The Experts below are selected from a list of 192 Experts worldwide ranked by ideXlab platform

Christopher T. Elliott - One of the best experts on this subject based on the ideXlab platform.

  • a rapid food chain approach for authenticity screening the development validation and transferability of a Chemometric Model using two handheld near infrared spectroscopy nirs devices
    Talanta, 2021
    Co-Authors: Claire Mcvey, Terry F Mcgrath, Simon A Haughey, Christopher T. Elliott
    Abstract:

    Abstract This study assesses the application of a handheld, near infrared spectroscopy (NIRS) device, namely the NeoSpectra Micro, for the determination of oregano authenticity. Utilising a large sample set of oregano (n = 295) and potential adulterants of oregano (n = 109), Models were developed and validated using SIMCA 15 software. The Models demonstrated excellent predictability for the determination of authentic oregano and adulterant samples. The optimal Model resulted in a 93.0% and 97.5% correct prediction for oregano and adulterants, respectively. Different standardisation approaches were assessed to determine Model transferability to a second NIRS device. In the case of the second device, the best predictions were achieved with data that had not undergone any spectral standardisation (raw). Subsequently, the optimal Model was able to correctly predict 90% of authentic oregano samples and 100% of the adulterant samples on the second device. This study demonstrates the potential of the device to be used as a simple, cost effective, reliable and handheld screening tool for the determination of oregano authenticity, at various stages of the food supply chain. It is believed that such forms of monitoring could be highly beneficial in other areas of food authenticity analysis to help combat the negative economical and health implications of food fraud.

  • Simultaneous authentication of species identity and geographical origin of shrimps: Untargeted metabolomics to recurrent biomarker ions
    Journal of chromatography. A, 2019
    Co-Authors: Niladri S. Chatterjee, Olivier P. Chevallier, Ewa Wielogorska, Connor Black, Christopher T. Elliott
    Abstract:

    Mandatory disclosure of the species identity, production method, and geographical origin are embedded in the regulations and traceability systems, governing international seafood trade. A high-resolution mass spectrometry-based metabolomics approach could simultaneously authenticate the species identity and geographical origin of commercially important shrimps. The highly innovative approach spared the need for multiple testing methods which are in routine use currently. A robust Chemometric Model, developed using the metabolite fingerprint dataset, could accurately predict the species identity of the shrimp samples. Subsequently, species-specific biomarkers were discovered and a tandem mass spectrometry method for authentication of the species was developed. Two other Chemometric Models from the metabolomics experiment accurately predicted the geographical origin of king prawns and tiger prawns. The study has shown for the first time that food-metabolomics along with Chemometrics can simultaneously check for multiple seafood fraud issues in the global seafood supply-chain.

Veuthey Jean-luc - One of the best experts on this subject based on the ideXlab platform.

  • Handheld Near Infrared spectroscopy for cannabis analysis: from the analytical problem to the Chemometric solution
    2020
    Co-Authors: Deidda Riccardo, Damergi Dhouha, Coppey Florentin, De Bleye Charlotte, Coic Laureen, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, Esseiva Pierre, Veuthey Jean-luc
    Abstract:

