Applications Spectroscopie

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.

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

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

Le NIRS mesure simultanément les paramètres de qualité importants du perméat de lactosérum (c'est-à-dire les cendres, le phosphate, le lactose, les protéines, le pH et l'humidité) sans aucune préparation d'échantillon.

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

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

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.

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.

Carbon materials are a remarkable choice as electrode surfaces. They are not only cost-effective and chemically inert, but also have a low background current and a wide potential window. Physical and chemical properties of new carbon nanomaterials depend mainly on their structure, so their characterization is essential to choose the right material for different applications.Raman spectroscopy is a very attractive technique for this purpose, effortlessly distinguishing information about the bond structure of carbon materials, and, therefore, about their possible properties. DropSens screen-printed electrodes (SPEs) are low-cost, disposable devices, available with working electrodes fabricated in several carbon materials. This Application Note describes how their properties can be studied by Raman spectroscopy.

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

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

La spectroscopie Raman permet d'effectuer des mesures rapides et non destructives des indicateurs de qualité du chocolat (par exemple, la teneur en cacao et en sucre) dans différents types de chocolat.

OMNIS Client/Server améliore les performances commerciales grâce à une gestion évolutive des serveurs, réduisant les coûts en diminuant le matériel, la consommation d'énergie et la maintenance sur tous les sites.

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.

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

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.

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.

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

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

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

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

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

La spectroscopie NIR permet une analyse rapide et fiable des principaux paramètres de qualité du fourrage de luzerne (par exemple, les protéines, les fibres et l'humidité) sans aucune préparation de l'échantillon.

La spectroscopie NIR permet une analyse rapide et sans produits chimiques des cendres, des protéines, de l'humidité et des propriétés rhéologiques de la farine - idéale pour les contrôles de qualité de routine en laboratoire ou en ligne.

La spectroscopie NIR permet une analyse rapide et sans réactif des graisses, de l'humidité, des protéines, des fibres, des cendres et de l'amidon dans les aliments pour animaux, rationalisant ainsi le contrôle de la qualité sans préparation des échantillons.

La spectroscopie dans le proche infrarouge (NIRS) offre une alternative rapide et sans solvant aux méthodes traditionnelles d'évaluation de la qualité de l'huile d'olive et de détection des fraudes alimentaires potentielles.

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.

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

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

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

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

Ce livre électronique explique comment les spectroscopies Raman et proche infrarouge (NIR) permettent une analyse rapide et non destructive des polymères, garantissant une qualité élevée tout en réduisant les coûts et les déchets.

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

Raman spectroscopy can easily monitor polymerization by tracking monomer consumption and polymer formation, providing a valuable tool for polymer manufacturers.

This application highlights Metrohm’s XTR® technology to identify colored polymers by extracting the Raman signal from spectra with strong background fluorescence.

Le polypropylène et le polyéthylène peuvent poser des problèmes de recyclage. Grâce à la spectroscopie dans le proche infrarouge (NIRS), les utilisateurs obtiennent des résultats sur la composition des polyoléfines en quelques secondes.

La spectroscopie proche infrarouge permet de rationaliser la production d'éthylène tétrafluoroéthylène en offrant une analyse rapide et sans produits chimiques du débit de la matière fondue et de la teneur en humidité.

Améliorez le contrôle qualité dans le secteur pétrochimique grâce à la technologie NIRS. Rapide, économique et sans préparation d'échantillons. Pour en savoir plus, consultez notre eBook.

Améliorez le contrôle qualité dans la production de matériaux et de produits chimiques grâce à la technologie NIRS. Rapide, économique et sans préparation d'échantillons. Pour en savoir plus, consultez notre eBook.

Water activity is an important parameter to measure for non-sterile pharmaceutical quality and stability. The OMNIS NIR Analyzer provides this data within seconds.

La spectroscopie dans le proche infrarouge (NIRS) peut déterminer la teneur en eau dans l'éther monométhylique du propylène glycol (PGME) en quelques secondes, comme le montre cette note d'application.

