Mass Spectrometry

Mass spectrometry can be used in different applications of biology, chemistry, physics and clinical medicine space exploration. It is used to determine the molecular weight of compounds by separating molecular ions based on their mass and charge. Various types of mass spectrometry being increasingly utilized as tools in the clinical laboratory, but also in different research settings.

Applications:

Mass Spectrometry applications are plenty and a growing more presence in laboratory medicine and are being used in an increasing number of clinical laboratories around the world. As a result, significant improvements in assay performance are occurring rapidly in areas such as toxicology, proteomics, endocrinology, biochemical markers, pharmaceutical industry, Chromatography, Clinical drug development, forensic analysis, petroleum, Space Science, astrobiology, atmospheric chemistry, food analysis, industry and environmental analysis.

Techniques and Some Applications:

Isotope dating and tracing

Measuring gasses in solution

Trace gas analysis

Atom probe

Pharmacokinetics

Protein characterization

Space exploration

Respired gas monitor

Preparative mass spectrometry

Spectroscopy or spectrography both the terms referred to the measurement of radiation intensity and function of wavelength which are used to describe spectroscopic experimental methods. spectrometers, spectrophotometers, spectrographs or spectral analyzers are some of the devices. observation of color can be related to spectroscopy Neon lighting is a direct application of atomic spectroscopy and spectral characteristics generate specific colors and hues.

These Spectroscopic studies included Max Planck's explanation of blackbody radiation, Albert Einstein's explanation of the photoelectric effect and Niels Bohr's explanation of atomic structure and spectra which are used in developing the quantum mechanics. Spectroscopy is used in physical and analytical chemistry because atoms and molecules have unique spectra which is used to detect, identify and quantify. Spectroscopy is also used in astronomy and remote sensing. Telescopes have spectrographs which are used in determining the chemical composition and physical properties of astronomical objects.

Types of spectroscopy

Absorption spectroscopy, Emission spectroscopy, Elastic scattering and reflection spectroscopy, Crystallography, Impedance spectroscopy, Raman and Compton scattering, Coherent or resonance spectroscopy, Nuclear magnetic resonance (NMR) spectroscopy, Fourier-transform spectroscopy, Spectrophotometry which are more frequently used inn chemical analysis and chemistry labs.

Other spectroscopy methods used in various fields includes:

Acoustic resonance spectroscopy

Auger electron spectroscopy is a method used to study surfaces of materials and used in electron microscopy.

Cavity ring-down spectroscopy

Circular Dichroism spectroscopy

Cold vapour atomic fluorescence spectroscopy

Correlation spectroscopy

Deep-level transient spectroscopy

Dielectric spectroscopy

Electron energy loss spectroscopy

Electron phenomenological spectroscopy

Electron paramagnetic resonance spectroscopy

Force spectroscopy

Hadron spectroscopy

Baryon spectroscopy and meson spectroscopy are types of hadron spectroscopy

Laser spectroscopy

Neutron spin echo spectroscopy

Photoacoustic spectroscopy

Photoemission spectroscopy

Photothermal spectroscopy

Pump-probe spectroscopy

Saturated spectroscopy

Scanning tunneling spectroscopy

Time-stretch spectroscopy

Thermal infrared spectroscopy

Transient grating spectroscopy

Ultraviolet photoelectron spectroscopy

Ultraviolet–visible spectroscopy

Vibrational circular dichroism spectroscopy

Video spectroscopy

X-ray photoelectron spectroscopy

Chromatography is a method of separating the compounds from a mixture. This mixture dissolved in fluid will be mobile phase and the material which is holding structure is known as stationary phase. This technique is mostly used in analytical, preparative, industries and in laboratories as well. Chromatography is a physical technique which has a vast application in chemical field from basic analytical chemistry to forensic science.

There is a continues advances in improving the technical performance of chromatography that are allowing the separation increase in similarly molecules. Chromatography has also been involved in a method for testing the potency of cannabis.

Some of chromatography techniques:

Column Chromatography

Paper Chromatography

Thin Layer Chromatography (TLC)

Gas Chromatography

Absorption Chromatography

Displacement Chromatography

Supercritical Fluid Chromatography

High Performance Liquid Chromatography (HPLC)

Expanded Bed Adsorption (EBA) Chromatography

 

Special techniques:

Reversed-phase chromatography

Chiral chromatography

Simulated moving-bed chromatography

Periodic counter-current chromatography

Countercurrent chromatography

Pyrolysis gas chromatography

Hydrophobic interaction chromatography

Fast protein liquid chromatography

Two-dimensional chromatography

Aqueous normal-phase chromatography

Proteomics is the analysis and study of proteins. The proteome is set of proteins that is produced or modified by an organism or any system that enables the identification of every increase in numbers of protein. It is highly benefitted for genetic information of various genome projects that includes the human Genome. The exploring of proteomes from all level of composition, structure and activity. It is an important component of functional genomics but often used specifically to protein purification and mass spectrometry.

