Process analytical chemistry
Encyclopedia
Process Analytical Chemistry (PAC), is similar to Process Analytical Technology (PAT) (for example used for the pharmaceutical industry) has its origins as a specialized form of analytical chemistry
used for process manufacturing. Process analytical chemistry is the application of analytical chemistry with specialized techniques, algorithms, and sampling equipment for solving problems related to chemical processes. The chemical processes are for production and quality control of manufactured products, and process analytical technology is used to determine the physical and chemical composition of the desired products during a manufacturing process. It is first mentioned in the chemical literature in 1946(1,2).
Process analysis initially involved sampling the variety of process streams or webs and transporting samples to quality control or central analytical service laboratories. Time delays for analytical results due to sample transport and analytical preparation steps negated the value of many chemical analyses for purposes other than product release. Over time it was understood that real-time measurements provided timely information about a process, which was far more useful for high efficiency and quality. The development of real-time process analysis has provided information for process optimization during any manufacturing process. The journal Analytical Chemistry (journal)
publishes a biennial review of the most recent developments in the field.
The first real-time measurements in a production environment were made with modified laboratory instrumentation; in recent times specialized process and handheld instrumentation has been developed for immediate analysis.
Process Analytical Chemistry involves the following sub-disciplines of analytical chemistry
:
•Microanalytical Systems
• Micro Electro Mechanical Systems (MEMS)
• Micro Total Analytical Systems (μTAS)
• Microanalytical
• Microfluidics
• Microreactors
• Nanotechnology
•Biosensors
• Sensor Development
• Biological Agents Detection
• Chemical Detection
• Chemical Agent Detection
• Sampling and New Sampling Systems
• Electrochemistry
or electrophoresis
•Chromatography
• LC-MS/MS
• GC-MS
• Liquid Chromatography
• LC-MS-NMR
• LC-MS-MDF
•Spectroscopy
• UV-Vis Spectroscopy
• Fluorescence
• Imaging spectroscopy
• Infrared Spectroscopy
• LIBS
• Near-Infrared
• NMR
• Raman Spectroscopy
(SERS)
• Surface Plasmon Resonance
(SPR)
• Terahertz spectroscopy
• X-ray
Spectroscopy
•Mass Spectrometry
• MALDI-MS
• FT-ICR-MS
• PTR-MS
•Process Chemometrics
• Chemometrics or multivariate analysis
• Batch Modeling and MSPC
• Pharmaceutical Chemometrics
• Pharmaceutical (PAT)
• AI or Artificial Intelligence
•Informatics
• Cheminformatics
•Process Control
• Automation of Process Analytical Systems
• Control Systems
• Process Control Algorithms
•Flow Injection Analysis
(FIA)
•Ultrasound
•Handheld sensors
2. Gregory, C. H. (Team Leader); Appleton, H. B.; Lowes, A. P.; Whalen, F. C. Instrumentation & Control in the German Chemical Industry. British Intelligence Operations Subcommittee Report 1007, 12 June 1946 (per discussion with Terry McMahon).
Analytical chemistry
Analytical chemistry is the study of the separation, identification, and quantification of the chemical components of natural and artificial materials. Qualitative analysis gives an indication of the identity of the chemical species in the sample and quantitative analysis determines the amount of...
used for process manufacturing. Process analytical chemistry is the application of analytical chemistry with specialized techniques, algorithms, and sampling equipment for solving problems related to chemical processes. The chemical processes are for production and quality control of manufactured products, and process analytical technology is used to determine the physical and chemical composition of the desired products during a manufacturing process. It is first mentioned in the chemical literature in 1946(1,2).
Process analysis initially involved sampling the variety of process streams or webs and transporting samples to quality control or central analytical service laboratories. Time delays for analytical results due to sample transport and analytical preparation steps negated the value of many chemical analyses for purposes other than product release. Over time it was understood that real-time measurements provided timely information about a process, which was far more useful for high efficiency and quality. The development of real-time process analysis has provided information for process optimization during any manufacturing process. The journal Analytical Chemistry (journal)
Analytical Chemistry (journal)
Analytical Chemistry is a peer-reviewed scientific journal, published since 1929 by the American Chemical Society. It is currently indexed/abstracted in: Chemical Abstracts Service, CABI, EBSCOhost, ProQuest, PubMed, Scopus, and Web of Science...
publishes a biennial review of the most recent developments in the field.
The first real-time measurements in a production environment were made with modified laboratory instrumentation; in recent times specialized process and handheld instrumentation has been developed for immediate analysis.
Process Analytical Chemistry involves the following sub-disciplines of analytical chemistry
Analytical chemistry
Analytical chemistry is the study of the separation, identification, and quantification of the chemical components of natural and artificial materials. Qualitative analysis gives an indication of the identity of the chemical species in the sample and quantitative analysis determines the amount of...