Determination of the identity and purity of ingredients is essential for the product quality of functional foods (neutraceuticals) and cosmetics. It prevents the utilization of inferior substances in the production process and thus avoids expensive delays and out-of-spec products. This Application Note describes the identification and checking of fatty acids in functional foods and cosmetics using the Metrohm Instant Raman Analyzer MIRA P.

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).

L'indice d'acidité (AN) est une mesure de la qualité des huiles et de leur capacité à favoriser la corrosion. Lors de l'analyse d'huiles fraîches et non utilisées, l'AN est utilisé pour garantir la qualité spécifiée par le fabricant, tandis que pour les huiles usagées, l'AN est déterminé pour observer son augmentation jusqu'à ce qu'un niveau critique soit atteint. Bien que l'on suppose généralement que le NA est en corrélation avec le potentiel corrosif de l'huile, ce n'est pas tout à fait exact, car c'est le changement de la valeur du NA qui indique ce problème. Plusieurs normes existent déjà pour déterminer l'AN par des méthodes de titrage, mais il est également possible de mesurer ce paramètre par une méthode spectroscopique (NIRS). Quelle que soit la technique choisie, Metrohm vous propose des instruments performants adaptés aux normes publiées.

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.

L'uniformité des unités de dosage doit être testée à des fins de contrôle de qualité dans l'industrie pharmaceutique. La NIRS donne des résultats en quelques secondes et permet de quantifier les principes actifs et les excipients.

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

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

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

Cette note d'application présente la spectroscopie dans le proche infrarouge comme une alternative plus rapide et rentable au titrage KF pour prédire la teneur en eau dans le carburant diesel.

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.

Raman instrumentation can use lasers of different laser excitation, giving the same Raman spectrum for a sample. This paper presents the specific strengths and weaknesses that different excitation wavelengths provide, allowing a user to optimize the measurement of different samples by their choice of Raman excitation laser wavelength.

Ce livre blanc présente le concept et les avantages de la spectroscopie NIR et donne plusieurs exemples d'applications réelles en laboratoire avec OMNIS NIRS, le spectromètre NIR de pointe de Metrohm.

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

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.

This Process Application Note provides a detailed account of the inline assessment of moisture during a pilot scale granulation process using a 2060 The NIR Analyzer.

A safer way to monitor moisture content in crude distillation unit overhead fractions is with inline near-infrared spectroscopy using the 2060 The NIR-Ex 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.

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 way to closely monitor multiple parameters simultaneously during the dioctyl terephthalate production process with near-infrared spectroscopy.

This Process Application Note presents a method to closely monitor low levels of moisture in propylene oxide safely and reliably by using a single explosion-proof inline process analyzer.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

La spectroscopie dans le proche infrarouge (NIRS) est une méthode d'analyse rapide et sans produits chimiques qui permet d'évaluer divers paramètres de qualité des barres chocolatées sans préparation de l'échantillon. La solution NIRS est facile à utiliser et peut être utilisée en ligne ou dans un laboratoire de contrôle de la qualité.

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.

Cette note d'application montre la faisabilité de la spectroscopie NIR pour l'analyse de la densité dans les granulés de polyéthylène. Par rapport à la méthode standard, l'analyse NIRS montre une erreur de prédiction plus faible lorsque des bulles d'air sont présentes dans les granulés de PE.

Cette application décrit la détermination de la teneur en humidité, azote et graisse dans des échantillons de selles humaines par la spectroscopie proche infrarouge. Il s'agit de paramètres très importants pour le diagnostic médical.

Livre blanc sur la spectroscopie Raman et l'électrochimie et leur combinaison (Raman électrochimique).

L'usage récréatif moderne du DMT (N,N-Diméthyltryptamine) est en augmentation et, bien qu'il soit légalement protégé dans certains pays, une nouvelle législation tente de réduire son abus et les effets néfastes sur la santé qui y sont associés. Le MIRA XTR DS de Metrohm Raman permet une détection rapide et sensible du DMT sur le terrain.

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.

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.

Dans cette note d'application, MISA (Metrohm Instant SERS Analyzer) de Metrohm Raman permet la détection du pesticide acétamipride sur des raisins secs vendus dans le commerce. MISA est une alternative viable aux tests analytiques en laboratoire dans la quête pour empêcher les aliments contaminés d'atteindre et de nuire aux consommateurs.

