Spectroscopy applications

Raman spectroscopy is ideally suited to rapidly screen for methanol contamination in spirits.

Low frequency Raman spectroscopy extends conventional Raman analysis by capturing vibrational modes down to 65 cm-1, enabling deeper insights into molecular structure, protein characterization, polymorph identification, and phase changes.

NIRS simultaneously measures important quality parameters in whey permeate (i.e., ash, phosphate, lactose, protein, pH, and moisture) without any sample preparation.

The standardization of the cationic surfactant TEGOtrant is performed using potentiometric titration as well as near-infrared spectroscopy (NIRS) in this application.

Determination of the biodiesel content in diesel with NIR spectroscopy is fast and requires no sample preparation nor chemicals, reducing workload and costs.

Ethanol content can be quickly and easily determined in different wines during fermentation and afterwards for quality control using near-infrared spectroscopy.

Near-infrared spectroscopy (NIRS) can simultaneously determine different quality parameters in deodorants like viscosity, pH, density, and aluminum content.

NIR spectroscopy measures ice cream quality parameters like total solids, fat content, lactose, protein percentage, sucrose content, and calories in seconds.

OMNIS Client/Server boosts business performance with scalable server management, cutting costs by reducing hardware, energy use, and maintenance across locations.

Raman spectroscopy is a fast alternative method to detect phosphate and sulfate species in solution for optimized phosphorus fertilizer production and improved product quality.

Raman spectroscopy is suitable for rapid, nondestructive measurements of chocolate quality indicators (e.g., cocoa and sugar content) in various chocolate types.

Compared to potentiometric titration, Raman spectroscopy is a rapid, accurate, and reliable secondary method for estimating the amine value (AV) of epoxy hardeners.

NIR spectroscopy is an alternative method for olive pomace fat analysis. Unlike other conventional methods, NIRS requires no sample preparation nor chemical solvents.

This study shows how a pre-calibrated NIRS instrument is used for multiparameter analysis of several pet food quality indicators like protein, moisture, fat, and ash.

NIRS can simultaneously measure several quality parameters in hops like cohumulone, hop oils, and moisture content, the hop storage index (HSI), and alpha and beta acids.

Near-infrared spectroscopy saves time and resources by simultaneously measuring key quality parameters like lactose, moisture, fat, and protein content in milk powder.

This Application Note shows how NIR spectroscopy is used to determine the water content (moisture content), protein content, and fat content in whole and ground almonds.

NIR spectroscopy can measure several honey quality parameters simultaneously in just a few seconds without any sample preparation as shown in this Application Note.

This Application Note shows how near-infrared spectroscopy is used for fast, chemical-free multiparameter quality control of fabric softeners and laundry perfumes.

The content of organic matter, limestone, silt, clay, and sand, along with pH value and exchangeable calcium and magnesium in soil can be determined in seconds with NIRS.

This study shows how NIR spectroscopy simultaneously measures capsaicin content, Scoville Heat Units, water activity, ASTA color, and ash content in paprika powder samples.

NIR spectroscopy enables fast, reliable analysis of key quality parameters in alfalfa forage (e.g., protein, fiber, and moisture) without any sample preparation.

Undeclared drugs in dietary supplements pose serious health risks. Metrohm’s SERS solutions enable fast, sensitive, on-site detection of adulterants without matrix interference

EC-SERS enhances Raman sensitivity using electrochemically activated gold SPEs, enabling rapid, simplified pesticide detection without complex prep or instrumentation.

NIR spectroscopy offers fast, chemical-free analysis of ash, protein, moisture, and rheological properties in flour – ideal for routine lab or atline quality control.

NIR spectroscopy enables fast, reagent-free analysis of fat, moisture, protein, fiber, ash, and starch in animal feed, streamlining quality control with no sample prep.

Near-infrared spectroscopy (NIRS) offers a fast, solvent-free alternative to traditional methods for assessing olive oil quality and detecting potential food fraud.

Mercaptans in fuels are corrosive and regulated at trace levels. SERS enhances Raman signals to enable their accurate detection and quantification below standard LODs.

Metrohm’s ST Raman technology enables fast, contactless identification of substances through opaque packaging, expanding safe, field-ready use of Raman spectroscopy.

Raman spectroscopy offers a fast, nondestructive way to identify microorganisms and analyze metabolites directly from culture media, without complex genetic sequencing.

Metrohm’s MIRA XTR handheld Raman spectrometer enables fast, reagent-free identification of phosphate species, enabling continuous monitoring of dynamic systems.

Raman spectroscopy with PLS modeling enables rapid, accurate, nondestructive quantification of the total phosphate content in solution with minimal sample preparation.

TacticID-1064 ST is a handheld Raman device that can identify materials through paper, plastic, glass, and multilayer packaging, reducing exposure risks and eliminating the need to open containers.

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

Near-infrared spectroscopy streamlines ethylene tetrafluoroethylene production by offering rapid, chemical-free analysis of melt flow rate and moisture content.

Polypropylene and polyethylene can pose recycling challenges. With near-infrared spectroscopy (NIRS), users receive polyolefin composition results in seconds.

Near-infrared spectroscopy (NIRS) can determine water content in PGME (propylene glycol monomethyl ether) within seconds as shown in this Application Note.

This application shows how to seamlessly transition from Metrohm’s NanoRam 785 to the newer MIRA P system, ensuring continuity in raw material identification (RMID).

This Application Note explains how to scale MIRA P usage across an entire manufacturing operation by transferring models between different MIRA P instruments.

This Application Note shows how easy it is to determine water content in the pharmaceutical excipient lactose with reagent-free near-infrared spectroscopy.

This Application Note compares SPELEC RAMAN and a standard Raman instrument by analyzing their performance in measuring single-walled carbon nanotubes (SWCNT).

Alamar Blue is monitored with fluorescence spectroelectrochemistry during its irreversible reduction to resorufin and further reversible reduction to dihydroresorufin.

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.

This Application Note demonstrates how the OMNIS NIR Analyzer Solid quickly determines the cotton content in various textile products within just 30 seconds.

Accurate analysis of complexing agents in galvanic baths is possible with inline Raman spectroscopy. This Application Note shows an example using a 2060 Raman Analyzer.

This Process Application Note presents a method to accurately monitor lactic acid and glucose inside a bioreactor in «real-time» with the 2060 Raman Analyzer from Metrohm Process Analytics.

Research laboratories must expand their capabilities to routinely analyze candidate microplastics from environmental samples to determine their origin and help predict biological impacts. Spectroscopic techniques are well suited to polymer identification. Laboratory Raman spectroscopy is an alternative to confocal Raman microscopes and Fourier transform infrared (FTIR) microscopes for quick identification of polymer materials. Raman microscopy was used to identify very small microplastic particles in this Application Note.

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.

Boric acid is growing in demand for various industrial applications, but requires a more cost-efficient and environmentally friendly production process. This Application Note describes the performance of a Raman process analyzer (PTRam) when measuring low-concentration boric acid and sodium sulfate solutions (<100 mg/L) during boric acid production.

Low sensitivity has limited the use of Raman spectroscopy as a detection method. However, the surface-enhanced Raman scattering (SERS) effect has improved its effectivity for analytical use. Aldehyde dehydrogenase (ALDH) and cytochrome c are analyzed by Raman spectroelectrochemistry as a proof of concept in this Application Note.

Electrochemical Raman (EC-Raman) spectroscopy enhances comprehension of energy storage devices by tracking physicochemical changes. This note details EC-Raman findings during nickel-metal hydride (NiMH) battery charge and discharge simulations.

