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applications of spectrophotometry in pharmaceutical field

Oxidation of a tertiary amino group to form an N-oxide is an important biotransformation pathway for many drugs and xenobiotics. Recent research has looked into the possible applications of mass spectrometers in biomedical field. Mass spectroscopy coupled with gas chromatography emerged as an indispensable tool in forensic field as well as LC–MS has also wide utility in forensic study. This paper draws attention to the fact that derivative treatment continues to be a promising tool for analysis of spectra composed of unresolved bands as it provides selective, validated, simple and cost effective analytical methods. It is based on the conversion of the sample into ionized state, with or without fragmentation which are then identified by their mass-to-charge ratios (m/e). history and applications of near infrared spectroscopy The discovery of the infrared region in 1800 is credited to William F. Hershel's famous work, "Experiments on the Refrangibility of the Invisible Rays of the Sun", read April 24, 1800 at the Royal Society, Phil. In any disease condition, the chemistry of body changes which results in the changes in products in body fluids and excretion products can be detected for the diagnosis purpose by chromatographic instrument like gas chromatography equipped with mass spectroscopy [18]. For many years, GC–MS has been used but LC–MS has also been used for qualitative analysis of bile acids. APPLICATIONS OF IR SPECTROSCOPY Infrared spectroscopy is widely used in industry as well as in research. Positively charged molecule M+ is often unstable, and with increase in energy (10–70 eV) according to bond strength, they break into fragments called fragment or daughter ion which is denoted by M+1. It does this by diffracting the light beam into a spectrum of wavelengths, detecting the intensities with a charge-coupled device, and displaying the results as a graph on the detector and then on the display device. The mass analyzer tube is the most important part on which a range of the mass spectrometer depends. The spectrophotometer is utilized for research and data evaluation in different scientific fields. For more accurate results, the instrument's response to the analyte in the unknown should be compared with the response to a standard; as in the case of calibration curve. This technique can precisely identify even those bacteria which are difficult by conventional methods and that day is not far away when this technology will complement the conventional microbiologic identification methods. The analysis of sulfated heparin-like glycosaminoglycan oligosaccharides was done with the help of tandem mass spectroscopy (MS/MS) using quadrupole ion trap mass spectrometer and quadrupole orthogonal acceleration time-of-flight mass spectrometer, and their fragmentation pattern was also studied. It is also employed in forensic analysis in civil and criminal analysis. Compared with other techniques, mass spectroscopy is only the technique for molecular weight determination, through which we can predict the molecular formula. Base peak: It is the most intense peak of the mass spectrum. Mass spectrometer mainly consists of following components: The inlet system transfers the gaseous form of sample into the vacuum of the ion generation chamber of mass spectrometer. Help us write another book on this subject and reach those readers. Combination of TOF with one (Q-TOF) or two quadrupoles (Qq-TOF) is emerged as hybrid mass spectrometers that are able to cover unlimited mass range with high scan rates up to 106 u/s and high resolving power. Licensee IntechOpen. Similarly, a method was developed for determining common drugs of abuse in body fluids using liquid chromatography-atmospheric pressure chemical ionization mass spectrometry (LC-APCI-MS). For group VII elements (F, Cl, Br, I): The removal of one hydrogen atom is required with each added element. A new technique was developed for the identification of proteins on tissue using tryptic digestion followed by matrix-assisted laser desorption/ionization imaging mass spectrometry with tandem mass spectrometry analysis. This ion appears in the spectrum at m/e ratio, which depends upon the mass of original ion from which it is formed m1+and fragment ion mass m2+. A liquid chromatographic thermospray tandem mass spectrometric method was developed for quantitative analysis of some drugs having hypnotic, sedative and tranquilizing properties, that is, benzodiazepine, thioxanthene, butyrophenone, methadone and diphenylbutylpiperidine in whole blood. It is also a noninvasive tool that permits in vivo studies in humans. Various examples from the literature support the present application. Mass spectrometers like quadrupole or quadrupole-time-of-flight (Q-TOF) are frequently employed in combination along with gas chromatographic system. Brief introduction to this section that descibes Open Access especially from an IntechOpen perspective, Want to get in touch? Stable isotope-labeled (2H, 13C, 