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.

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.

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.

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.

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.

Les produits chimiques spécialisés doivent répondre à de multiples exigences de qualité. L'un de ces paramètres de qualité, que l'on retrouve dans presque tous les certificats d'analyse et spécifications, est la teneur en humidité. La méthode standard pour la détermination de la teneur en humidité est le titrage Karl Fischer. Cette méthode nécessite une préparation reproductible des échantillons, des produits chimiques et l'élimination des déchets. Il est également possible d'utiliser la spectroscopie dans le proche infrarouge (NIR) pour déterminer la teneur en humidité. Avec cette technique, les échantillons peuvent être analysés sans aucune préparation et sans utiliser de produits chimiques.

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 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.

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.

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.

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.

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-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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

Les spectromètres Raman utilisent des faisceaux étroitement focalisés pour produire des spectres à haute résolution, mais ne parviennent pas à analyser des substances hétérogènes car ils ne peuvent pas cibler spatialement tous les composants. L'ORSTM (Orbital Raster Scan) augmente la zone d'interrogation sur un échantillon tout en maintenant une résolution spectrale élevée. Les médicaments effervescents contre le rhume, par exemple, contiennent de nombreux principes actifs dans chaque comprimé hétérogène. Les techniques traditionnelles d’identification et de vérification nécessitent la collecte de plusieurs spectres à différents points de la tablette. Les spectromètres Mira équipés d'ORS capturent une grande zone d'interrogation en très peu de temps, analysant tous les ingrédients en un seul scan.

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.

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.

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 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.

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 NIRS XDS Process Analyzer offers fast, reagent-free, nondestructive analysis of residual moisture of powders with a fluid bed probe specifically designed for these applications.

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.

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.

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.

Quantitation of the functionalization of a water-soluble polymer was achieved using a portable Raman spectrometer. The Raman spectrum provides strong, unique bands for both the initial and fully reacted polymer. This enables development of a simple, robust quantitative analysis of the percent polymer functionalization. This method is now routinely used in a manufacturing plant's quality control laboratory.

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.

Botanicals are derived from plant materials and used for their medicinal and therapeutic properties in the nutraceuticals market. They are not as heavily regulated by the U.S. Food and Drug Administration (FDA) like the pharmaceuticals drug market, but they are required to follow Good Manufacturing Practice (GMP Requirements).The NanoRam®-1064 is an asset for pharmaceutical identity testing, minimizing fluorescence generated by typical handheld Raman systems with 785 nm lasers. As such, the NanoRam®-1064 is used here to identify botanicals that would normally fluoresce with a 785 nm laser.

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.

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.

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.

The emergence of counterfeit prescription drugs has become a concern for the pharmaceutical industry. Because of the low concentrations of APIs found in pharmaceutical drugs, normal Raman spectroscopy is typically not sensitive enough to detect the API from the surface of a pill. In this study we develop a surface-enhanced Raman spectroscopy (SERS)-based approach to identify a low-dose of the API alprazolam in a Xanax tablet using a handheld Raman spectrometer. If no SERS peaks consistent with alprazolam are observed from a Xanax tablet, the pill is a suspected fake. The method demonstrates the power of SERS to quickly verify the presence of alprazolam in the tablet for anti-counterfeiting purposes.

For SERS developers and end users of SERS for specific applications to investigate low concetation levels of compounds, the centerpiece of their technological platform must be a Raman setup that provides reliable lab grade performance and is affordable and portable, allowing them to tackle real world problems. The portable i-Raman Plus system coupled with a BAC151 video microscope sampling accessory provides an ideal setup. With the performance and flexibility of use with different laser spot size and power for SERS research.

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.

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.