:
•Microanalytical Systems
Microanalysis
Microanalysis is the chemical identification and quantitative analysis of very small amounts of chemical substances or very small surfaces of material...
• Micro Electro Mechanical Systems (MEMS)
• Micro Total Analytical Systems (μTAS)
• Microanalytical
• Microfluidics
Microfluidics
Microfluidics deals with the behavior, precise control and manipulation of fluids that are geometrically constrained to a small, typically sub-millimeter, scale.Typically, micro means one of the following features:* small volumes...
• Microreactors
• Nanotechnology
Nanotechnology
Nanotechnology is the study of manipulating matter on an atomic and molecular scale. Generally, nanotechnology deals with developing materials, devices, or other structures possessing at least one dimension sized from 1 to 100 nanometres...
•Biosensors
• Sensor Development
• Biological Agents Detection
• Chemical Detection
• Chemical Agent Detection
• Sampling and New Sampling Systems
• Electrochemistry
Electrochemistry
Electrochemistry is a branch of chemistry that studies chemical reactions which take place in a solution at the interface of an electron conductor and an ionic conductor , and which involve electron transfer between the electrode and the electrolyte or species in solution.If a chemical reaction is...
or electrophoresis
Electrophoresis
Electrophoresis, also called cataphoresis, is the motion of dispersed particles relative to a fluid under the influence of a spatially uniform electric field. This electrokinetic phenomenon was observed for the first time in 1807 by Reuss , who noticed that the application of a constant electric...
•Chromatography
Chromatography
Chromatography is the collective term for a set of laboratory techniques for the separation of mixtures....
• LC-MS/MS
Liquid chromatography-mass spectrometry
Liquid chromatography–mass spectrometry is an analytical chemistry technique that combines the physical separation capabilities of liquid chromatography with the mass analysis capabilities of mass spectrometry. LC-MS is a powerful technique used for many applications which has very high...
• GC-MS
• Liquid Chromatography
• LC-MS-NMR
• LC-MS-MDF
•Spectroscopy
Spectroscopy
Spectroscopy is the study of the interaction between matter and radiated energy. Historically, spectroscopy originated through the study of visible light dispersed according to its wavelength, e.g., by a prism. Later the concept was expanded greatly to comprise any interaction with radiative...
• UV-Vis Spectroscopy
• Fluorescence
Fluorescence
Fluorescence is the emission of light by a substance that has absorbed light or other electromagnetic radiation of a different wavelength. It is a form of luminescence. In most cases, emitted light has a longer wavelength, and therefore lower energy, than the absorbed radiation...
• Imaging spectroscopy
Imaging spectroscopy
Imaging spectroscopy is similar to color photography, but each pixel acquires many bands of light intensity data from the spectrum, instead of just the three bands of the RGB color model...
• Infrared Spectroscopy
Infrared spectroscopy
Infrared spectroscopy is the spectroscopy that deals with the infrared region of the electromagnetic spectrum, that is light with a longer wavelength and lower frequency than visible light. It covers a range of techniques, mostly based on absorption spectroscopy. As with all spectroscopic...
• LIBS
• Near-Infrared
• NMR
NMR
NMR may refer to:Applications of Nuclear Magnetic Resonance:* Nuclear magnetic resonance* NMR spectroscopy* Solid-state nuclear magnetic resonance* Protein nuclear magnetic resonance spectroscopy* Proton NMR* Carbon-13 NMR...
• Raman Spectroscopy
Raman spectroscopy
Raman spectroscopy is a spectroscopic technique used to study vibrational, rotational, and other low-frequency modes in a system.It relies on inelastic scattering, or Raman scattering, of monochromatic light, usually from a laser in the visible, near infrared, or near ultraviolet range...
(SERS)
• Surface Plasmon Resonance
Surface plasmon resonance
The excitation of surface plasmons by light is denoted as a surface plasmon resonance for planar surfaces or localized surface plasmon resonance for nanometer-sized metallic structures....
(SPR)
• Terahertz spectroscopy
Terahertz spectroscopy
Terahertz frequency radiation for spectroscopy is typically generated in one of three ways:* time domain terahertz spectroscopy , using ultrashort laser pulses* photomixing, mixing two radiation sources to generate their difference frequency...
• X-ray
X-ray
X-radiation is a form of electromagnetic radiation. X-rays have a wavelength in the range of 0.01 to 10 nanometers, corresponding to frequencies in the range 30 petahertz to 30 exahertz and energies in the range 120 eV to 120 keV. They are shorter in wavelength than UV rays and longer than gamma...
