Applications

Improve petrochemical quality control with NIRS. Fast, cost-effective, and no sample prep needed. Learn more in our eBook.

This e-book explains how Raman and near-infrared (NIR) spectroscopy enable rapid, nondestructive polymer analysis, ensuring high quality while reducing costs and waste.

More strict regulations paired with more complex products have increased testing complexity in the paint and coating industry. Therefore, producers ask for more powerful, safe and sustainable analytical methods. Testing by Vis-NIR spectroscopy is a sustainable and costefficient alternative to many wet chemical methods. This white paper describes how Vis-NIR spectroscopy improves testing procedures for various analyses during the formulation and production of paint and coatings in an economic and ecological way.Key words: testing, sustainable, VOC, paint, coating, binders, resins, additives, pigments, solvents

Surface Enhanced Raman Scattering or SERS is an anomalous enhancement of Raman scattering when molecules are adsorbed to gold or silver nanoparticles – this enhancement can be as large as 107. The advantage of SERS for the analytical chemist lies in its ability to detect analyte concentrations of parts per million and even parts per billion levels, while classical Raman is limited to parts per thousand. Metrohm Raman produces P-SERS assays in the form of nanoparticles printed onto substrates using inkjet technology. This method produces inexpensive test strips that exhibit exceptional stability and sensitivity. There are two markets that can be easily addressed with P-SERS: forensic analysisand food safety. This white paper explains the mechanism of SERS and how it can be applied to handheld Raman analysis with Metrohm Raman Mira systems.

Near-infrared spectroscopy (NIRS) is a widely used analytical technique for qualitative and quantitative analysis of various products in research and industrial applications. Because of different reasons it might be necessary to transfer analytical methods from one NIR analyzer to another one. This white paper summarizes the workflow of such method transfer.

Printable Surface Enhanced Raman Scattering (P-SERS) silver substrates were used with Metrohm Raman’s Mira DS handheld Raman analyzer to successfully detect heroin in 18 crude street heroin samples. Detection of heroin with P-SERS was accomplished easily and very quickly, with minimal sample clean-up. Solvent studies were also implemented to determine the optimal solvent for crude sample extraction, with results included here.

Analyzer systems monitoring product quality can offer substantial advantages when organized in a client-server network compared to the more traditional local installation. This white paper presents different client-server setups and their benefits. Security aspects that need to be considered are discussed based on the example of the client-server Vis-NIR (visible near-infrared) spectroscopy software Vision Air, widely used for quality control in the chemical, polymer, pharmaceutical, and petrochemical industry.

Underestimation of quality control (QC) processes is one of the major factors leading to internal and external product failure, which have been reported to cause a loss of turnover between 10–30%. As a result, many different norms are put in place to support manufacturers with their QC process. However, time to result and the associated costs for chemicals can be quite excessive, leading many companies to implement near-infrared spectroscopy (NIRS) in their QC process. This paper illustrates the potential of NIRS and displays cost saving potentials up to 90%.

Chemometrics is a powerful tool widely used for method development in the pharmaceutical industry. This whitepaper describes the lifecycle of multivariate models and summarizes the workflow of the development of chemometrical models according to the new USP chapter <1039>.

This white paper differentiates between methods for identification of unknowns and verification of known materials. The goal of this publication is, ultimately, to inform the user of the capabilities of the handheld Metrohm Raman Mira P system. Best practices for building robust training sets for materials verification with Mira P can also be found here.

The demand for microelectronics and printed circuit boards (PCBs) has steadily increased as more flat panel displays, LEDs, photovoltaics, and other essential intermediates are required to create modern consumer devices. This is favorable for the semiconductor industry, though challenges may arise to deliver on time while upholding high quality standards. To be successful, several processes must be optimized in order to increase production efficiency. This White Paper describes the capabilities of the modern analytical method near-infrared (NIR) spectroscopy for assessing the quality of acid baths for etching of microelectronics and printed electronics. Not only are analysis times sharply reduced to less than a minute, the related running costs are also significantly lower – certainly a boost in efficiency that should not be overlooked!