La quantification de l'humidité résiduelle dans les peptides pharmaceutiques lyophilisés est une mesure importante pour le contrôle de la qualité dans l'industrie pharmaceutique. À des fins de développement, de telles mesures sont nécessaires et régulièrement effectuées au cours des études de stabilité et pour optimiser le processus de lyophilisation. Actuellement, le titrage Karl Fischer est largement utilisé pour la détermination de l'humidité dans les analyses de routine. Cependant, cette méthode prend du temps et détruit l'échantillon pendant l'analyse. Cette note d'application montre que la spectroscopie dans le proche infrarouge (NIRS) est une méthode rapide, sans réactif et non destructive pour déterminer le taux d'humidité dans les produits pharmaceutiques lyophilisés.

Cette note d'application décrit l'identification par spectroscopie Raman de sucres tels que le D-galactose, le D-glucose, le D-maltose, le D-mannose, le D-sorbitol, le fructose, le saccharose et l'inositol. La détermination rapide et non destructive s'effectue après la création d'une base de données de spectres appropriée. Les mesures effectuées avec le spectromètre Raman portable Mira M-1 ne nécessitent aucune préparation de l'échantillon et fournissent des résultats immédiats et sans ambiguïté.

Cette note d'application documente l'adéquation des spectromètres Raman portables, par exemple le Mira M-1, pour l'identification et la différenciation des sels tels que les carbonates, les phosphates et les sulfates. Le travail s'est concentré sur l'évaluation de l'influence de la partie cationique et de l'eau cristalline sur l'identification des sels par spectroscopie Raman.

Les solides utilisés dans la construction des routes ont été analysés à l'aide d'un spectromètre Raman portatif. Les matériaux examinés sont des pigments et des résines conventionnels, par exemple CaCO3, TiO2 et DEGALAN®. Les spectres mesurés diffèrent considérablement les uns des autres. Afin d'évaluer les principales différences entre les structures chimiques, les pics des spectres ont été attribués aux groupes fonctionnels qui les ont générés.

Un aspect important de la collecte de données Raman pour les rendre comparables entre les appareils est la correction de l’intensité relative du spectromètre, car la réponse relative de chaque spectromètre Raman est unique. Les matériaux de référence standard (MRS) sont des verres optiques qui émettent un spectre de luminescence à large bande lorsqu'ils sont éclairés avec un laser Raman à une longueur d'onde spécifique. Ce spectre est appliqué en tant que correction de réponse d'intensité spectrale pour un appareil spécifique, afin d'éliminer les artéfacts de l'appareil. Le logiciel standard pour les appareils portables de la série i-Raman, BWSpec, offre des fonctions pour appliquer cette correction spécifique à l'appareil. Cette note technique explique la correction de l'intensité relative et comment l'appliquer à l'aide du logiciel BWSpec.

La teneur en eau est l'une des propriétés les plus couramment mesurées des engrais. Les réglementations applicables aux différents engrais varient d'un pays à l'autre, mais les limites légales locales garantissent que la quantité maximale d'eau ne doit pas être dépassée. Comparée à ces méthodes, la spectroscopie dans le proche infrarouge (NIRS) offre des avantages uniques : elle produit des résultats fiables en quelques secondes et ne génère pas de déchets chimiques. Cette note d'application explique comment la NIRS peut offrir une analyse rapide et sans réactif de la teneur en eau de divers produits fertilisants.

L'identification de polymères individuels par spectroscopie FT-IR peut s'avérer difficile en raison de l'inhomogénéité de l'échantillon, en particulier lorsqu'il s'agit d'analyser des échantillons de grande taille. Cette note d'application démontre que l'analyseur de solides DS2500 fonctionnant dans le domaine spectral visible et proche infrarouge (Vis-NIR) fournit une solution fiable et rapide pour l'identification du polyéthylène haute densité (HDPE), du polyéthylène basse densité (LDPE) et du polypropylène (PP). Sans préparation d'échantillon ni produits chimiques, la spectroscopie Vis-NIR permet d'identifier de grandes quantités d'échantillons inhomogènes en moins d'une minute.