Applications of proteomics

The major application is to study of human genes and proteins for the identification of potential new drugs for the treatment of diseases. Genome and Proteome information is to detect the proteins associated with a disease. Proteomics is also used in plant and insect interactions which helps to identify the genes involved in the defensive response of plants to herbivory. The human plasma proteome has become a major goal in the proteomics arena. proteome to generate a diagnostic tool since cancer is associated with glycosylation of proteins and the technological advancements and continuous developments seem to result in effect of such a common life style on the plasma proteome. These cell types, tissue types and species are particularly using deep mass spectrometry which is a resource for research in fields like cancer biology, developmental and stem cell biology, medicine and evolutionary biology.

Analytical chemistry is the study of obtaining, processing, and communicating information about the composition and structure of matter and uses instruments and methods used to separate, identify, and quantify matter. separation, identification or quantification are combined with another method which are in practice for whole analysis. Analytical chemistry consists of classical, wet chemical methods and modern, instrumental methods of identification are based on differences in color, odor, melting point, boiling point, radioactivity or reactivity. Instrumental methods can use to separate samples using chromatography, electrophoresis or field flow fractionation. Analytical chemistry is also focused on improvements in experimental design, chemometrics, and the creation of new measurement tools. It is used in various applications of forensics, medicine, science and engineering.

Capillary electrophoresis (CE) is a separation method of electro-kinetic which is used in performing in submillimeter diameter capillaries and in micro- nanofluidic channels. The techniques include capillary gel electrophoresis, capillary isoelectric focusing, capillary isotachophoresis and micellar electrokinetic chromatography. In these methods under the influence of an electric field and often separated according to ionic mobility or partitioning into an alternate phase through the non-covalent interactions. The main application of capillary electrophoresis in forensic science for amplification and detection of the DNA fragments using polymerase chain reaction which lead to rapid advances in DNA typing in forensic and DNA separations are carried out using thin CE.

Forensic sample the biologist is typing of STR from biological samples is to generate highly polymorphic genetic markers which differ between individuals. The detection of specific mRNA fragments to help identify the biological fluid or tissue. It is also used in ink analysis counterfeiting of documents. Micellar electrophoretic capillary chromatography (MECC) has been developed and applied to the analysis of inks containing several similar substances of chemicals and the inks used can also be distinguished.

Mass spectrometers are the instrument that produces ions and separate them according to their mass to charge ratios (m/z). This can be achieved by changing the other magnetic or any electric field at the magnetic field or both.

Components of Mass Spectrometer

Inlet System introduces a very small amount of sample into the mass spectrometer

Ion Sources basically know as ionizing agents  

Mass Analyzers are the agents are obtained by applying the magnetic field in the direction perpendicular to the direction of motion of ions. Some of the analyzers includes Gas phase Electron Impact (EI), High potential electrode Desorption Field Desorption (FD), Reagent gaseous ions Field Ionization (FI), Energetic electrons Chemical Ionization (CI) High potential electrode Matrix Assisted Laser Desorption Ionization (MALDI) Laser beam Fast Atom Bombardment (FAB).

Detectors these are used to compare the velocity of light ions and the heavier ions and by changing either the accelerating voltage or the magnetic field the radius of the ion path can be changed.

Vacuum system are the turbomolecular pumps which are used in many mass spectrometers for operating the high vacuums.

Some of Analyzers:

Double Focusing Spectrometer

Quadrapole Mass Analyzer

Time of flight Mass Analyzer

Ion trap Analyzers

BEqQ Hybrid Mass Spectrometer

Q-TOF Hybrid Mass Spectrometer

Mass spectrometry (MS) is an analytical tool with many applications in pharmaceutical and biomedical field. The increase in sensitivity and resolution of the instruments has increased the analysis of pharmaceuticals, complex metabolites of biological systems. The accuracy in detecting the molecular weight of compounds by using the MS and through which we can anticipate the molecular formulas. Biochemical applications of mass spectrometry (MS) are important in the pharmaceutical industry. MS techniques have been well adapted and are now the preferred choice for many applications in pharmaceutical development. MS technology has evolved as emerging tool for many applications in drug development and Discoveries.