It is widely accepted that prolonged exposure to hexavalent chromium compounds can have dire health effects. This has led to increased regulation of chromium-containing products and greater demand for technologies that can positively identify hexavalent chromium in potential matrices. These include paints, dyes, and primers, which can pose a problem for interrogation with Raman, as strongly colored materials often exhibit fluorescence when stimulated at 785 nm. Fluorescence can obscure the Raman signal and prevent positive identification. MIRA XTR DS provides all the functionality of handheld material ID with a new capability that selectively eXTRacts the Raman signal from fluorescent materials. Fluorescence rejection at 785 nm provides higher sensitivity and resolution than 1064 nm systems, as well as a much wider scope of applications amenable to Raman spectroscopy. MIRA XTR DS offers a comprehensive and versatile material ID test solution for field operations.

White paper about Raman spectroscopy and electrochemistry and their combination (electrochemical Raman).

This White Paper discusses the concept and benefits of NIR spectroscopy and outlines several real-life laboratory application examples with the use of OMNIS NIRS, the cutting-edge NIR spectrometer from Metrohm.

Raman spectroscopy is a well suited spectroscopic technique for process development and control within development laboratories in chemical, pharmaceutical, and other industries. This article demonstrates the utility of portable Raman spectroscopy as a simple and versatile tool for in situ monitoring of reactions using univariate analysis techniques such as peak trending, as well as multivariate analysis approaches to predict the end point of chemical reactions.

Raman spectroscopy is an advantageous analytical tool that allows for the measurement of molecular structure and identifying chemical composition of materials based on the rotational and vibrational modes of a molecule. With advanced technology and an optimized optical design, the B&W Tek BAC102 series E-grade probe can access lower frequency modes down to 65 cm-1, providing key information for applications in protein characterization, polymorph detection, and identification, along with material phase and structure determination.

At a crime scene, a police officer collects a fiber sample that may prove to be invaluable evidence in identifying a criminal or exonerating an innocent person. In recent years, Raman spectroscopy has been studied extensively for forensic fiber analysis because of the high selectivity of Raman signatures, non-destruction nature of the test, and the ability to conduct the analysis without any sample preparation. The Raman spectrum can be measured directly on fabrics or fibers mounted on glass slide with very little interference from the mounting resin or the glass.

The two most common mathematical representations used with handheld Raman spectroscopy as decision-making tools for spectroscopic data: Hit Quality Index (HQI) and significance level (p-value) are presented.

Conventional Raman typically has a very small sampling area with a high power density (PD) at the laser focal point on the sample, which means that only a limited portion of a sample is measured, and the result tends to be irreproducible for heterogeneous sample. The high power density may also cause samples to heat up or burn. The large spot adaptor (LSA) for B&W Tek’s handheld Raman products, featuring a much larger sampling area of 4.5 mm in diameter, is designed to overcome these issues.

In this note, we use a model drug, acetaminophen, to demonstrate the capability of QTRam® to quantify low concentrations of API in compressed tablets.QTRam® is a compact transmission Raman analyzer designed specifically for content uniformity analysis of pharmaceuticals in solid dosage forms.

The raw materials whey, sorbitol, stearic acid, and calcium phosphate dihydrate dibasic all show very distinctive, unique Raman signatures, which indicates that Raman spectroscopy is the ideal technology for identification of these materials. The PCA model-based method provides reliable specificity to successfully identify these nondestructively in plastc samples bags using the NanoRam.

The fundamentals of Raman instrumentation and spectroscopy are presented along with common applications of Raman.

The NanoRam handheld Raman, with a TE-cooled spectrometer, and patented CleanLaze technology packaged in a small, touch-screen operating unit, delivers high quality raw material testing capabilities for pharmaceutical manufacturers.

Raman spectroscopy is used for material characterization by analyzing molecular or crystal symmetrical vibrations and rotations that are excited by a laser, and exhibit vibrations specific to the molecular bonds and crystal arrangements in the molecules. Raman technology is a valuable tool in distinguishing different polymorphs. Examples of portable Raman spectroscopy for identification of polymorphs and in monitoring the polymorphic transiton of citric acid and its hydrated form are presented.

This article demonstrates the utility of portable Raman spectroscopy as a versatile tool for process analytical technology (PAT) for raw material identification, in-situ monitoring of reactions in developing active pharmaceutical ingredients (APIs), and for real-time process monitoring. Raw material identification is done for verification of starting materials as required by PIC/S and cGMP, and can be readily done with handheld Raman. Portable Raman systems allow users to make measurements to bring process understanding and also provide proof of concept for the Raman measurements to be implemented in pilot plants or large-scale production sites. For known reactions which are repetitively performed or for continuous online process monitoring of reactions, Raman provides a convenient solution for process understanding and the basis for process control.