Conventional methods used to analyze moisture, ash, fixed carbon, and volatile content in coal samples, are time consuming and costly. Near-infrared (NIR) spectroscopy is excellently suited to determine all parameters simultaneously in less than one minute without any sample preparation.

Poly(3,4-ethylenedioxythiophene) (PEDOT) is one of the most promising ICPs due to its high conductivity, electrochemical stability, catalytic properties, high insolubility in almost all common solvents and interesting electrochromic properties (transparent in the doped state and colored in the neutral state). In this Application Note, PEDOT film is evaluated by spectroelectrochemical techniques.

Etching is a vital process in semiconductor fabrication, involving the chemical removal of layers from the wafer substrate. Strict quality control measures are necessary to determine acid etchant concentrations in mixed acid solutions (e.g., SPM, DSP, or DSP+), critical for optimizing etch rate, selectivity, and uniformity during multiple wafer etching steps. This application presents a method to measure sulfuric acid and hydrogen peroxide in etching baths simultaneously using Raman spectroscopy with the PTRam Analyzer from Metrohm Process Analytics.

Adulteration in the food industry is a significant concern due to potential health risks and changes in product quality and nutrition. Detecting such adulteration is challenging, however, to ensure high-quality products, precise measurements during the manufacturing process are essential for identifying any contamination in raw materials and final products. This Process Application Note details the inline analysis of potato starch in the wheat flour manufacturing process with a 2060 The NIR Analyzer from Metrohm Process Analytics.

Fentanyl, a powerful synthetic opioid, is illegally distributed worldwide. Overdosing can be fatal, causing symptoms like stupor, pupil changes, cyanosis, and respiratory failure. Just 2 mg of fentanyl can be lethal, depending on factors like body size and past usage. Given its severe impact, identifying and detecting fentanyl is crucial, as it has become a major public health crisis. Combining electrochemical surface-enhanced Raman spectroscopy (EC-SERS) with screen-printed electrodes (SPEs) offers a fast, effective, and precise method for detecting fentanyl.

Currently, there are no simple tests to identify counterfeit beer. This Application Note demonstrates the ability of i-Raman EX, the B&W Tek Laboratory Raman instrument with a 1064 nm laser, with principal component analysis (PCA) to distinguish between beers from different brewers and from a mixture of beers.

Near-infrared (NIR) spectroscopy is able to determine the intrinsic viscosity of rPET in less than one minute without any sample preparation. This Application Note demonstrates that the Metrohm DS2500 Solid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) offers users an easier way to perform this analysis without the use of toxic chemicals.

The standard method to determine RON in isomerate is with expensive and maintenance-intensive engines. In contrast to this, the research octane number can also be analyzed by near-infrared spectroscopy (NIRS). NIRS provides accurate results within one minute without the need for any sample preparation or chemicals.

The determination of key quality parameters of reformate—namely research octane number (RON, ASTM D2699-19), aromatic content (ASTM D5769-15), benzene content, olefin content, and density—requires time-consuming and laborious conventional methods. In contrast, the Metrohm DS2500 Liquid Analyzer can measure all of these parameters, providing results within one minute without any sample preparation.

The development of a novel reflection cell for conventional electrodes facilitates the performance of spectroelectrochemical measurements. This device allows researchers to work in aqueous solutions as well as in organic media due to its chemical resistance.

Monitoring the iodine value in edible oil blends is crucial to produce vegetable oils with the desired properties. This Application Note displays the benefit of using the Metrohm NIRS DS2500 Liquid Analyzer for quality control in food laboratories.

Near-infrared spectroscopy can quickly determine multiple edible oil quality parameters simultaneously without sample preparation as shown in this Application Note.

NIRS enables rapid, chemical-free analysis of glucose, fructose, sucrose, and Brix in fruit juices without sample prep, offering a fast alternative to traditional methods.

Near-infrared spectroscopy (NIRS) is a fast, chemical-free alternative analytical technology for caffeine and moisture analysis in roasted coffee beans and grounds.

Near-infrared spectroscopy (NIRS) allows the simultaneous determination of sweeteners such as Stevia and sucralose in blends in less than one minute without any chemicals or sample preparation.

Near-infrared spectroscopy (NIRS) is a fast, chemical-free analytical method for the simultaneous analysis of density, water activity, and moisture of green coffee beans.

Near-infrared spectroscopy (NIRS) is a fast, chemical-free analysis method for various quality parameters of chocolate bars without sample preparation. The NIRS solution is easy to use and can be used atline or in a quality control lab.

Key quality parameters in the food industry include sucrose, glucose, and fructose, and Brix (dissolved sugar content). Near-infrared spectroscopy (NIRS) allows fast simultaneous determination of multiple sugars without chemicals or any sample preparation.

Brix, Pol, juice purity, reducing sugars, and total recoverable sugars are some of the many quality control (QC) parameters that must be analyzed in sugarcane juice. An alternative to other analytical methods is near-infrared spectroscopy (NIRS). NIRS allows the fast, simultaneous determination of several QC constituents without chemicals or sample preparation.

Near-infrared spectroscopy (NIRS) quickly assesses key quality parameters in palm oil such as iodine value and fatty acid profile without sample preparation.

The synthetic rubber known as Bromobutyl (BIIR) has many of the attributes of butyl rubber, but has better adhesion to other rubbers and metals, resulting in substantially faster cure rates. The simultaneous quantification of the bromine content, Mooney viscosity, volatile content, calcium stearate content, and functional bromide in BIIR can be easily performed with near-infrared spectroscopy (NIRS) without the use of chemicals.

100% starting materials identification testing is one of the FDA’s directives as per 211.84 for FDA regulated industries such as Pharmaceutical, Vaccines, Cosmetics, Tobacco, Animal veterinary products, Food, etc. STRam®-1064 is a Raman analyzer uniquely suited for this purpose. It measures samples through thick packaging materials such as plastics, multilayer kraft paper sacks, and HDPE containers. A long wavelength laser is used to suppress fluorescence. The ID algorithm isolates the sample signature by subtracting that of the packaging material and compares that with library spectra to achieve identification.

This Application Note shows the feasibility of NIR spectroscopy for the analysis of density in polyethylene granulates. Compared to the standard method, NIRS analysis shows a lower prediction error when air bubbles are present in PE pellets.

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

Modern recreational use of DMT (N,N-Dimethyltryptamine) is growing and although it is legally protected in some countries, new legislation attempts to reduce its abuse and associated adverse health effects. MIRA XTR DS from Metrohm Raman provides rapid and sensitive detection of DMT in the field.

Typically, cannabis potency testing is performed by HPLC, but the drawback is that it requires chemicals and it is time-consuming. Near-infrared spectroscopy (NIRS) is a preferred method for quantification of THC, CBD and CBG in dried cannabis because it provides results in less than a minute and does not require any chemicals.

This Process Application Note presents a method to accurately monitor low levels of moisture in tetrahydrofuran (THF) in «real-time» safely, reliably, and optimally with a 2060 The NIR Analyzer from Metrohm Process Analytics. Due to the hazardous and hygroscopic nature of THF, a single explosion-proof inline process analyzer is the preferred solution for industries to reduce chemical treatment, improve product quality, and increase profits.

In this Application Note, MISA (Metrohm Instant SERS Analyzer) from Metrohm Raman excels in the detection of the pesticide acetamiprid on commercially sold raisins. MISA is a viable alternative to analytical laboratory testing in the quest to prevent contaminated foods from reaching and harming consumers.