Le cannabidiol (CBD) est un remède naturel populaire issu de la plante de cannabis et utilisé dans de nombreux produits pharmaceutiques, alimentaires et cosmétiques. Contrairement au tétrahydrocannabinol (THC), le CBD n'est pas psychoactif, ce qui en fait une option intéressante pour ceux qui cherchent à soulager la douleur et d'autres symptômes sans altérer l'esprit. L'huile de CBD est obtenue en extrayant le cannabinoïde de la plante, puis en le diluant dans une huile porteuse (par exemple, l'huile de noix de coco ou de graines de chanvre).La méthode HPLC standard est réalisée en 45 minutes par des analystes hautement qualifiés. Contrairement à la méthode primaire, la spectroscopie Vis-NIR est une solution analytique économique et rapide pour la détermination de la teneur en cannabinoïdes des huiles comestibles.

Dans l'industrie des semi-conducteurs, les résines thermodurcissables combinées à du tissu ou du papier sont utilisées comme couche intermédiaire entre les substrats des cartes de circuits imprimés (PCB). Ces feuilles à base de polymères (laminés) sont choisies en fonction de leur épaisseur et de leurs caractéristiques thermomécaniques et électriques.La spectroscopie proche infrarouge (NIRS) est une méthode d'analyse rapide, non destructive et facile à utiliser qui permet de mesurer plusieurs paramètres de qualité clés en moins d'une minute. La note d'application suivante décrit la détermination du temps de transition des stratifiés de PCB par NIRS, un paramètre en corrélation avec l'épaisseur, la température de transition vitreuse et la résistance à la traction du matériau.

Les feuilles de PVC (chlorure de polyvinyle) avec un revêtement PVDC (chlorure de polyvinylidène) sont souvent utilisées pour les films d'emballage à haute performance tels que les blisters pharmaceutiques ou les emballages alimentaires. Dans les films blister multicouches, le PVC sert de structure de base thermoformable, tandis que le revêtement PVDC agit comme une barrière contre l'humidité et l'oxygène. Le taux de transmission de la vapeur d'eau (WVTR) et le taux de transmission de l'oxygène (OTR) sont influencés par la composition et l'épaisseur du revêtement. 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.

La production de biocarburants à partir de matières premières renouvelables a connu un essor considérable au cours des dernières années. Le bioéthanol est l'une des alternatives les plus intéressantes aux combustibles fossiles, car il peut être produit à partir de matières premières riches en sucres et en amidon. La fermentation de l'éthanol est l'un des processus de fermentation les plus anciens et les plus importants utilisés dans l'industrie biotechnologique. Bien que le processus soit bien connu, il existe un grand potentiel d'amélioration et de réduction proportionnelle des coûts de production. En raison des variations saisonnières de la qualité des matières premières, les producteurs d'éthanol doivent surveiller le processus de fermentation pour s'assurer que le produit obtenu est de même qualité. La spectroscopie proche infrarouge (NIRS) permet une prédiction rapide et fiable de la teneur en éthanol, en sucres, en Brix, en acide lactique, en pH et en solides totaux à n'importe quel stade du processus de fermentation.

Les additifs alcalins dans les lubrifiants pour moteurs sont utilisés pour empêcher l'accumulation d'acides et, par conséquent, ils inhibent la corrosion. L'indice de basicité totale (TBN) indique la quantité d'additifs basiques présents dans les échantillons et peut donc être utilisé comme mesure de la dégradation du lubrifiant. La méthode de test standard pour le TBN dans les lubrifiants est le titrage potentiométrique conformément à la norme ASTM D2896. Cette méthode nécessite l'utilisation de réactifs toxiques et implique une procédure de nettoyage à forte intensité de main-d'œuvre. Contrairement à la méthode primaire, la spectroscopie dans le proche infrarouge (NIRS) est une technique analytique rapide qui ne produit aucun déchet chimique et permet d'effectuer l'analyse du TBN en moins d'une minute.

Pour l'analyse des lubrifiants, la détermination de l'indice d'acidité (ASTM D664), de la viscosité (ASTM D445), de la teneur en eau (ASTM D6304) et de l'indice de coloration (ASTM D1500) nécessite l'utilisation de plusieurs technologies analytiques et, en partie, de grands volumes de produits chimiques. Cette note d'application démontre que le XDS RapidLiquid Analyzer fonctionnant dans la région spectrale du visible et du proche infrarouge (Vis-NIR) constitue une alternative rapide et rentable pour la détermination de l'AN, de la viscosité, de la teneur en eau et de l'indice de coloration des lubrifiants. Sans préparation d'échantillon ni produits chimiques, la spectroscopie Vis-NIR permet une analyse multiparamétrique des lubrifiants en moins d'une minute.