Law enforcement personnel, laboratory technicians, crime scene investigators and many others face a significant challenge for identification of materials in a forensic investigation.Traditionally, technicians used multiple forms of identification in order to collect results from various forms of forensic samples. Although certain technologies are ideal for precise laboratory identification, many technologies, such as Raman spectroscopy, can be successfully used for identification of multiple forensic sample types either directly in the field or in the lab. Raman spectroscopy is classified as a Category A analytical method by the Scientific Working Group for the Analysis of Seized Drugs (SWGDRUG; Version 7.1, 2016).

B&W Tek’s TacticID®-1064 is a field-ready handheld Raman system utilizing 1064-nm wavelength laser excitation. Designed for forensic analysis by safety personnel, first responders, and law enforcement personnel, the TacticID-1064 significantly reduces fluorescence, allowing users to identify tough street samples such as ecstasy tablets in a variety of colors and mixture forms.

In this case study, a suspected counterfeit Adderall pill was measured directly with a TacticID Mobile using a point-and-shoot adapter. The spectra of the suspected couterfeit pill was found to contain cellulose and caffeine, but not the active ingredient. The TacticiD Mobile with 1064-nm laser excitation provides fluorescence suppression, giving those on the front lines a tool in the fight against dangerous counterfeit drugs.

An important aspect of collecting Raman data to make it comparable across instruments is correcting for the spectrometer’s relative intensity, since the relative response for each Raman spectrometer is unique. Standard reference materials (SRMs) are optical glasses that emit a broadband luminescence spectrum when illuminated with a Raman laser at a specific wavelength. This spectrum is applied as the spectral-intensity response correction for a specific instrument, to remove instrumental artefacts. The standard software for i-Raman series portable instruments, BWSpec, has functions for applying this instrument-specific correction. This technical note explains the relative intensity correction, and how to apply it using BWSpec software.

Raman spectroscopy is a valuable tool for the characterization of carbon nanomaterials due to its selectivity, speed, and ability to measure samples nondestructively. Carbon materials typically have simple Raman spectra, but they contain a wealth of information about internal microcrystalline structures in peak position, shape, and relative intensity.

The present Application Bulletin contains NIR applications and feasibility studies for NIRSystems devices in the chemical industry. Qualitative and quantitative analyses of a wide variety of samples are part of this bulletin. Each application describes the instrument that was originally used for the analysis, as well as the system recommended for the analysis and the results that were achieved thereby.

This Application Bulletin compares the unique focusing technology of the portable Metrohm Raman system "Mira" with conventional methods. The method described here is called Orbital Raster Scan (ORS). Experiments show the advantages of ORS technology, using determination and quantification of medicines as an example. It improves the reproducibility of the Raman signals from targeted, active, pharmaceutical ingredients (APIs) in effervescent, cold medicines. Shorter analysis times and an improved, consistent assignment of spectra of the known medicine with the help of a spectral library are further advantages of ORS technology.

This Application Bulletin describes the method of near-infrared spectroscopy in diffuse reflection for the purpose of determining residual moisture in a lyophilized pharmaceutical product. Numerous sample vials containing freeze-dried pharmaceuticals were spiked with varying amounts of water for calibration purposes. The resulting differences in the absorption wavelengths of the OH-oscillation were correlated with the water content determined by Karl Fischer titration using the algorithm of multiple linear regression (MLR).

The present Application Bulletin elucidates several applications for the polymer industry that can be carried out with the aid of NIR instruments. This Bulletin contains analyses of a wide range of parameters in a very large array of samples. The hydroxyl number is one of the best-known of the parameters that can be determined rapidly using near-infrared spectroscopy. The determination of the hydroxyl number in different areas and in different polyol types is also a part of this Bulletin. Each application describes the sample and the instrument that was originally used for the analysis, as well as the recommended instruments and the results.

Near-infrared spectroscopy is used for a wide range of analyses. Thanks to its fast and non-destructive determination, NIRS is outstandingly suited to quality control of products and raw materials, whether during production or on the finished product. This Application Bulletin shows NIR applications and feasibility studies from the lacquer and paint industry performed using NIRSystems devices.