The standard test method for ash content analysis is thermogravimetric analysis (TGA). Although TGA is easy to perform, it is time-intensive and requires the use of nitrogen gas. In contrast to the primary method, near-infrared spectroscopy (NIRS) is a fast analytical technique which can measure multiple parameters including ash content in polymers within one minute.

This application note presents the Orbital Raster Scan (ORS) technology from Metrohm Raman to overcome low resolution, poor sensitivity, and sample degradation while still interrogating a large sample area.

Raman analysis of fentanyl-soaked paper, SERS detection range for fentanyl on paper, and real-world example of fentanyl identification.

With MISA and MIRA, easy-to-use test kits and flexible sampling allow rapid and accurate interrogation of suspect materials with minimal time, training, and expense.

Signal-to-noise ratio, spectrograph design, resolution of MIRA handheld Raman analyzers.

SERS (Surface-Enhanced Raman Scattering) detection of a toxic dye (Sudan 1) used to adulterate saffron demonstrates the power of MISA (Metrohm Instant SERS Analyzer) for simple, portable food authentication in this Application Note.

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

Enhance quality control in material and chemical production with NIRS. Fast, cost-effective, and no sample prep needed. Learn more in our eBook.

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.

In this White Paper, you will learn about MIRA XTR DS – the smallest, smartest, most flexible handheld Raman system with the largest libraries available on the market! MIRA XTR DS has all the benefits of 785 nm Raman interrogation: compact size, low laser power, sample preservation, long battery lifetimes... now with fluorescence rejection. Additionally, there is improved sensitivity and resolution over 1064 nm systems. This opens up new possibilities for 785 nm Raman, including strongly colored materials, common excipients, illicit materials, and more.

The fermentation of corn starch to produce ethanol is a complex biochemical process that requires monitoring of many different parameters (e.g., solids, pH, sugar profile, glycerol, lactic and acetic acid, and water and ethanol content). Traditional laboratory analysis using primary methods (e.g. Karl Fischer titration) takes about an hour to complete and is a limiting step for increasing plant capacity and efficiency. As a fast and non-destructive analytical technique, near-infrared spectroscopy (NIRS) can replace routine laboratory analysis, decreasing operating costs and increasing plant efficiency and capacity. This White Paper describes the capabilities of the modern analytical method near-infrared (NIR) spectroscopy for monitoring and improving the fermentation process of corn to ethanol.

Handheld Raman is ever evolving. The combination of large libraries, a compact and easy-to-use system, and predictive Hazmat software make MIRA DS a powerful tool for defense and security professionals. Identify on-site materials, get hazard information, and make quick decisions about response to dangerous situations.

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!

Like any defense and security professional, border agents must quickly and accurately identify suspicious substances at the point of contact. When that substance is fentanyl, which is deadly in microdoses, the stakes are even higher. The Mira DS handheld Raman system from Metrohm Raman offers safe, no-contact identification of over 200 fentanyl analogues. Mira DS protects border agents, while they protect citizens from deadly narcotics, drug smugglers, and illegal entry of goods.

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.

The production of biofuels from renewable feedstock has grown immensely in the past several years. Bioethanol is one of the most interesting alternatives for fossil fuels, since it can be produced from raw materials rich in sugars and starch. Ethanol fermentation is one of the oldest and most important fermentation processes used in the biotechnology industry. Although the process is well-known, there is a great potential for its improvement and a proportional reduction in production costs. Due to the seasonal variation of feedstock quality, ethanol producers to need to monitor the fermentation process to ensure the same quality product is achieved. Near-infrared spectroscopy (NIRS) offers rapid and reliable prediction of ethanol content, sugars, Brix, lactic acid, pH, and total solids at any stage of the fermentation process.

PVC (polyvinyl chloride) foils with a PVDC (polyvinylidene chloride) coating are often used for high performance packaging films like pharmaceutical blister packs or in food packaging. In multi-layer blister films, the PVC serves as the thermoformable backbone structure, whereas the PVDC coating acts as a barrier against moisture and oxygen. The Water Vapor Transmission Rate (WVTR) and Oxygen Transmission Rate (OTR) are influenced by the composition and the thickness of the coating. A fast way to monitor PVDC coating thickness is with near-infrared spectroscopy. Results are provided in a few seconds, indicating when adjustments in the polymer production process are necessary.

Electrochemistry, spectroscopy, and spectroelectrochemistry (SEC) are widely used techniques in many fields. However, the data curves obtained from these analyses are quite varied, and not all electrochemical peaks and spectroscopic bands can be measured with the same procedures. This Application Note examines four tools included in the DropView 8400 and DropView SPELEC softwares to facilitate the measurement and analysis of the collected curves and data. The following measurement options are explained in detail: automeasurement, set on curve measurement, set free measurement, and set step measurement.

Cell fermentation processes are a reliable production method for small molecules and protein-based active pharmaceutical ingredients (APIs). The fermentation process requires monitoring of many different parameters to ensure optimal production. These quality parameters include pH, bacterial content, potency, glucose, and concentration of reducing sugars. Traditional laboratory analysis takes a significant amount of time and requires different analytical techniques to monitor these different quality parameters. Near-infrared spectroscopy (NIRS) offers a faster and more cost-efficient alternative to traditional methods for the determination of critical parameters in fermentation broths at any stage of the fermentation process.

To monitor the quality of PVC (polyvinyl chloride), it is important to measure the molecular weight during the production process, as this parameter has a significant influence on chemical and mechanical stability as well as fire retardant properties. The standard method to determine PVC molecular weight, defined here as the average weight of the molecules that make up the polymer, is by size exclusion chromatography (SEC). This analytical method is time-intensive and requires trained personnel to perform. Determining the molecular weight of PVC is easier with near-infrared spectroscopy (NIRS). NIRS provides results in just a few seconds and can quickly indicate when adjustments to the production process are necessary.are necessary.

Alkaline additives in engine lubricants are used to prevent the build-up of acids and as a result, they inhibit corrosion. The total base number (TBN) indicates the amount of basic additives present in samples and thus can be used as a measure for the degradation of the lubricant. The standard test method for TBN in lubricants is potentiometric titration according to ASTM D2896. This method requires the use of toxic reagents involves a labor-intensive cleaning procedure. In contrast to the primary method, near-infrared spectroscopy (NIRS) is a fast analytical technique which does not produce any chemical waste and completes the TBN analysis in less than one minute.

This application note presents near-infrared spectroscopy (NIRS) for the rapid and reliable simultaneous quantification of ethanol, glycerol, hydrogen peroxide, and water content in hand sanitizer formulations.

This Application Note highlights near-infrared spectroscopy as a faster, cost-effective alternative to KF titration for predicting water content in diesel fuel.

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.

This application note presents near-infrared spectroscopy (NIRS) as an alternative for bromine number determination in pyrolysis gasoline.

In refineries, high octane products are desired since they are used to produce premium gasoline. Catalytic reforming converts heavy naphtha into a high octane liquid product called reformate (a mixture of aromatics and iso-paraffins C7 to C10). The reformate must be constantly monitored to ensure high throughput along the refining process. Traditionally, the octane numbers can be measured by two different methodologies: Inferred Octane Models (IOM) and laboratory octane engine analysis. However, these do not provide «real-time» results and require constant maintenance and human intervention to adapt to current operation conditions. «Real-time» analysis of the octane number in fuels can be performed online via near-infrared spectroscopy (NIRS) technology, which fits well within the international standards (ASTM). Utilization of a Metrohm Process Analytics NIRS XDS Process Analyzer (ATEX version) in conjunction with a sample preconditioning system makes analysis of the octane number simple, fast, and reliable, allowing quick adjustments to the process for a better quality product and higher profitability.