15N, 18O, 34S and others) xenobiotics can facilitate metabolite detection and identification by mass spectrometry, especially when radiolabeled parent drug is not available [46–48]. These are usually one or two mass units higher or lower than the ion peak. There is dramatic amplification in interest and implementation of clinical mass spectrometry for testing of vitamin D. LC–MS/MS method enables to distinguish between vitamin D2 and vitamin D3 and also provides information on the vitamin D epimeric form, both of which are not currently possible with existing immunoassays. The use of FTIR is not only limited to pharmacy field, but had also widened its horizon to The applications where these spectroscopic techniques are used provide a significant contribution to the analytical process. In the fast-developing fields of pharmaceutical research and industry, the implementation of Raman spectroscopy and related technologies has been very well received due to the combination of chemical selectivity and the option for non-invasive analysis of samples. Hydrogen deficiency index is also called unsaturation index which gives the information about the number of π-bonds and/or rings present in a molecular structure. Mass spectroscopy is widely employed in phytochemical analysis due to its capability to identify and measure metabolites having very low molecular weight at very low concentration ranges below nanogram per milliliter (ng/mL). The uniqueness of the technique of making fragments of the compound under investigation provides valuable structural information. 5. Built by scientists, for scientists. Regulatory demands also place “evidence of control” requirements on the composition and stability of the pharmaceutical products, and thereby the proof data associated with this process. Detection of Impurities UV absorption spectroscopy is one of the best methods for determination of impurities in organic molecules. applications of u.v. In some cases, instruments have identified only one organism without indicating the presence of others. Molecular ion peak: It has highest mass-to-charge ratio (m/e) in mass spectrum created due to loss of one electron from molecule, and its m/e value roughly represents the molecular weight of compound. These methods are robust, easy to perform, sensitive, accurate and precise. Implementation of mass spectroscopy in clinical laboratory resulted in significant advancements. The spectrophotometer technique is to measure light intensity as a function of wavelength. Bile acids have many vital physiological functions like lipid absorption and cholesterol homeostasis. 6-OH desloratadine and N-oxides can be clearly differentiated as the major fragment ion from N-oxides was due to the loss of an oxygen atom while the prominent fragment ion from 6-OH desloratadine was due to loss of H2O [45]. A library of compounds were analyzed using mass spectra data collected by DART-MS operated in switching mode at 20, 60 and 90 V settings. This opened the new horizons of its applicability. Much of the need for accurate optical property measurements stems from the need to control the purity and dose of the drugs, in the development, manufacturing, and quality control of the product, and therefore at the beginning of the chapter, we discuss an overview of these processes. Mass spectroscopy is widely used for detection of impurities in samples. The cross-linking/MS was used as an integrated structure analysis tool for large multi-protein complexes [21]. Then, the signal is transferred to a data collection system for data investigation. Drug metabolic reactions can be divided into two parts: 1. The complex structure and low concentration of bile acids in biological fluids make their analysis technically difficult. Spectrophotometric methods play an important role in the generation of this data, and the evaluation of the risks associated with this process, thereby assisting compliance. Raman spectroscopy provides a molecular level insight into processing, and therefore it is a future process analytical tool. ASSAY OF SODIUM, POTASSIUM AND CALCIUM IN BLOOD SERUM AND WATER We share our knowledge and peer-reveiwed research papers with libraries, scientific and engineering societies, and also work with corporate R&D departments and government entities. So we can confirm the compound by comparing with the library of fragmentation pattern of reference compounds. The validation of these processes with respect to analytical control of the instrument systems and methodology used are explained. Hydrogen deficiency index is 4, because four pairs of hydrogen atoms are required to saturate the compound. This has contributed to the use of the spectroscope successfully in the detection of many of organic compounds, aromatic numerous active substances in drugs in the field of research chemicals, biochemical, and medical analysis of organic compounds. Analysis of methadone and its metabolites with other illicit drugs like cocaine, phencyclidine, heroin and 6-acetylmorphine in hair by GC–MS is another successful application of mass spectroscopy [43]. Metastable ion peak: This ion is formed from the disintegration of fragment ion in the analyzer tube of mass spectrometer. Publishing on IntechOpen allows authors to earn citations and find new collaborators, meaning more people see your work not only from your own field of study, but from other related fields too. Applications of mass spectroscopy in phytochemical analysis. Associated with chemometrics, it can become a powerful tool for the pharmaceutical industry. Determination of 11-nor-9-D-tetrahydrocannabinol-9-carboxylic acid (THC-COOH) in urine [41], alfentanil, fentanyl and its derivatives with other opioid drugs like morphine, buprenorphine, codeine, heroin, methadone, naloxone, naltrexone, tramadol, pentazocine, pethidine and others in hair [42] has been done by LC–MS and LC–MS/MS. For example, the H/D exchange method was used for the drug metabolism studies of denopamine and promethazine in which N- or S-oxide was easily distinguished from the hydroxylated metabolites. Analysis of molecular bond strengths We use cookies to help provide and enhance our service and tailor content and ads. Despite the need for improvement, mass spectrometry will become popular in the near future with fast turnaround times, ease of use and potential operational cost savings [32]. This is a mandatory field How? They employed linear ion trap quadrupole (LTQ)-orbitrap spectrometer and recorded Fourier transform mass spectrometer (FTMS) spectra at 100,000 resolutions. Mass spectrometry is a very sensitive technique which can analyze even minute quantities of the molecule. The characterization of commercial prebiotic galacto-oligosaccharide mixture was done with linear ion-trap mass spectrometer coupled with high-performance anion-exchange chromatography (HPAEC) using electrospray ionization combination with 1H NMR and 13C NMR [15]. This study suggested the use of tandem mass instruments like Q-TOF and metal cations in mass spectroscopy of heparin-like glycosaminoglycan oligosaccharides [13]. Any substance with hydrogen deficiency index four or more possibly contains a benzenoid ring in it, and the compounds with hydrogen deficiency index less than four cannot contain such type of ring. Moreover, steady-state, near-infrared spectroscopy is a very significant tool in pharmaceutical analysis. The state-of-the-art and possibilities offered by derivative spectrophotometry in the field of pharmaceutical analysis during the period 2008 – 2012 are reviewed. The synthesis of a novel sequence of di- and tri-organotin (IV) compounds which contains germanium having the general formula R4−nSnLn along with characterization was performed by elemental analysis, FT-IR, multinuclear NMR (1H,13C,119Sn) and mass spectrometry by double-focusing mass spectrometer [16]. In the ion generation chamber, neutral sample molecules are ionized and then accelerated into the mass analyzer tube. © 2017 The Author(s). Spectrophotometry is used for the quantitative determination of a great variety of substances in solution. This occurs due to disturbances in synthesis and pharmacokinetics in the body. Figure 1 provides examples of applications of spectrophotometry in different areas, such as environmental, biological, and pharmaceutical applications. The applications where these spectroscopic techniques are used provide a significant contribution … Fragmentation pattern is characteristic for a particular organic compound. Since pharmaceutical labs have so many uses for bench top spectrophotometers, these instruments must be versatile, accurate and easy to use in a variety of ways. They used MALDI-TOF for their study [29]. ScienceDirect ® is a registered trademark of Elsevier B.V. ScienceDirect ® is a registered trademark of Elsevier B.V. A new procedure was revealed which enabled selective sequencing and detection of serine-, threonine- and tyrosine-phosphopeptides at very low level of femto mole in protein digests with electrospray mass spectroscopy (ES-MS) using quadrupole mass spectrometer [22]. Typical spectrophotometry applications are the measurements of nucleic acids, proteins and bacterial density. The high vacuum is applied between the ion generation chamber, analyzer tube and ion collector. However, cases of murders or death due to poisoning and drug overdose are also the prime targets for these drug candidates’ analysis [38]. Therefore, base molecular formula will be: Hydrogen atoms in predicted base molecular formula = 14. Two drugs lopinavir and ritonavir were analyzed and described that HIV protease inhibitors can successfully be quantified in peripheral blood mononuclear cells using MALDI-TOF mass spectrometry [36]. Through first reacting the sample to bring the metal into solution as an ion, the trace metal content of an alloy, such as manganese in steel, can be determined. Spectrophotometry of proteins, Spectrophotometry in Forensic Science, Pharmaceutical Analytical Chemistry: … For example, it … This chapter is distributed under the terms of the Creative Commons Attribution 3.0 License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. ESI is commonly