Cette note d'application montre l'identification rapide et non destructive de l'alcool isopropylique de deux fabricants à l'aide de la spectroscopie Raman après la création d'une bibliothèque appropriée. Les mesures effectuées avec le spectromètre Raman portable Mira M-1 ne nécessitent aucune préparation de l'échantillon et fournissent des résultats immédiats qui identifient les échantillons sans ambiguïté.

Ces dernières années, les efforts se sont multipliés pour réduire l'impact des carburants sur l'environnement en améliorant leur qualité. La détermination des principaux paramètres de qualité de l'essence, à savoir l'indice d'octane recherche (RON, ASTM D2699-19), l'indice d'octane moteur (MON, ASTM D2700-19), l'indice anti-coups (AKI), la teneur en aromatiques (ASTM D5769-15) et la densité, nécessite traditionnellement plusieurs méthodes analytiques différentes, qui sont laborieuses et requièrent un personnel qualifié. Cette note d'application démontre que l'analyseur XDS RapidLiquid, fonctionnant dans la région spectrale du visible et du proche infrarouge (Vis-NIR), constitue une solution économique et rapide pour l'analyse multiparamétrique de l'essence.

Le polypropylène (PP) est une résine à usage général largement utilisée dans des industries telles que la fabrication électronique et la construction, ainsi que dans les matériaux d'emballage. Les résines PP doivent d'abord être fondues pour pouvoir prendre la forme voulue, et les propriétés d'écoulement sont donc des caractéristiques importantes qui influent sur le processus de production. La procédure standard d'analyse du taux d'écoulement de la matière fondue (MFR) nécessite une quantité de travail importante pour l'emballage de l'échantillon, le préchauffage et le nettoyage. Sans préparation d'échantillon ni produits chimiques, la spectroscopie Vis-NIR permet d'analyser le MFR en moins d'une minute.

La détermination de la densité du polyéthylène (PE) (ASTM D792) est normalement une procédure difficile en raison des difficultés de reproductibilité. La mesure par FT-IR peut être problématique lorsque des échantillons de grande taille doivent être analysés en raison de l'inhomogénéité de l'échantillon. Cette note d'application démontre que l'analyseur de solides DS2500 fonctionnant dans la région spectrale du visible et du proche infrarouge (Vis-NIR) fournit une solution fiable et rapide pour la détermination de la densité du PE. Sans préparation d'échantillon ni produits chimiques, la spectroscopie Vis-NIR permet l'analyse d'échantillons de PE plus grands et inhomogènes en moins d'une minute.

La détermination de la teneur en vinyle du caoutchouc de silicone est un processus long et difficile. Cette note d'application démontre que la spectroscopie Vis-NIR (visible proche infrarouge) offre une solution économique et rapide pour la détermination de la teneur en vinyle dans les caoutchoucs de silicone. Avec l'analyseur de solides DS2500, il est possible d'obtenir des résultats en moins d'une minute sans préparation d'échantillon ni réactifs chimiques.

Le contrôle de la qualité des fluides d'échappement diesel (DEF) est essentiel pour garantir une performance catalytique optimale et éviter d'endommager le système d'échappement des véhicules diesel. La méthode standard pour déterminer la teneur en urée est la mesure de l'indice de réfraction (ISO 22241-2:2019). Le problème est que, bien que cette méthode soit rapide, elle n'est pas aussi précise que d'autres méthodes (par exemple, HPLC).Cette note d'application démontre que l'analyseur de liquide DS2500 fournit une solution rapide avec une grande précision pour la détermination de l'urée dans le DEF. Sans préparation d'échantillon ni produits chimiques, la spectroscopie visible proche infrarouge (Vis-NIR) permet d'analyser les fluides d'échappement diesel en moins d'une minute.