Vis-NIR spectroscopy is used to determine the droplet morphology in hair conditioner. This Application Note shows that near-infrared (NIR) spectroscopy can be used to distinguish between unprocessed and processed hair conditioner and to qualify quality parameters such as the droplet size.

Sulfathiazoles are sulfonamides with antibiotic effect that occur in various polymorphous forms and that are often used in veterinary medicine. This Application Note shows the differentiation between commercial and sulfathiazole form I using near-infrared spectroscopy (NIRS) with the help of the overtone frequencies of N-H stretching vibration. Form I is the least stable polymorphous form. Crystallization and polymorphism must be monitored as part of quality controls. In this, NIRS is considerably more rapid and more reliable than conventional laboratory methods.

This Application Note shows the determination of two important additives – butylglycol and propylheptyl alcohol – in water-soluble lacquers using Vis-NIR spectroscopy. Other lacquer constituents can also be determined in addition to the two additives.

The purity of a recovered solvent (dichlormethane/methylene chloride) and two of its most important contaminants (methanol and water) are monitored with NIR spectroscopy.

This Application Note describes how the accuracy of your NIR measurements can be increased with instrument calibration.

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 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.

The present Application Bulletin describes applications that use near-infrared spectroscopy. Each application describes the used and alternatively deployable spectrometer as well as analysis conditions and results and, where available, information on feasibility studies.

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.

The TacticID®-1064 ST is a 1064 nm handheld Raman system designed for law enforcement officials, first responders, and customs and border protection officers for rapid field identification of illicit substances such as narcotics, explosives, and other suspicious materials.The TacticID-1064 ST is specially designed with see-through Raman functionality to measure materials through both transparent and opaque containers. These through-barrier measurements remove the need for active sampling of potentially dangerous compounds such as fentanyl, leading to safer operations and reduced wait time for clear results.

Stamps are cultural heritage objects that provide an invaluable amount of historical information. There is an increase of counterfeit historical inks and it is imperative that fraudulent stamps can be identified and removed from the market. The portable Raman i-Raman EX® with a 1064 nm laser is used because it minimizes the fluorescence of the ink. The i-Raman EX® also has the functionality of low laser power reduction down to 1% to prevent sample burning and the Raman video microscope system analyzes the smallest of details, which is imperative for cultural heritage analysis of an 1885 historical envelope.

The TacticID®-GP Plus has multiple measurement modes to support safety and security users. A-Mode allows the user to create library Raman or SERS spectra customizable for spectral search range and hit quality index (HQI) threshold. A-mode is of beneficial use to forensics laboratories that would like to utilize expansion of SERS detection of designer drugs specific to their geographical regions or for food safety in perspective markets. In this example, A-Mode is used to create a SERS library of melamine to easily detect the presence of melamine in infant formula using a single indicator peak.

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.

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.

Handheld Raman is used for raw material testing of different sample types and forms. The use of optimized sampling accessories enhances the utility of handheld Raman without compromising data quality or complicating testing.

This technical note is to demonstrate the NanoRam material identification through dark brown plastic bags. NanoRam is shown to work for material identification inside dark brown polyvinyl bag.

Handheld Raman solutions have improved the ability to do complete incoming raw material testing quickly without the need for sample preparation. The NanoRam handheld Raman contributes to increased quality testing with a cost-effective technology used at point of receipt, thus minimizing steps to material acceptance, giving a high return on investment (ROI).

The benefits of a TE-cooled spectrometer in Raman systems are discussed to deliver lower system noise over longer integration times, resulting in lower limits of detection.

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.

Analytical methods to perform CU testing should ideally be fast, noninvasive and achieved with limited sample preparation. Recently, transmission near-infrared (NIR) spectroscopy and transmission Raman spectroscopy have both been explored as alternative methods for rapid and non-destructive on- and at-line CU testing with no sample preparation. Although quick and nondestructive, transmission NIR spectroscopy suffers from poor chemical selectivity and is sensitive to changes in the testing environment. Transmission Raman spectroscopy combined with chemometric modeling is quickly emerging as a valued technique for CU testing due to its high chemical specificity, which is particularly useful when dealing with complex pharmaceutical formulations that contain multiple components.

Today’s Raman instrumentation is faster, more rugged, and less expensive than previous instrumentation.The design of high performance, portable and handheld devices has introduced the technology to new application areas that were previously not possible with older, more cumbersome instruments. Handheld Raman instruments such as the NanoRam® from B&W Tek are well-suited for pharmaceutical applications such as the testing of raw materials, verification of final products and the identification of counterfeit drugs due to the technique’s extremely high molecular selectivity.

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.

Urea in widely employed as a nitrogen-release fertilizer with more than 90 % of urea production destined for agricultural applications. Urea is also known to form complexes with fatty acids, which have been employed for separation of complex mixtures and purification processes. In this application note, we present the quantification of the concentration of urea in ethanol by Raman Spectroscopy and show how this method can be employed for determining the percentage of urea in a solid inclusion compound with stearic acid.

Portable Raman is used to quantify trigonelline, an alkaloid that contributes to the health benefits of some foods. A simple method to quantify the presence of diluted trigonelline in solutions using surface enhanced Raman spectroscopy is described. Portable Raman is a tool that could be used in quality control of food items such as coffee and quinoa.

Raman spectroscopy is used widely by law enforcement as a field screening tool due to its speed, selectivity and ease of use. The majority of materials can be identified by the Raman signature, as they exhibit sharp distinctive peaks serving as a molecular fingerprint. However, many street and real-world samples are dark in color and not pure. The dark color, often due to impurities, gives rise to fluorescence that interferes with the Raman measurement. One method to suppress the fluorescence of a sample and enhance the Raman activity / signal is by the use of Surface-Enhanced Raman Spectroscopy (SERS).

Portable Raman spectroscopy is an invaluable tool in the study of archaeological sites, allowing for in situ analysis which minimizes the impact of such studies on important cultural sites. The flexibility of the use of a fiber optic probe and tripod-mounted video microscope with a light weight instrument reduces the need for sampling, and increases the ability to make representative measurements over what can be very large sample areas. The information content of Raman spectroscopy aids in the understanding of the materials used in the construction and restoration of important archaeological sites, and in understanding the degradation that is occurring which should aid in preservation and restoration work.

In this article portable Raman spectroscopy as an effective tool for at-line characterization of carbon black is presented. Raman spectroscopic analysis can be an effective test to characterize carbon black material, including the structural order.

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.

The NanoRam is a state-of-the-art, handheld Raman spectrometer for the rapid identification of chemicals used in the pharmaceutical manufacturing process. It has been specifically designed for these applications and is fully compliant with all the major global regulatory, safety, and commercial testing agencies applicable to the pharmaceutical industry.

Quality control is impacted by multiple challenges, which can have an influence on the functioning of the QC lab. The present White Paper provides approaches, how to simplify the daily quality control using near-infrared spectroscopy combined with a dedicated smart software like Vision Air.

Near-Infrared spectroscopy (NIRS) is a widely used analytical technique for quantitative analysis of various products in research and industrial applications. This white paper summarizes the workflow of the development of quantitative methods according to ASTM E1655.