Stages Drug Development:

Drug discovery

Pre-Clinical Development

Clinical development

Manufacture

Mass Spectrometry is more considered as the most sensitive detector which is typically coupled with other technologies such as High-Performance Liquid Chromatography (HPLC), Ion Chromatography (IC), Ion Mobility Spectrometry (IMS), Gas Chromatography (GC) etc., these techniques are more used in drug development due to their speed, sensitivity and selectivity.

The multiple steps of mass spectrometry selection where occurrence of some fragmentations in the stages of Mass Spectrometry is known as Tandem mass spectrometry. It can be known as MS2. There are different type tandem mass spectrometers such as triple stage quadrupoles, quadrupole/time-of-flight, quadrupole-linear ion trap hybrid instruments, time-of-flight-time-of-flight. It uses in Peptides sequencing, Oligosaccharides sequencing, glycolipids sequencing. It is used for the analysis of biomolecules (proteins and peptides).

Organic Chemistry is a brunch of chemistry related with structure properties, and reactions of organic compound and materials. Mass spectrometry is a very useful method for the determination of the structure of organic compounds. Mass Spectrometry analysis the molecular mass of higher energy organic compound. Mass Spectrometry is used to determine the stature of natural product, organic compound, that is helpful in chemical reactions. Accelerator mass spectrometry (AMS) is the technique used in organic chemistry and it accelerates ions to remarkable high kinetic energies prior to mass analysis. Among the MS methods these AMS has the power to separate a rare isotope from an abundant neighboring mass in which it betters the competing technique of decay counting for all the isotopes.

Mass Spectrometry is an analytic technique having high accuracy and growing use in laboratory medicine. MS technology in clinical laboratories is used for monitoring of drug therapy, identifying drug toxicity, Disease screening, diagnosis of disease and metabolic disorders, poisoning and discover of new biomarkers. The combination of MS with Liquid Chromatography (LC-MS), Matrix-Assisted Laser Desorption/Ionization (MALDI), Gas Chromatography (GC-MS) and Time-Of-Flight (TOF MS). Mass Spectrometry has overcome the issues associated with immunoassays. The test carried in clinical laboratory using Mass Spectrometry will become routine diagnostic tools in the clinical laboratories and there is a vast usage of Mass Spectrometry and the brief discussion ends with new development methods in clinical diagnostics.

Environmental Analysis is referring to the part of chemistry which relate with environment. The process examines all the internal or external components, which has an influence on the performance of the organization. The steps involved in environmental analysis Identifying, Scanning, Analyzing, Forecasting. Mass Spectrometry is a technical platform for analysis of environmental chemicals. It helps is several ways Protect Human Health by Detecting Environmental Contaminants, Persistent Organic Pollutants, Emerging Contaminants from Emerging to Emerged. The challenging issues would be finding the contaminants before the impact our food chain is occurred. Xevo Mass Spectrometry allows us to create available, valid methods and maintenance compliance with a regulatory in analytical methods.

Contaminant Analysis:

Anion Analysis

Metal Analysis

Cation Analysis

Protein Mass Spectrometry is the method of identification of various proteins. Mass spectrometry is the important method to measure accurate mass and characterization in proteins. There are two method of ionization of electrospray ionization (ESI) and matrix assistant laser desorption (MALDI) and these techniques are used in coexistence with mass analyzers such as tandem mass spectrometry. Protein synthesis is important in human life and these molecules work as catalyze in biochemical reactions. For example, Hormones are a kind of protein which makes cell to cell connections which regulate the body function. Mass Spectrometry help to protein synthesis which has a huge functioning on human body.

Applications of Protein in Mass Spectrometry

Identification of Protein

Quantitation of Protein

Structure determination in protein

Biomarkers

Proteogenomics

Mass spectrometry imaging (MSI) is a technique used to visualize the involves in distribution of molecules as biomarkers, metabolites, peptides or proteins by their molecular mass. Although widely used traditional methodologies like radiochemistry and immunohistochemistry achieve the same goal as MSI as they are limited abilities to analyze multiple samples at once. MSI considers as a qualitative method and signal generated through this technique is proportional to the relative of analyte of the compound.