This Application Note shows that NIR spectroscopy is an excellent tool for determining low concentrations of additives in finished polypropylene pellets. This is demonstrated by monitoring the UV stabilizer Tinuvin 770 and the antioxidant Irganox 225. The application of multiple linear regression (MLR) models minimizes interferences that originate from different coating thicknesses and interferences in the polymer pellets.

This Application Note describes the determination of copolymer levels in polyethylene (PE) and polyvinylacetate (PVA) pellets using NIRS. The determination of the composition of the polymer blends takes less than 30 seconds and requires no sample preparation. The second derivative spectra are analyzed by means of the linear least-squares regression method.

During polymerization, real-time determination of hydroxyl and acid numbers of polyols provide important information about molecular weight and the reaction end point. This Application Note sheds light on the practical aspects of process monitoring in a polyol batch process using NIRS methodology. Real-time process monitoring with NIRS is the key to lower production costs and better product quality.

Near-infrared spectroscopy (NIRS) is ideally suited to monitor the hardwood and softwood content in pulp and paper products.The herein described method bases on the fact that the changes in hardwood and softwood content are reflected in the intensity of the absorption bands of cellulose. A linear least-squares regression on second derivative spectra provide results that correspond very well with those of conventional laboratory determinations. With NIRS, an analytic method is available that provides results in real time.

Ink is a complex mixture that, along with numerous additives, is comprised mainly of solvent, dye, water and surfactant. Vis-NIR spectroscopy is outstandingly suitable for providing rapid and reliable determinations of constituents in the context of quality controls. This Application Note describes the determination of diethylene glycol (DEG), water, dye and surfactant.

This Application Note shows the determination of the ratio of cotton linter to pulp in cellulose samples with Vis-NIR spectroscopy. This linter-pulp ratio is an important characteristic in the paper industry which, unlike with elaborate wet-chemistry methods, can be determined quickly and conveniently with Vis-NIR spectroscopy.

This Application Note shows the fast and parallel determination of water content and pH value in crude tall oil samples using near-infrared spectroscopy (NIRS). Crude tall oil is an important byproduct of pulp production in the power process. NIRS is an efficient alternative to conventional laboratory methods: It permits rapid raw material inspection, process monitoring and final product checking.

Near-infrared spectroscopy (NIRS) was used as an analysis method for quality control of soap noodles. Quantitative models for the determination of Total Fatty Matter, Iodine Number, and C8–C14 were developed, enabling fast and reliable quality control.

This Application Note presents Vis-NIR spectroscopy as a viable alternative to determine API content in cefixime tablets without sample preparation.

This Application Note describes an NIR method for monitoring the esterification process in butyl acetate production. The developed NIR method shows excellent analytical performance equivalent to that obtainable with more time-consuming GC methods.

This Application Note shows how purity, degree of substitution and water content of carboxymethyl celluloses (CMC) can be determined conveniently and rapidly in a single measurement with Vis-NIR spectroscopy.

Near-infrared spectroscopy (NIRS) was used as an analysis method for quality control of hair spray samples. A model for an active ingredient within hair sprays was developed, enabling fast and reliable out-of-specification analyses.

This Application Note describes a fast, nondestructive, and reliable method for the determination of the chemical composition of alcohol mixtures exemplified by ethanol/isopropanol mixtures. With visible near infrared spectroscopy (VIS-NIRS), results are available in real-time, thus making NIRS highly suited for fast quality control.

This Application Note shows that NIR "predictive models" are optimally suitable for the non-destructive measurement of the release profiles of active ingredients from tablets. This is in accordance with the Process Analytical Technology (PAT) initiative of the FDA. The results demonstrate how NIRS considerably reduces the work involved for release studies in the laboratory.

This Application Note describes the determination of various indices (mainly with ASTM and ISO conformance) for the characterization of kerosene as aviation turbine fuel using near-infrared spectroscopy. The following parameters were determined with the aid of an NIRS XDS Process Analyzer: degree of density in accordance with the American Petroleum Institute (API), aromatics content, Cetane Index, distillation characteristics pursuant to ASTM D86, flash point, freezing point, viscosity and hydrogen content. All of these parameters are determined quickly and easily with just a single measurement.