This White Paper compares the two most commonly used technologies in near-infrared spectroscopy: Predispersive monochromator technology and Fourier transformation technology. In addition to measurement speeds and captured spectral ranges, the noise levels and the signal-noise ratios associated with them are also contrasted with one another.

Uniformity of dosage units must be tested for QC purposes in the pharma industry. NIRS gives results in seconds along with the quantification of APIs and excipients.

The acid number (AN) is a measure for the quality of oils and their potential to enhance corrosion. When analyzing fresh, unused oils, the AN is used to ensure the specified quality from the manufacturer, whereas for used oils the AN is determined to observe its increase until a critical level is reached. Although it is generally assumed that the AN correlates to the corrosive potential of the oil, this is not exactly correct, as it is the change of the AN value which indicates this issue. Therefore it is necessary to determine the AN on a regular basis.Several standards already exist to determine AN via titration methods, however it is also possible to measure this parameter via spectroscopic (NIRS) methodology. No matter which technique you choose, Metrohm has you covered with high-performance instruments suitable for these published norms.

Handheld Raman spectroscopy enables rapid polymer masterbatch analysis, while Metrohm’s XTR® algorithm mitigates fluorescence interference for accurate additive identification.

Spectroelectrochemical experiments not only provide outstanding qualitative information about samples, but also offer other quantitative data that can be considered when performing analyses. A single set of experiments allows analysts to obtain two calibration curves: one with the electrochemical data and another with the spectroscopic information. The concentration of tested samples is calculated by using both curves, confirming the obtained results by two different routes. In this Application Note, comparison between electrochemical and spectroscopic determinations demonstrates that the two methods measure uric acid (UA) indistinctively, with close agreement of the calculated values with empirical data.

In-situ spectroelectrochemistry provides dynamic electrochemical and spectroscopic information concurrently with the redox reaction occurring on the electrode surface. Although different spectroelectrochemical configurations can be used, simple equations explain how to relate electrochemistry and spectroscopy for each experimental setup. This Application Note describes how the quantification of one electrochemical parameter (the diffusion coefficient) is calculated from the spectroscopic data as a proof of this concept.

Handheld Raman spectrometers are valued for their ability to provide onsite material identification in seconds. In the case of combination pharmaceuticals, a single tablet contains more than one active ingredient in different proportions. MIRA DS is uniquely capable of identifying multiple compounds in such tablets by using Raman to identify the major component and SERS (surface-enhanced Raman spectroscopy) for the minor component. This application describes quick, dual analysis of a prescription medication containing acetaminophen and hydrocodone. The application is easily extrapolated to the study of street drugs.

Yaba, produced in Southeast Asia, is a popular drug of abuse and is actively targeted by police squads. Two strong and highly addictive stimulants make up Yaba: caffeine, which comprises up to 60% of each tablet, and methamphetamine at approximately 20%. Identifying these two active ingredients in different proportions in a colorful tablet with other excipients could be an analytical nightmare. With handheld Raman, bulk material identification is achieved in seconds onsite with simple point-and-shoot analysis. SERS (surface-enhanced Raman spectroscopy) analysis is used to detect the minor component in mixtures without interference from fillers, dyes, and coatings. MIRA DS is uniquely capable of both analyses—Raman testing positively identifies caffeine in Yaba, while methamphetamine can be detected with SERS sampling. This application describes quick, dual analysis of Yaba tablets with MIRA DS.

Material verification models with complex algorithms such as Principal Component Analysis (PCA), quasi-infinite parameters, and preprocessing options can be incredibly complex. Each model must be rigorously built, evaluated, and validated before it can be put into routine use. Mira P simplifies material verification for all. With a short, defined user workflow, straightforward results, and a foolproof Operating Procedure-based design, Mira P is already one of the simplest RMID tools available. ModelExpert, in Mira Cal P, does a chemometrician’s work. ModelExpert automatically determines the best model parameters for robust method development. With Mira P and ModelExpert, even non-technical users can achieve better results in a fraction of the time.

This application note discusses an alternative near-infrared (NIR) spectroscopy method that can reliably determine all parameters within a minute, even in complex acid mixtures.

Fast and reliable detection of phosphoric, sulfuric, nitric, and hydrofluoric acids with near-infrared spectroscopy in under one minute.

Determination of sodium laureth sulfate (SLES), cocamidopropyl betaine (CABP), cocamidopropylamine oxide (CAW), cocamide diethanolamine (DEA), and carbopol in shampoo is a cost- and time-intensive process due to the use of large volumes of chemicals per analysis. This application note demonstrates that the DS2500 Solid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a cost-efficient and fast solution for a simultaneous determination these parameters in shampoo. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows for the complete analysis in less than a minute.

Some studies suggest that consumption of the artificial sweetener, aspartame, is correlated with increased risk for brain and hematopoietic cancers, however, others find it to be a safe food additive. Consequently, the US and EU approve aspartame as a multi-purpose sweetener with an acceptable daily intake of 40 mg/kg body weight/day. However, the clear health hazard to individuals suffering from phenlyketonuria and ongoing criticism by health food advocates continues to fuel the challenge against aspartame’s widespread use in the food industry.Using Misa (Metrohm Instant SERS Analyzer), beverage products are screened for aspartame levels with no sample preparation beyond simple dilution of a consumer product.

Malathion is an insecticide widely used on a broad spectrum of plant species. Several studies have implicated chronic exposure to malathion in the development of certain cancers. Maximum residue limits for malathion have been enacted by the regulatory agencies of several countries: the US Food and Drug Administration sets maximum residue limits at 8 μg/g in foods, while the EU has a considerably more stringent limit of 20 ng/g.SERS is an accepted method for detection of malathion on fruit and vegetable surfaces. Misa (Metrohm Instant SERS Analyzer), which requires minimal laboratory chemicals and consumables and provides an extremely user-friendly interface, is an excellent SERS solution for trace detection of food adulterants.

Diphenylamine (DPA) is used as a dye fixative and antioxidant in industrial applications and as a produce preservative in agricultural operations. Food safety advocates are concerned that daily ingestion of DPA, particularly in foods meant for babies, could have negative effects on children’s health. To mitigate potentially toxic effects of DPA, both the US and EU stipulate a maximum residue limit (MRL) of 5 μg/g for whole pears and a stringent MRL of 10 ng/g for all processed baby foods.Misa (Metrohm Instant SERS Analyzer) provides a user-friendly and cost-effective alternative to traditional analytical methods used for detecting DPA in foods, such as GC-MS and GC-NPD.

Paraquat is a highly effective, yet exceptionally toxic herbicide used to manage weeds in agricultural operations. In recognition of paraquat’s danger, the EU and several other countries have banned its use for any application, though the US EPA permits its limited use by licensed applicators. Despite tight regulation, paraquat continues to be produced and is liberally used as an herbicide in over 100 countries without regulatory oversight.Testing for paraquat typically requires involved sample processing and analysis by trained chemists using expensive laboratory instruments such as HPLC, CE, and LC/MS. Misa achieves trace level detection of paraquat residue in tea leaves in a fully integrated, portable, smart system for easy on-site testing by non-technicians.

Brilliant Blue (BB) FCF, more commonly known as FD&C Blue #1, is the most commonly used blue dye worldwide for food and beverages. It is generally accepted as safe and non-toxic. Aside from foods labelled as organic or as free from artificial dyes, there is little objection to the use of BB at levels at or exceeding 100 μg/g in foods.This application for Misa (Metrohm Instant SERS Analyzer) is unique. The benefit is twofold — successful detection of a fluorescent dye, and a unique sample cleanup technique that permits detection of a target that does not exhibit a strong SERS signal and is present in a complex matrix. While Misa successfully detects BB in direct sampling, this application describes a simple extraction method that improves detectability of BB with Misa.