La détermination sûre et rapide de l'éthanol dans les désinfectants pour les mains est possible grâce à la spectroscopie proche infrarouge (NIRS) sans réactif. La NIRS fournit des résultats fiables en quelques secondes, indiquant rapidement si des ajustements de la formulation sont nécessaires.

Cette note d'application décrit l'identification rapide et non destructive des solvants organiques conventionnels à l'aide de spectromètres Raman portatifs. Les mesures effectuées avec le spectromètre Raman portable Mira M-1 ne nécessitent aucune préparation de l'échantillon et fournissent des résultats immédiats et sans ambiguïté.

Les producteurs de marques génériques proposent des cosmétiques, des médicaments et d'autres produits en concurrence avec les marques nominales, souvent à un prix inférieur. Ce prix inférieur peut refléter l'absence de frais de recherche, de développement et de publicité, mais ne doit jamais impliquer une qualité inférieure, en particulier dans le cas des médicaments en vente libre. À titre d'exemple, les comprimés effervescents contre le rhume Equate (marque Walmart) promettent aux clients les mêmes ingrédients actifs dans les mêmes proportions et avec une efficacité identique à celle de l'Alka-Seltzer, mais à un prix bien inférieur. Cette note d'application démontre que la spectroscopie Raman peut vérifier avec succès que ces comprimés effervescents concurrents ne sont pas identiques. Le processus de vérification des ingrédients implique un test p, qui mesure la variabilité acceptable d'un spectre d'échantillon, par rapport à un ensemble d'entraînement représentatif.

L'électrochimie, la spectroscopie et la spectroélectrochimie (SEC) sont des techniques largement utilisées dans de nombreux domaines. Cependant, les courbes de données obtenues à partir de ces analyses sont très variées, et tous les pics électrochimiques et toutes les bandes spectroscopiques ne peuvent pas être mesurés avec les mêmes procédures. Cette note d'application examine quatre outils inclus dans les logiciels DropView 8400 et DropView SPELEC pour faciliter la mesure et l'analyse des courbes et des données collectées. Les options de mesure suivantes sont expliquées en détail : mesure automatique, mesure sur la courbe, mesure libre et mesure par palier.

La spectroscopie Vis-NIR est utilisée pour déterminer la morphologie des gouttelettes dans un après-shampooing. Cette Application Note montre que la spectroscopie proche infra-rouge (NIR) peut être utilisée pour différencier les après-shampooings non transformés des après-shampooings transformés et pour qualifier les paramètres de qualité tels que la taille des gouttelettes.

Les sulfathiazoles sont des antibiotiques sulfamidés utilisés fréquemment en médecine vétérinaire, qui apparaissent sous différentes formes polymorphes. Cette Application Note décrit la différenciation entre le sulfathiazole commercial et la forme I du sulfathiazole à l'aide de la spectroscopie proche infrarouge (NIRS) par le biais des harmoniques de la vibration d'élongation N-H. La forme I est la forme polymorphe la moins stable. La cristallisation et le polymorphisme doivent être surveillés lors du contrôle qualité. La NIRS s'avère dans ce domaine beaucoup plus rapide et fiable que les méthodes de laboratoire conventionnelles.

Cette Application Note montre la détermination de deux additifs importants, le butylglycol et le 2-propylheptanol, dans des peintures solubles dans l'eau par la spectroscopie Vis-NIR. En plus des deux additifs, d'autres composants de la peinture peuvent également être déterminés.

La pureté d'un solvant récupéré (dichlorométhane / chlorure de méthylène) et de deux de ses principales contaminations (méthanol et eau) est surveillée par spectroscopie NIR.

La présente Application Note décrit comment il est possible d'améliorer l'exactitude de la mesure NIR grâce au calibrage de l'appareil.

Cette Application Note montre que la spectroscopie NIR convient idéalement à révéler de faibles concentrations d’additifs dans le granulé de polypropylène. Ceci est démontré en prenant l’exemple du stabilisateur UV Tinuvin 770 et de l’agent anti-oxydant Irganox 225. En appliquant la régression linéaire multiple (RLM), les perturbations provenant des couches d’épaisseurs différentes et des interférences dans les granulés de polymères sont réduites à un minimum.