employed in HPLC-MS and CE-MS. Fourier transform ion cyclotron resonance (FT-ICR), orbitrap and TOF are emerged as high-performance mass analyzers that are able to screen metabolites with fraction of seconds due to their high resolution. Glancing at the recent advances, Fourier Transform Infrared Spectroscopy sciences. Some of the major fields in which a spectrophotometer is employed are physics, molecular biology, chemistry, and biochemistry labs. By Tünde Jurca, Eleonora Marian, Laura Graţiela Vicaş, Mariana Eugenia Mureşan and Luminiţa Fritea. Differentiation by mass spectrometry is a challenging task because these analytes exhibit the same m/z for their protonated or deprotonated molecules and their product ion mass spectra are usually very similar. Generally, the title refers to Ultraviolet-Visible (UV-Vis) Spectroscopy. APPLICATIONS OF FLAME EMISSION SPECTROSCOPY IN PHARMACEUTICAL ANALYSIS . A triple-stage quadrupole mass spectrometer was used in the analysis at a very low detection limit of 0.05–0.5 ng/ml [39]. The sample for forensics in the case of drug abuse is mainly urine, hair and blood. Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) is now in trend that is used to directly analyze and image pharmaceutical compounds in intact tissue [25]. Fragment ion peak: Peak of fragment ion in mass spectrum is called fragment ion peak. Our team is growing all the time, so we’re always on the lookout for smart people who want to help us reshape the world of scientific publishing. Finally, the possible way regulation will influence the future use of spectrophotometry in the pharmaceutical industry is discussed. In whole brain homogenates, the concentration of drug was determined at nanogram levels with high-performance liquid chromatography/tandem mass spectrometry using triple quadrupole mass spectrometer [25]. For example, the particle size and distribution may be critical to the functionality of the drugs, and a high degree of quality control of the dissolution process is required. We can understand this application by the following examples: C2H4 has two carbon atoms. Likewise, the use of LC–MS for multidimensional evaluation of impurities during drug development is described. To ensure the safety, quality and efficacy of compounds being produced, USP has developed standards … Available from: Fatty acids, sucrose, diterpenes, sesquiterpene, ɑ-Pinene, myrcene, limonene, citrinellal, geraniol, Prenylated isoflavonoids and isoflavonoids like daidzein, genistein, glycitein, Calycosin, calycosin-7-O-β-D-glycoside, formononetin, formononetin-7-O-glycoside, Glycyrrhizic acid, liquorice saponin G2, liquiritin, licuraside, ononin, glycycoumarin, Hydroxycinnamics, including acids, esters and glycosides; hydroxybenzoic acids and one flavonoid, Department of Pharmaceutical Chemistry and Analysis, Kota College of Pharmacy, Kota, India, Department of Pharmaceutical Chemistry, Laureate Institute of Pharmacy, Kangra, India, Primary Health Centre, Meenabadoda, Sawai Madhopur, India. Bile has bile acids as the major constituents which are synthesized in liver and secreted in gall bladder or in intestine. These amino alcohols derivatized and analyzed in mass spectrometer which aids sequence analysis. This fast and effect instrumentation has become an essential tool in the pharmaceutical industry thanks to its adaptability and economic value. The structure of flavonoid monoglycosides like genistein-7-O-glucoside, genistein-4′-O-glucoside, 2′-hydroxygenistein-7-O-glucoside and apigenin, isolated from shoot of lupin (Lupinus luteus L.), was elucidated by using LSI-MS and EI-MS with double-focusing reversed geometry between mass spectrometer [12]. It is also used as a sensitive detector for chromatographic techniques like LC–MS, GC–MS and LC/MS/MS. Spectrometry is one of the branches of analytical chemistry which has many advantages. A Swiss study has done a comparison between MALDI-TOF MS system and conventional methods for the identification of 1371 routine bacteria and yeast isolates. It is divided into two parts: If m/e value of molecular ion peak is odd number, then it may contain odd number of nitrogen atoms. The instrument has now a wide range of applications in pharmaceutical (drug discovery, pharmacokinetics, drug metabolism), clinical (neonatal screening, hemoglobin analysis, drug testing), environmental (water quality, food contamination, pollutant determination), geological (oil composition, hydrocarbon fraction determination in petroleum industry), metallurgy (determination of rare earth metals and metals at ppq (parts per quadrillion)), sports (dope test of drugs in athletes), forensic (poison and drug metabolite determination) and biotechnology (proteins, peptide analysis) like fields. Mass spectroscopy can also be used for the investigation of bile acids in biological fluids. The United States Pharmacopeia (USP) defines absorption spectroscopy as “the measurement of an interaction between electromagnetic radiation and the chemicals, or atoms, of a chemical substance.”.

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