Spectroscopy
•Mass Spectrometry
Mass spectrometry
Mass spectrometry is an analytical technique that measures the mass-to-charge ratio of charged particles.It is used for determining masses of particles, for determining the elemental composition of a sample or molecule, and for elucidating the chemical structures of molecules, such as peptides and...
• MALDI-MS
MALDI imaging
MALDI imaging is the use of matrix-assisted laser desorption ionization as a mass spectrometry imaging technique in which the sample, often a thin tissue section, is moved in two dimensions while the mass spectrum is recorded.-Applications:...
• FT-ICR-MS
• PTR-MS
•Process Chemometrics
Chemometrics
Chemometrics is the science of extracting information from chemical systems by data-driven means. It is a highly interfacial discipline, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to...
• Chemometrics or multivariate analysis
Multivariate analysis
Multivariate analysis is based on the statistical principle of multivariate statistics, which involves observation and analysis of more than one statistical variable at a time...
• Batch Modeling and MSPC
• Pharmaceutical Chemometrics
• Pharmaceutical (PAT)
• AI or Artificial Intelligence
Artificial intelligence
Artificial intelligence is the intelligence of machines and the branch of computer science that aims to create it. AI textbooks define the field as "the study and design of intelligent agents" where an intelligent agent is a system that perceives its environment and takes actions that maximize its...
•Informatics
Informatics (academic field)
Informatics is the science of information, the practice of information processing, and the engineering of information systems. Informatics studies the structure, algorithms, behavior, and interactions of natural and artificial systems that store, process, access and communicate information...
• Cheminformatics
Cheminformatics
Cheminformatics is the use of computer and informational techniques, applied to a range of problems in the field of chemistry. These in silico techniques are used in pharmaceutical companies in the process of drug discovery...
•Process Control
Process control
Process control is a statistics and engineering discipline that deals with architectures, mechanisms and algorithms for maintaining the output of a specific process within a desired range...
• Automation of Process Analytical Systems
• Control Systems
• Process Control Algorithms
•Flow Injection Analysis
Flow injection analysis
Flow injection analysis is an approach to chemical analysis that is accomplished by injecting a plug of sample into a flowing carrier stream...
(FIA)
•Ultrasound
Ultrasound
Ultrasound is cyclic sound pressure with a frequency greater than the upper limit of human hearing. Ultrasound is thus not separated from "normal" sound based on differences in physical properties, only the fact that humans cannot hear it. Although this limit varies from person to person, it is...
•Handheld sensors
External Source List
1. McMahon, T.; Wright, E. L. In Analytical Instrumentation: A Practical Guide for Measurement and Control; Sherman, R.E., Rhodes, L. J., Eds.; Instrument Society of America: Research Triangle Park, NC, 1996.2. Gregory, C. H. (Team Leader); Appleton, H. B.; Lowes, A. P.; Whalen, F. C. Instrumentation & Control in the German Chemical Industry. British Intelligence Operations Subcommittee Report 1007, 12 June 1946 (per discussion with Terry McMahon).
Selected Reviews
- 2009: Jerome Workman, Jr., Mel Koch, Barry Lavine and Ray Chrisman, Anal. Chem., 2009, 81 (12), pp 4623–4643.
- 2007: Jerome Workman, Jr., Mel Koch, and Dave Veltkamp, Anal. Chem., 2007, 79 (12), pp 4345–4364.
- 2005: Jerome Workman, Jr., Mel Koch, and Dave Veltkamp, Anal. Chem., 2005, 77 (12), pp 3789–3806.
- 2003: Jerome Workman, Jr., Mel Koch, and David J. Veltkamp, Anal. Chem., 2003, 75 (12), pp 2859–2876.
- 2001: Jerome Workman, Jr., Ken E. Creasy, Steve Doherty, Leonard Bond, Mel Koch, Alan Ullman, and David J. Veltkamp, Anal. Chem., 2001, 73 (12), pp 2705–2718.
- 1999: Jerome Workman, Jr., David J. Veltkamp, Steve Doherty, Brian B. Anderson, Ken E. Creasy, Mel Koch, James F. Tatera, Alex L. Robinson, Leonard Bond, Lloyd W. Burgess, Gary N. Bokerman, Alan H. Ullman, Gary P. Darsey, Foad Mozayeni, Judith Ann Bamberger, and Margaret Stautberg Greenwood, Anal. Chem., 1999, 71 (12), pp 121–180.
- 1995: Wayne W. Blaser, Robert A. Bredeweg, Richard S. Harner, Mark A. LaPack, Anne. Leugers, Daniel P. Martin, Randy J. Pell, Jerome Workman, Larry G. Wright, Anal. Chem., 1995, 67 (12), pp 47–70.