Le présent Application Bulletin décrit la technique unique de focalisation du système portable Raman de Metrohm « Mira » avec des méthodes conventionnelles. La méthode ici décrite est appelée « Orbital Raster Scan » (ORS). Des expériences montrent les avantages de la technique ORS en prenant l'exemple de la détermination et de la quantification de médicaments. Elle améliore la reproductibilité des signaux Raman de substances pharmaceutiques actives de manière ciblée (API) dans des médicaments froids et effervescents. Des temps d'analyses courts et une affectation améliorée et cohérente des spectres du médicament connu à l'aide de la bibliothèque de spectres sont d'autres avantages de cette technique ORS.

Le présent Application Bulletin décrit des applications où la spectroscopie proche infrarouge est mise en œuvre. Chaque application décrit le spectromètre utilisé et celui qui peut être utilisé en alternative ainsi que les conditions d'analyse et les résultats, et fournit des informations sur des études de faisabilité, dans la mesure où elles sont disponibles.

Le présent Application Bulletin inclut des applications NIR et des études de faisabilité sur des instruments NIRSystems dans l'industrie chimique. Des analyses qualitatives et quantitatives d'échantillons les plus divers sont présentées dans ce bulletin. Chaque application décrit l'appareil qui fut utilisé à l'origine pour l'analyse ainsi que le système recommandé pour l'analyse et les résultats obtenus.

Les timbres sont des objets du patrimoine culturel qui fournissent une quantité inestimable d'informations historiques. Les encres historiques contrefaites sont en augmentation, il devient impératif d'identifier les timbres frauduleux et de les retirer du marché. Le spectromètre Raman portable i-Raman EX® équipé d'un laser à 1064 nm est utilisé, vu qu'il atténue la fluorescence de l'encre. Le i-Raman EX® offre également la fonctionnalité de réduction à une faible puissance laser, jusqu'à 1 %, pour éviter la brûlure des échantillons. Le système de microscope vidéo Raman analyse les moindres détails, ce qui est impératif pour l'analyse du patrimoine culturel d'une enveloppe historique datant de 1885.

Le TacticID®-GP Plus dispose de plusieurs modes de mesure pour assister les utilisateurs en charge de la sécurité et de la sûreté. Le mode A permet à l'utilisateur de créer une bibliothèque de spectres Raman ou SERS personnalisable selon la plage de recherche spectrale et le seuil d'indice de qualité de corrélation (HQI, Hit Quality Index). Le mode A est d'une grande utilité pour les laboratoires de médecine légale qui souhaitent utiliser l'expansion de la détection SERS de médicaments de synthèse spécifiques à leurs régions géographiques ou pour la sécurité sanitaire des aliments sur les marchés en perspective. Dans cet exemple, le mode A est utilisé pour créer une bibliothèque SERS de mélamine afin de détecter facilement la présence de mélamine dans les préparations pour nourrissons à l'aide d'un seul pic indicateur.

Le Raman classique sonde généralement une très petite zone de l'échantillon à une densité de puissance élevée (PD pour Power Density) au point focal du laser sur l'échantillon, ce qui signifie que seule une partie limitée d'un échantillon est mesurée et que le résultat a tendance à être non reproductible pour un échantillon hétérogène. La densité de puissance élevée peut également provoquer le réchauffement ou la combustion des échantillons. L'adaptateur à large spot (LSA) pour les produits Raman portables de B&W Tek, possédant une zone d’échantillonnage beaucoup plus grande (4,5 mm de diamètre), est conçu pour surmonter ce type de problèmes.

La spectroscopie Raman portable est utilisée pour tester les matières premières de différents types et formes d'échantillons. L'utilisation d'accessoires d'échantillonnage optimisé améliore l'utilité de la spectroscopie Raman portable sans compromis sur la qualité des données ni tests compliqués.

Cette Technical Note fait la démonstration de l'identification de matériaux avec un NanoRam au travers de sacs en plastique brun foncé. Le NanoRam prouve son efficacité pour l'identification de matériaux placés à l'intérieur de sacs de polyvinyle brun foncé.