Thiram is used extensively as a fungicide and parasiticide to prevent disease in crops and as an animal repellent to protect trees and ornamental plants. However, extensive toxicological studies conclude that chronic, high-level exposure can cause considerable organ damage to land and aquatic species. The US defines maximum residue limits that vary for different food crops. In contrast, the EU recently banned thiram and is moving to use pesticides that carry reduced health risks.Using Misa (Metrohm Instant SERS Analyzer), low level detection of thiram on apples is achieved with guided workflows adapted for use by diverse testers.

Fenthion is a multi-purpose insecticide used in many countries for mosquito control. To minimize human exposure and the unintentional poisoning of wildlife, the US EPA has classified fenthion as a restricted-use insecticide. However, the widespread spraying of olive orchards in Mediterranean countries results in olive oils that occasionally exceed the maximum residue limits established for olives.Misa (Metrohm Instant SERS Analyzer) easily achieves sensitive trace detection of fenthion in spiked olive oil after a simple organic solvent extraction. This Application Note presents an excellent example of how the signal from SERS substrates can compete with the target signal at very low levels of detection.

Potassium ferrocyanide (KFC) is an anti-caking compound added to table salt. Although this is a common non-toxic food additive, its spectroscopic response is representative of analogous cyanide compounds. Trace detection of other cyanides in food products is essential to the safety of consumers, as they can be toxic at oral consumption levels as low as 20 μg/g.This application demonstrates rapid trace analysis of potassium ferrocyanide in table salt with Misa (Metrohm Instant SERS Analyzer), in a simple assay format with minimal use of laboratory reagents.

Malachite green (MG) is a textile dye with effective fungicidal properties, however it is acutely toxic and its metabolites persist in the flesh of fish and mammals, making it a threat to the human food chain. The EU has concluded that contaminated foods containing levels higher than 2 μg/g MG constitute a credible health risk, and several countries have banned malachite green as an aquaculture additive. Despite tight regulation, seafood products contaminated with MG continue to find their way to consumers.Using Misa (Metrohm Instant SERS Analyzer) to ensure food safety, the rapid and highly sensitive detection of malachite green is achieved in a facile assay format.

Pyrimethanil is a broad-spectrum fungicide. As grapevines are susceptible to fungal pathogens, large-scale viticulture operations apply pyrimethanil as part of a mixed treatment. Although chemical analysis of wines post-fermentation finds low to undetectable amounts of residue, pyrimethanil is a suspected human carcinogen. The US FDA and EU have therefore established a maximum permissible level of 5 μg/mL pyrimethanil in finished wine products.In this application, trace detection of pyrimethanil in wine with Misa (Metrohm Instant SERS Analyzer) requires few laboratory supplies and minimal sample processing, yet returns rapid results.

Carbendazim (MBC) is a common fungicide approved for regulated use in agriculture globally, outside of the EU. Most MBC is found on fruits as surface contamination, the result of sprays applied prior to harvest. The US EPA has determined that a concentrations below 80 μg/mL in orange juice are not a health risk, while the EU restricts MBC levels to 10 ng/g (from imported produce) in foods intended for baby food production.This Application Note describes a very simple test for surface MBC and provides library spectra demonstrating the sensitive detection of MBC with Misa (Metrohm Instant SERS Analyzer).

Erythrosine B (EB), also known as Red Dye #3, is a synthetic dye approved for use in candy in the US, and in pharmaceuticals and cosmetics in the EU and elsewhere. However, rodent studies suggest that ingestion of EB can promote thyroid tumor formation. EB may also be implicated as a dietary factor contributing to hyperkinesis in children. WHO recommends a daily intake of EB less than 0.1 mg/kg of body weight.The ability to obtain fast results with a portable test platform recommends Misa (Metrohm Instant SERS Analyzer) as a competitive and cost-effective alternative to laboratory technologies (e.g., CE, HPLC) currently employed for detecting EB in foodstuffs.

Metanil yellow (MY) is an azo dye used in the manufacture of external-use products such as textiles; however, it is prohibited from use as a food additive in many countries. Toxicology studies demonstrate that ingestion of MY results in significant neurological and multi-organ damage. Despite these hazards, MY is commonly used as an illicit colorant for enhancing the visual appeal of spices and legumes, most notably turmeric. Ideal tests for such food adulterants feature methods that are selective and sensitive, yet portable and convenient.Misa (Metrohm Instant SERS Analyzer) achieves rapid and accurate detection of MY in a facile assay format.

Auramine O (AO) is an industrial dye used for a broad range of manufactured products and as a fluorescent stain for detecting acid-fast bacteria in clinical specimens. Due to its intense yellow coloration, AO is also prized as an additive for enhancing the visual appeal of illicitly processed food products. Despite bans on AO as a food additive, surveillance testing indicates its persistent use as an adulterant in foods and spices.Misa (Metrohm Instant SERS Analyzer) achieves the rapid and sensitive detection of AO in curry powder in a simple assay format.

Thiabendazole (TBZ) is a broad-spectrum pesticide used both as a fungicide in fruits and vegetables and for controlling parasites in animal feed. To ensure consumer safety, regulatory agencies establish maximum residue levels (MRL) for pesticide-treated crops based on their review of risk assessment studies. For bananas, which are either aerially sprayed or dipped in protectant solutions of TBZ, the US FDA reports a MRL of 3 μg/g, and the EU stipulates a MRL of 6 μg/g by weight.With Misa (Metrohm Instant SERS Analyzer), the rapid and sensitive detection of TBZ on bananas is demonstrated in formats easily adapted for food safety surveillance testing.

Rhodamine B is a dye utilized extensively in biotechnology and industrial applications and is one of several colorants banned for use as food additives in Europe and North America. The most common analytical methods for detection of illicit dyes in food products, GC/MS and HPLC, are laboratory-based instrumental methods that require specialized training.With Misa (Metrohm Instant SERS Analyzer), detection of trace amounts of Rhodamine B in ground cayenne pepper is quick and easy after a facile extraction procedure with minimal material consumption. Rhodamine B can be detected in cayenne powder at a concentrations as low as 10 µg/g.

In 2008, a scandal was discovered in China that melamine was being deliberately added to raw milk. Thousands of young children and infants that consumed formula produced from melamine-tainted milk experienced kidney damage and death. As a result, both daily intake limits and increased monitoring of melamine in dairy products were established globally.Misa (Metrohm Instant SERS Analyzer) provides quick, easy, and robust detection of melamine in a complex food matrix. As a direct test with no additional reagents, Misa’s assay format requires minimal user training, in contrast to standard analytical tests for detecting melamine, including capillary electrophoresis, GC-MS, LC-MS, and immune-based assays.

Identification of unknown materials in the field can be a complicated affair, especially in critical situations, where speed, safety, and ease-of-operation are essential. Mira DS, Metrohm Raman’s handheld Raman analyzer, and the intelligent Universal Attachment (iUA) give the user automated Content ID capabilities. Content ID achieves through container identification of unknown materials quickly, easily, and safely.

