''mass spectrum'', a plot of intensity as a function of the mass-to-charge ratio. Mass spectrometry is used in many different fields and is applied to pure samples as well as complex mixtures. A mass spectrum is a type of plot of the ion signal as a function of the mass-to-charge ratio. These spectra are used to determine the elemental or isotopic signature of a sample, the masses of particles and of molecules, and to elucidate the chemical identity or structure of molecules and other chemical compounds. In a typical MS procedure, a sample, which may be solid, liquid, or gaseous, is ionization, ionized, for example by bombarding it with a Electron ionization, beam of electrons. This may cause some of the sample's molecules to break up into positively charged fragments or simply become positively charged without fragmenting. These ions (fragmen ...
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Cluster (computing)
A computer cluster is a set of computers that work together so that they can be viewed as a single system. Unlike Grid computing, grid computers, computer clusters have each Node (networking), node set to perform the same task, controlled and scheduled by software. The newest manifestation of cluster computing is cloud computing. The components of a cluster are usually connected to each other through fast local area networks, with each Node (networking), node (computer used as a server) running its own instance of an operating system. In most circumstances, all of the nodes use the same hardware and the same operating system, although in some setups (e.g. using Open Source Cluster Application Resources (OSCAR)), different operating systems can be used on each computer, or different hardware. Clusters are usually deployed to improve performance and availability over that of a single computer, while typically being much more cost-effective than single computers of comparable s ...
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National Institute Of Standards And Technology
The National Institute of Standards and Technology (NIST) is an agency of the United States Department of Commerce whose mission is to promote American innovation and industrial competitiveness. NIST's activities are organized into Outline of physical science, physical science laboratory programs that include Nanotechnology, nanoscale science and technology, engineering, information technology, neutron research, material measurement, and physical measurement. From 1901 to 1988, the agency was named the National Bureau of Standards. History Background The Articles of Confederation, ratified by the colonies in 1781, provided: The United States in Congress assembled shall also have the sole and exclusive right and power of regulating the alloy and value of coin struck by their own authority, or by that of the respective states—fixing the standards of weights and measures throughout the United States. Article 1, section 8, of the Constitution of the United States, ratified i ...
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Vanderbilt University Medical Center
The Vanderbilt University Medical Center (VUMC) is a medical provider with multiple hospitals in Nashville, Tennessee, as well as clinics and facilities throughout Middle Tennessee. VUMC is an independent non-profit organization, but maintains academic affiliations with Vanderbilt University. As of 2023, the health system had more than 3 million patient visits a year, a workforce of 40,000, and 1,741 licensed hospital beds. Overview VUMC comprises the following units: * Vanderbilt University Adult Hospital * Monroe Carell Jr. Children's Hospital at Vanderbilt * Vanderbilt-Ingram Cancer Center * The Vanderbilt Clinic * Vanderbilt Bill Wilkerson Center * Vanderbilt Stallworth Rehabilitation Hospital * Vanderbilt Psychiatric Hospital * Eskind Biomedical Library * Vanderbilt Sports Medicine * Dayani Human Performance Center * Vanderbilt Heart & Vascular Institute *Nashville Biosciences (''aka'' NashBio), a subsidiary spun out from the university in 2018 VUMC also has hospitals, ...
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Electrospray Ionization
Electrospray ionization (ESI) is a technique used in mass spectrometry to produce ions using an electrospray in which a high voltage is applied to a liquid to create an aerosol. It is especially useful in producing ions from macromolecules because it overcomes the propensity of these molecules to fragment when ionized. ESI is different from other ionization processes (e.g. matrix-assisted laser desorption/ionization, MALDI) since it may produce multiple-charged ions, effectively extending the mass range of the analyser to accommodate the kDa-MDa orders of magnitude observed in proteins and their associated polypeptide fragments. Mass spectrometry using ESI is called electrospray ionization mass spectrometry (ESI-MS) or, less commonly, electrospray mass spectrometry (ES-MS). ESI is a so-called 'soft ionization' technique, since there is very little fragmentation. This can be advantageous in the sense that the molecular ion (or more accurately a pseudo molecular ion) is almost alw ...
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Pacific Northwest National Laboratory
Pacific Northwest National Laboratory (PNNL) is one of the United States Department of Energy national laboratories, managed by the Department of Energy's (DOE) Office of Science. The main campus of the laboratory is in Richland, Washington, with additional research facilities around the country. Originally named the Pacific Northwest Laboratory, PNL was established in 1965 when research and development at the Hanford Site was separated from other Hanford operations. In 1995, the laboratory was renamed the Pacific Northwest National Laboratory (PNNL). Research facilities The Environmental Molecular Sciences Laboratory (EMSL) is a U.S. Department of Energy national scientific user facility. EMSL provides researchers around the world with integrated capabilities in oxide and mineral interface chemistry, high-performance computing and computational chemistry software, mass spectrometry, high-field magnetic resonance, and subsurface flow and transport research. The Biopr ...