Ionization Techniques of MSI:

DESI Imaging

MALDI Imaging

SIMS Imaging

Secondary Ion Mass Spectrometry Imaging

Laser Ablation Electrospray Ionization (LAESI)

Inductively Coupled Plasma Mass Spectrometry (ICP-MS)

Spectroscopy is the study of communication between particles and electromagnetic radiation where it involves scattering, absorption, reflection or transmission of materials. The intensity of interaction between these materials gives the data about the physical properties of the substance. This track deals with various spectroscopy techniques which act as a basic analysis before separation. The various spectroscopic techniques along with improved Hyphenated techniques developed using spectroscopy.

Techniques Involved:

Mass spectroscopy

X-ray photoelectron spectroscopy

Optical Spectroscopy

Ultraviolet and visible absorption spectroscopy

Raman spectroscopy

Nuclear magnetic resonance spectroscopy

Atomic Emission Spectroscopy (AE)

Atomic absorption spectroscopy (AA)

Spark or arc (emission) spectroscopy

Laser induced bombardment spectroscopy

Infrared absorption spectroscopy

Forensic Analysis is the combination of sciences with the criminal activities. Mass Spectrometry is the most important technique used in toxicological for forensic analysis. MS coupled with chromatography techniques such as liquid chromatography and gas chromatography which are used to identify new drugs, metabolites by screening analysis which provides with efficient results in detection. It is fast and highly sensitive analytical technique to hide and identify the unknown substances from different sources. There is necessary to develop more innovative methodologies to reduce the process of time consumption. Mass Spectrometry techniques are also used in finding the evidences in explosions where it allows detection in tiny materials from the completely destroyed.

Drugs (Forensic Toxicology)

Flammable Liquids (Arson Investigations)

Explosive Residues

Ionization is a chemical technique used in mass spectrometry. it deals with the ion-molecular chemistry. Gas molecules are ionized by electron ionization where the reactions are carried through the gas phase with analyte molecules to achieve ionization. Proteins, peptides, oligosaccharide are the compounds which are analyzed by Mass Spectrometer. These applications of ionization techniques are extended to biochemical, biological and medicinal fields also.

Ionization Techniques:

Electron Impact Ionization (EI)

Matrix Assisted Laser Desorption Ionization (MALDI)

Fast Atom Bombardment (FAB)

Electrospray Ionization (ESI)

Atmospheric Pressure Chemical Ionization (APCI)

Chemical Ionization (CI)

Field Ionization

Laser Ionization Mass Spectrometry (LIMS)

Plasma Desorption Ionization (PD)

Resonance Ionization Mass Spectrometry (RIMS)

Secondary Ionization Mass Spectrometry (SIMS)

Spark Source

Thermal Ionization (TIMS)

Mass spectrometry is an analysis which determine where the required molecules makes a sample ion based on spectrum. Mass Spectrometers can analyze a small amount of samples at once where the diagnostic is carried out. Mass Spectrometry acts as profile of drugs where microdoses are given in sense predicts the adverse effects of the drug while allows scientists to determine the reactions takes place in the human body.

For drug development these techniques are used along with Mass Spectrometry High-Performance Liquid Chromatography (HPLC), Ion Chromatography (IC), Ion Mobility Spectrometry (IMS), Gas Chromatography (GC) etc., these techniques are more used in drug development due to their speed, sensitivity and selectivity.

Analysis of metabolites and proteins has utilization of MS as this technology rapidly enters the medical field where professionals and students can take advantage of its capabilities. It would go a long way to help the utilization of mass spectrometry in medicine.

Pharmacokinetics is a branch of pharmacology of determining the destiny of substances responsible to living organism. It is the study how an organism gets affected with a drug. These substances may include any chemical xenobiotic pharmaceutical drugs, pesticides, food additives, cosmetics etc.,

Models of Pharmacokinetic:

LADME Model

Compartmental analysis

Single-compartment model

Multi-compartmental models

Noncompartmental analysis

Variable volume in time models

Clinical pharmacokinetics

Population pharmacokinetics

Mass spectrometry experimentally high which calculates the molecules by their mass-to-charge ratio.it is composed of sample preparations, molecular ionizations, detections and instrumentation. MS provides high accuracy measurements. The data analysis techniques carried out ion mass analyzers which involves in X-axis Y-axis measurements and involves in standard transformations.

The combination of Mass Spectrometry with software in making raw data and processing the results. The data gains provides an overview to general analysis approaches, software tools and repositories afforded by new softwares. These latest techniques of latest updated generation of software helps in identifying, validating in better ways.

Mass Spectra Data Formats:

mzData

mzXML

mzML

Advances in Proteomics Data Analysis

Premalignant Pancreatic Cancer Analysis

Mass Spectrometry Data Mining

Significance Analysis of Microarrays