Spectroelectrochemistry is a multi-response technique that provides both electrochemical and spectroscopic information about a chemical system in a single experiment, i.e., it offers information from two different points of view. Spectroelectrochemistry focused on the UV/VIS region is one of the most important combinations because this allows us to obtain not only valuable qualitative information, but also outstanding quantitative results. In this application note, the degradation kinetics for 4-nitrophenol, a known pollutant, were determined using SPELEC.

Spectroelectrochemistry is a multi-response technique that provides electrochemical and spectroscopic information about a chemical system in a single experiment, i.e., it offers information from two different points of view. Raman spectroelectrochemistry could be considered as one of the best techniques for both the characterization and behavioral understanding of carbon nanotube films, as it has traditionally been used to obtain information about their oxidation-reduction processes as well as the vibrational structure. This application note describes how the SPELEC RAMAN is used to characterize single-walled carbon nanotubes by studying their electrochemical doping in aqueous solution as well as to evaluate their defect density.

Polypropylene (PP) is a general purpose resin widely used in industries such as electronic manufacturing and construction, as well as in packaging materials. PP resins must be melted first in order to be formed into the intended shape, and therefore flow properties are important characteristics which affect the production process. The standard procedure to analyze melt flow rate (MFR) requires a significant amount of work with packing the sample, preheating, and cleaning. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows the analysis of MFR in less than a minute.

Safe and fast ethanol determination in hand sanitizers is possible with reagent-free near-infrared spectroscopy (NIRS). NIRS provides reliable results in a few seconds, quickly indicating when adjustments in formulation are necessary.

Determination of the density of polyethylene (PE) (ASTM D792) is normally a challenging procedure due to reproducibility difficulties. Measurement via FT-IR can be problematic when larger sample sizes must be analyzed due to sample inhomogeneity. This application note demonstrates that the DS2500 Solid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a reliable and fast solution for determination of the density of PE. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows the analysis of larger, inhomogeneous sample sizes of PE in less than a minute.

Cannabidiol (CBD) is a popular natural remedy from the cannabis plant used in many pharmaceutical, food, and cosmetic products. Unlike tetrahydrocannabinol (THC), CBD is not psychoactive, making it an appealing option for those who are looking for relief from pain and other symptoms without mind-altering effects. CBD oil is made by extracting the cannabinoid from the plant, then diluting it with a carrier oil (e.g., coconut or hemp seed oil). The standard HPLC method requires 45 minutes to perform by highly trained analysts. In contrast to the primary method, Vis-NIR spectroscopy is a cost-efficient and fast analytical solution for the determination of cannabinoid content in edible oils.

Identification of individual polymers with FT-IR spectroscopy can be a challenge due to sample inhomogeneity especially when larger sample sizes need to be analyzed. This application note demonstrates that the DS2500 Solid Analyzer operating in the visible and near infrared spectral region (Vis-NIR) provides a reliable and fast solution for the identification of high-density polyethylene (HDPE), low-density polyethylene (LDPE), and polypropylene (PP). With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows the identification of larger inhomogeneous sample amounts in less than a minute.

The quality control of diesel exhaust fluids (DEF) is key to ensure the optimal catalytic performance and prevent damage to the exhaust system in diesel vehicles. The standard method to determine urea content is measuring the refractive index (ISO 22241-2:2019). The issue is that although this method is fast, it is not as accurate as other methods (e.g., HPLC). This application note demonstrates that the DS2500 Liquid Analyzer provides a fast solution with high accuracy for the determination of urea in DEF. With no sample preparation or chemicals needed, visible near infrared (Vis-NIR) spectroscopy allows for the analysis of diesel exhaust fluids in less than a minute.

Determination of the vinyl content of silicone rubber is a lengthy and challenging process. First, the vinyl groups must be converted to ethylene by reacting with an acid, followed by the determination of the produced ethylene with gas chromatography (GC).This application note demonstrates that Vis-NIR (visible near-infrared) spectroscopy provides a cost-efficient and fast solution for the determination of vinyl content in silicone rubbers. With the DS2500 Solid Analyzer it is possible to obtain results in less than a minute without sample preparation or any chemical reagents.

In the semiconductor industry, thermoset resins combined with fabric or paper are used as an intermediate layer between substrates of printed circuit boards (PCB). These polymer-based sheets (laminates) are chosen depending on thickness and their thermomechanical and electrical characteristics. Near infrared spectroscopy (NIRS) is a fast, non-destructive and easy-to-use analytical method which allows the measurement of multiple key quality parameters in less than a minute. The following Application Note describes the determination of the transition time of PCB laminates by NIRS, a parameter correlating with the thickness, glass transition temperature, and tensile strength of the material.

The cetane index (ASTM D613), flash point (ASTM D56), cold filter plug point (CFPP) (ASTM D6371), D95 (ISO 3405), and viscosity at 40°C (ISO 3104) are key parameters to determine for diesel quality. The primary test methods are labor intensive and challenging due to the need to use different analytical methods. This application note demonstrates that the NIRS XDS RapidLiquid Analyzer provides a cost-efficient and fast solution (under 1 minute) for the simultaneous determination of these key parameters in diesel.

The quantification of residual moisture in lyophilized pharmaceutical peptides is an important measure for quality control in the pharmaceutical industry. For development purposes, such measurements are necessary and routinely performed during stability studies and to optimize the freeze-drying process (lyophilization). Currently, Karl Fischer titration is widely used for moisture determination in routine analysis. However, this method is time consuming and destroys the sample during analysis. This Application Note shows that near-infrared spectroscopy (NIRS) is a fast, reagentless, non-destructive method to determine moisture content in lyophilized pharmaceutical products.

Moisture content is one of the most commonly measured properties of fertilizers. Globally, regulations for different fertilizers vary, but local legal limits ensure that the maximum amount of water must not be exceeded. Next to gravimetric methods, Karl Fischer titration is often used for accurate moisture determination.Compared to these methods, near-infrared spectroscopy (NIRS) offers unique advantages: it generates reliable results within seconds, and at the same time does not create chemical waste. This Application Note explains how NIRS can offer fast, reagent-free analysis of moisture content in various fertilizer products.

Acid Number (AN) analysis of lubricants (ASTM D664) can be a lengthy and costly process due to usage of large amounts of chemicals and required cleaning steps of the analytical equipment between each measurement. This application note demonstrates that the XDS RapidLiquid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a cost-efficient, fast alternative for the determination of the acid number of lubricants. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows for the analysis of AN in less than a minute.

Polyvinyl alcohol (PVA) is a linear polymer, used in a variety of medical products (e.g. eye drops). Here, the degree of alcoholysis is an important index for the water solubility, viscosity, and adhesion of the product. The degree of alcoholysis is defined as the percentage of hydroxyl functional groups compared to the total functional groups accessible in the molecule. Conventional alcoholysis determination can take up to six hours per sample. Compared to the primary method, analysis with near-infrared spectroscopy (NIRS) only takes one minute. The following application note describes the determination of the degree of alcoholysis by NIRS.

Caprolactam is an important polymer used for the production of Nylon 6, which is the base material for industrial fibers. Due to its commercial significance, many different synthesis methods have been developed over the years. Caprolactam is hygroscopic and water soluble, therefore it is important to have a reliable analysis technique for water determination. Analyzing the water content by conventional methods requires each sample to be weighed, dissolved, heated, and titrated. Compared to the primary method, near-infrared spectroscopy (NIRS) offers unique advantages: it generates reliable results within seconds, but it does not need any sample preparation nor does it create chemical waste.