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Glycoproteomics
Glycoproteomics is a branch of proteomics that identifies, catalogs, and characterizes proteins containing carbohydrates as a result of post-translational modifications. Glycosylation is the most common post-translational modification of proteins, but continues to be the least studied on the proteome level. Mass spectrometry (MS) is an analytical technique used to improve the study of these proteins on the proteome level. Glycosylation contributes to several concerted biological mechanisms essential to maintaining physiological function. The study of the glycosylation of proteins is important to understanding certain diseases, like cancer, because a connection between a change in glycosylation and these diseases has been discovered. To study this post-translational modification of proteins, advanced mass spectrometry techniques based on glycoproteomics have been developed to help in terms of therapeutic applications and the discovery of biomarkers. Mass spectrometry Mass spectromet ...
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University Of Michigan
The University of Michigan (U-M, U of M, or Michigan) is a public university, public research university in Ann Arbor, Michigan, United States. Founded in 1817, it is the oldest institution of higher education in the state. The University of Michigan is one of the earliest American research universities and is a founding member of the Association of American Universities. In the fall of 2023, the university employed 8,189 faculty members and enrolled 52,065 students in its programs. The university is Carnegie Classification of Institutions of Higher Education, classified among "R1: Doctoral Universities – Very high research activity". It consists of nineteen colleges and offers 250 degree programs at the undergraduate and graduate levels. The university is Higher education accreditation in the United States, accredited by the Higher Learning Commission. In 2021, it ranked third among American universities in List of countries by research and development spending, research expe ...
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Label-free Quantification
Label-free quantification is a method in mass spectrometry that aims to determine the relative amount of proteins in two or more biological samples. Unlike other methods for protein quantification, label-free quantification does not use a stable isotope containing compound to chemically bind to and thus label the protein. Implementation Label-free quantification may be based on precursor signal intensity or on spectral counting. The first method is useful when applied to high precision mass spectra, such as those obtained using the new generation of time-of-flight (ToF), fourier transform ion cyclotron resonance (FTICR), or Orbitrap mass analyzers. The high-resolution power facilitates the extraction of peptide signals on the MS1 level and thus uncouples the quantification from the identification process. In contrast, spectral counting simply counts the number of spectra identified for a given peptide in different biological samples and then integrates the results for all measu ...
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University Of Wisconsin-Madison
A university () is an institution of tertiary education and research which awards academic degrees in several academic disciplines. ''University'' is derived from the Latin phrase , which roughly means "community of teachers and scholars". Universities typically offer both undergraduate and postgraduate programs. The first universities in Europe were established by Catholic monks. The University of Bologna (), Italy, which was founded in 1088, is the first university in the sense of: *being a high degree-awarding institute. *using the word (which was coined at its foundation). *having independence from the ecclesiastic schools and issuing secular as well as non-secular degrees (with teaching conducted by both clergy and non-clergy): grammar, rhetoric, logic, theology, canon law and notarial law.Hunt Janin: "The university in medieval life, 1179–1499", McFarland, 2008, , p. 55f.de Ridder-Symoens, Hilde''A History of the University in Europe: Volume 1, Universities in the M ...
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Institute Of Genomics And Integrative Biology
CSIR Institute of Genomics and Integrative Biology (CSIR-IGIB) is a scientific research institute devoted primarily to biological research. It is a part of Council of Scientific and Industrial Research (CSIR), India. The institute was founded in 1977 as the Center for Biochemical Technology with a primary focus on biochemical research, but has since shifted its research focus to integrative biology. Location The Institute has two campuses in Delhi. The North Campus is the older of the two campuses and is in the campus of Delhi University, on Mall Road opposite to Jubilee Hall. The new campus is in South Delhi, on Mathura Road at Sukhdev Vihar. History IGIB was established in 1977 as the Center for Biochemical Technology (CBT). The Functional Genomics Unit was established in 1998 with the focus shifting from chemical to genomics research. The institute was renamed "Institute of Genomics and Integrative Biology" in 2002. Samir K. Brahmachari served as the founder director, ...
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Scoring Rule
In decision theory, a scoring rule provides evaluation metrics for probabilistic forecasting, probabilistic predictions or forecasts. While "regular" loss functions (such as mean squared error) assign a goodness-of-fit score to a predicted value and an observed value, scoring rules assign such a score to a predicted probability distribution and an observed value. On the other hand, a scoring function provides a summary measure for the evaluation of point predictions, i.e. one predicts a property or Functional (mathematics), functional T(F), like the Expected value, expectation or the median. Scoring rules answer the question "how good is a predicted probability distribution compared to an observation?" Scoring rules that are (strictly) proper are proven to have the lowest expected score if the predicted distribution equals the underlying distribution of the target variable. Although this might differ for individual observations, this should result in a minimization of the expect ...
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