Specialty chemicals have to fulfill multiple quality requirements. One of these quality parameters, which can be found in almost all certificates of analysis and specifications, is the moisture content. The standard method for the determination of moisture content is Karl Fischer titration.This method requires reproducible sample preparation, chemicals, and waste disposal. Alternatively, near-infrared spectroscopy (NIR) can be used for the determination of moisture content. With this technique, samples can be analyzed without any preparation and without using any chemicals.

Functional group and viscosity analysis (ASTM D789) of polyamides can be a lengthy and challenging process due to the sample’s limited solubility. This application note demonstrates that the DS2500 Solid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a cost-efficient and fast solution for a simultaneous determination of the intrinsic viscosity as well as the amine, carboxylic, and moisture content in polyamides. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows for the analysis of polyamides in less than a minute.

Determination of isocyanates (ASTM D7252) is a challenging procedure due to the reactivity of these organic species with atmospheric moisture, as well as their toxicity. Furthermore, HPLC analysis typically used for this kind of analysis involves sample preparation steps and chemicals, with each measurement taking up to 20 minutes to complete. This application note demonstrates that the XDS RapidLiquid Analyzer operating in the visible and near infrared spectral region (Vis-NIR) provides a chemical-free and fast solution (under one minute) for determination of isocyanate content.

Toxic and corrosive chemicals such as p-toluenesulfonyl isocyanate (TSI) and tetrabutylammonium hydroxide are used for the Hydroxyl Number analysis of polyols by titration according to ASTM D4274-16. This application note demonstrates how the XDS RapidLiquid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a cost-efficient and fast solution for the determination of the hydroxyl (OH) number of polyols. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows for the analysis of polyols in less than a minute.

For lubricant analysis, determination of the Acid Number (ASTM D664), viscosity (ASTM D445), moisture content (ASTM D6304), and color number (ASTM D1500) require the use of multiple analytical technologies and, in part, large volumes of chemicals. This application note demonstrates that the XDS RapidLiquid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a fast and cost-efficient alternative for the determination of the AN, viscosity, moisture content, and color number of lubricants. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows for multi parameter analysis of lubricants in less than one minute.

Determination of key quality parameters of palm oil, namely free fatty acids (FFA), iodine value (IV), moisture content, deterioration of bleachability index (DOBI), and carotene require the use of several different analytical methods, which are laborious and can lack in accuracy. This application note demonstrates that the XDS RapidLiquid Analyzer operating in the visible and near infrared spectral region (Vis-NIR) provides a cost-efficient and fast solution for the determination of these quality control parameters in palm oil. With no sample preparation or chemicals needed, Vis-NIR spectroscopy allows for the analysis of palm oil in less than a minute and can be used by anyone.

Determination of the diethylene glycol content, isophthalic acid content, intrinsic viscosity (ASTM D4603), and the acid number (AN) of polyethylene terephthalate (PET) is a lengthy and challenging process due to the sample’s limited solubility and the need to use different analytical methods. This application note demonstrates that the DS2500 Solid Analyzer operating in the visible and near-infrared spectral region (Vis-NIR) provides a cost-efficient and fast solution for a simultaneous determination of these parameters in PET. Vis-NIR spectroscopy allows for the analysis of PET in less than one minute without sample preparation or using any chemical reagents.

In recent years, there has been a significant push to reduce the environmental impacts of fuels through improvements to fuel quality. The determination of key quality parameters of gasoline, namely research octane number (RON, ASTM D2699-19), motor octane number (MON, ASTM D2700-19), anti knock index (AKI), aromatic content (ASTM D5769-15), and density, conventionally requires several different analytical methods, which are laborious and need trained personnel. This application note demonstrates that the XDS RapidLiquid Analyzer, operating in the visible and near-infrared spectral region (Vis-NIR), provides a cost-efficient and fast solution for the multiparameter analysis of gasoline.

Pyrolysis gasoline (Pygas) is a by-product of ethylene production, which contains unwanted conjugated diolefins making it unsuitable as a motor fuel. To overcome this limitation, the olefin content needs to be reduced below 2 mg/g pygas in a selective hydrogenation unit (SHU). The diene value, or maleic anhydride value (MAV), is usually determined by the lengthy Diels-Alder wet chemical method (UOP326-17), requiring highly trained analysts. In contrast to the primary method, near-infrared spectroscopy (NIRS) is a cost-efficient and fast analytic solution for the determination of diene value in pyrolysis gasoline.

Rapid inline monitoring of the major SC1/SC2 bath constituents is possible with reagent-free near-infrared spectroscopy, e.g., the 2060 The NIR-R Analyzer.

Many fermentation quality parameters can be monitored simultaneously directly in the tank with inline near-infrared spectroscopy, such as the 2060 The NIR Analyzer.

This Application Note shows how NIRS is used for the multiparameter analysis of dry matter, pH value, viscosity, and surfactant content in liquid laundry detergent.

Substrates for surface-enhanced Raman spectroscopy (SERS) are typically fabricated with complex (micro/nano)structures of noble metals, enabling trace level detection of analytes. Due to the high costs and reactivity of these SERS substrates, they often have a limited shelf life. Development of new substrate materials which minimize these issues yet maintain the same performance standards is a constant concern.Screen-printed electrodes can be easily fabricated using different metallic materials with the well-established screen-printing method, leading to mass production of versatile, cost-effective, and disposable devices. In this Application Note, the feasibility of using readily-available screen-printed metal electrodes as suitable substrates for the fast and sensitive detection of different chemical species by in situ electrochemical SERS (EC-SERS) is shown.

In the pharmaceutical industry, the fluid bed granulator/dryer is an integral point in the manufacture of powdered materials. Residual moisture must be kept within certain specifications to avoid fracturing of particles or caking (stickiness) of the bulk material. Current methods are slow and cumbersome, which can lead to damaged or degraded product. The ability to monitor the residual moisture content inline after drying is possible with near-infrared spectroscopy (NIRS). The 2060 The NIR Analyzer offers fast, reagent-free, nondestructive analysis of residual moisture of powders with a fluid bed probe specifically designed for these applications.

Polyurethanes are a class of synthetic polymers formed by reacting liquid di/polyisocyanates and polyols with a catalyst and various additives in a reactor. Polymer properties are modified with stepwise additions of these chemicals at different points in time depending on whether the process has reached an equilibrium. NCO functional groups from unreacted isocyanates must be quenched at the end for a finished product, and this parameter must be known to determine the proper chemical mixing ratio. A fast, non-destructive real-time measurement of %NCO can be obtained by using NIR spectroscopy with a probe seated directly in the reactor.

Raman spectrometers use tightly focused beams to produce high resolution spectra, but fail at analyzing heterogeneous substances because they cannot spatially target all components. ORSTM (Orbital Raster Scan) increases the interrogation area on a sample while maintaining high spectral resolution. Effervescent cold medicines, for example, contain many active ingredients in each heterogeneous tablet. Traditional identification and verification techniques require the collection of several spectra at different points on the tablet. Mira spectrometers equipped with ORS capture a large interrogation area in a very short time, analyzing all of the ingredients in a single scan.

This Application Note describes the rapid and non-destructive identification of conventional organic solvents using hand-held Raman spectrometers. Measurements with the handheld Raman spectrometer Mira M-1 require no sample preparation and provide immediate and unambiguous results.

This Application Note documents the suitability of hand-held Raman spectrometers, e.g., the Mira M-1, for the identification and differentiation of salts such as carbonates, phosphates, and sulfates. The focus of the work was the rating of the influence of the cationic part and of the crystal water on the Raman spectroscopy identification of the salts.