    peer reviewedaudience: researcher, professional, student, popularization1 Introduction Cannabis sativa L. has one of the most controversial histories in our society. After many decades of prohibition, due to the presence in its inflorescences of the psychotropic Δ9-tetrahydrocannabinol (THC), nowadays its possible therapeutic role is getting attention from the scientific community. It follows that many countries are legalizing cannabis products containing THC for recreational and medical use. In parallel, another cannabinoid, naturally synthetized by the plant, is currently under the spotlight: cannabidiol (CBD). According to the legislation of most countries in Europe, cannabis with a THC content higher than 0.2-1% (depending on the country) is classified as illicit drug. On the other hand, CBD has not a psychotropic effect and cannabis with various contents of CBD can be easily found in dedicated shops. This type of cannabis is named “CBD like” to be distinguished from the illicit one, “THC like”. It is clear that the coming of these products in the legal market poses challenges to the police force to distinguish between licit and illicit cannabis when frisking a suspect. The need for a proper analytical tool to be quickly and easily applied by the police is a direct consequence of this problematic. Handheld near infrared (NIR) spectrophotometers implemented with a suited Chemometric Model look to be the best analytical solution. In fact, this user-friendly technique allows acquiring both qualitative and quantitative information about the sample directly on the field of interest [1, 2]. In this context, the development of a quantitative analytical method based on NIR spectroscopy to determine the THC content in cannabis sample was the object of this study. 2 Material and methods Cannabis samples containing different amounts of THC were provided by the School of Criminal Justice of the University of Lausanne. Cannabis inflorescences were analysed in three different physical forms (entire, crushed, and sifted inflorescences). Two different handheld spectrophotometers, the low cost NIR-S-G1 (Tellspec, Canada) and the high cost MicroNIR spectrophotometers (Viavi Solutions, California), were used to perform NIR analyses with the aim to compare the performance of both equipment. The data were acquired in the 950 – 1650 nm (10526 – 6060 cm-1) wavelength range and five spectra were acquired for each sample. Acquity UPLC system coupled to UV detector (Waters, Massachusetts) was used as a reference technique to quantify THC in the samples in order to calibrate and validate the Model. Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six different Partial Least of Squares (PLS) Models were built by using the spectra collected with the two selected NIR instruments. Since the homogeneity of the samples can impact the sampling representativeness and consequentially the predictive performance of a Model, the spectra were acquired on cannabis inflorescences in three physical forms (entire, crushed, and sifted) in order to study this aspect. In fact, cannabinoids are not uniformly present on inflorescences: they are more concentrated in the external parts of the inflorescences and less in the internal branches. This fact can easily lead to misestimate the real percentage of THC and be an important source of error if not taken into consideration. For each cannabis form, a specific Model was built with the aim to determine the THC content in the samples and easily individuate “THC like” cannabis. Ideally, the privileged cannabis form on which to build the Model is represented by the entire inflorescences. Indeed, this is the most common form of cannabis sequestered by police in the street and does not require any sample preparation. The calibration set consisted in different samples covering a relatively wide concentration range from 0.92 to 22.21 % of THC. An external validation set was built to evaluate the predictive performance of each Model. The Chemometric Models were then compared to choose the best suited instrument and Model based on the method purpose. 4 Conclusion The application of NIR spectroscopy to cannabis samples analysis showed to be suitable from an analytical point of view. The PLS Models allowed to predict the THC content in samples of cannabis inflorescences with an established precision. Moreover, handheld NIR spectrophotometers, allowing to perform analyses directly on the field of interest, make this method useful for out-lab analyses, such as for police controls. 5 References [1] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019. [2] Sánchez-Carnerero Callado, C., Nuñez-Sánchez, N., Casano, S., Ferreiro-Vera, C. The potential of near infrared spectroscopy to estimate the content of cannabinoids in Cannabis sativa L.: A comparative study. Talanta 191, 147 – 157, 2018

  • Handheld Near Infrared spectroscopy for cannabis analysis: from the analytical problem to the Chemometric solution
    2020
    Co-Authors: Deidda Riccardo, Damergi Dhouha, Coppey Florentin, De Bleye Charlotte, Coic Laureen, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, Esseiva Pierre, Veuthey Jean-luc
    Abstract:

    1 Introduction Cannabis sativa L. has one of the most controversial histories in our society. After many decades of prohibition, due to the presence in its inflorescences of the psychotropic Δ9-tetrahydrocannabinol (THC), nowadays its possible therapeutic role is getting attention from the scientific community. It follows that many countries are legalizing cannabis products containing THC for recreational and medical use. In parallel, another cannabinoid, naturally synthetized by the plant, is currently under the spotlight: cannabidiol (CBD). According to the legislation of most countries in Europe, cannabis with a THC content higher than 0.2-1% (depending on the country) is classified as illicit drug. On the other hand, CBD has not a psychotropic effect and cannabis with various contents of CBD can be easily found in dedicated shops. This type of cannabis is named “CBD like” to be distinguished from the illicit one, “THC like”. It is clear that the coming of these products in the legal market poses challenges to the police force to distinguish between licit and illicit cannabis when frisking a suspect. The need for a proper analytical tool to be quickly and easily applied by the police is a direct consequence of this problematic. Handheld near infrared (NIR) spectrophotometers implemented with a suited Chemometric Model look to be the best analytical solution. In fact, this user-friendly technique allows acquiring both qualitative and quantitative information about the sample directly on the field of interest [1, 2]. In this context, the development of a quantitative analytical method based on NIR spectroscopy to determine the THC content in cannabis sample was the object of this study. 2 Material and methods Cannabis samples containing different amounts of THC were provided by the School of Criminal Justice of the University of Lausanne. Cannabis inflorescences were analysed in three different physical forms (entire, crushed, and sifted inflorescences). Two different handheld spectrophotometers, the low cost NIR-S-G1 (Tellspec, Canada) and the high cost MicroNIR spectrophotometers (Viavi Solutions, California), were used to perform NIR analyses with the aim to compare the performance of both equipment. The data were acquired in the 950 – 1650 nm (10526 – 6060 cm-1) wavelength range and five spectra were acquired for each sample. Acquity UPLC system coupled to UV detector (Waters, Massachusetts) was used as a reference technique to quantify THC in the samples in order to calibrate and validate the Model. Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six different Partial Least of Squares (PLS) Models were built by using the spectra collected with the two selected NIR instruments. Since the homogeneity of the samples can impact the sampling representativeness and consequentially the predictive performance of a Model, the spectra were acquired on cannabis inflorescences in three physical forms (entire, crushed, and sifted) in order to study this aspect. In fact, cannabinoids are not uniformly present on inflorescences: they are more concentrated in the external parts of the inflorescences and less in the internal branches. This fact can easily lead to misestimate the real percentage of THC and be an important source of error if not taken into consideration. For each cannabis form, a specific Model was built with the aim to determine the THC content in the samples and easily individuate “THC like” cannabis. Ideally, the privileged cannabis form on which to build the Model is represented by the entire inflorescences. Indeed, this is the most common form of cannabis sequestered by police in the street and does not require any sample preparation. The calibration set consisted in different samples covering a relatively wide concentration range from 0.92 to 22.21 % of THC. An external validation set was built to evaluate the predictive performance of each Model. The Chemometric Models were then compared to choose the best suited instrument and Model based on the method purpose. 4 Conclusion The application of NIR spectroscopy to cannabis samples analysis showed to be suitable from an analytical point of view. The PLS Models allowed to predict the THC content in samples of cannabis inflorescences with an established precision. Moreover, handheld NIR spectrophotometers, allowing to perform analyses directly on the field of interest, make this method useful for out-lab analyses, such as for police controls. 5 References [1] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019. [2] Sánchez-Carnerero Callado, C., Nuñez-Sánchez, N., Casano, S., Ferreiro-Vera, C. The potential of near infrared spectroscopy to estimate the content of cannabinoids in Cannabis sativa L.: A comparative study. Talanta 191, 147 – 157, 2018.Peer reviewe

  • Near infrared spectroscopy as a screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons
    2020
    Co-Authors: Deidda Riccardo, De Bleye Charlotte, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, El Morabit Lamyae, Boccard Julien, Vernaz Nathalie, Tobolkina Elena, Veuthey Jean-luc
    Abstract:

    peer reviewedaudience: researcher, professional1 Introduction Human immunodeficiency virus (HIV) infection remains one of the major public health challenges over the world. In 2018, according to the Joint United Nations Program on HIV/AIDS, nearly 37.9 million people are living with HIV [1]. Antiretroviral therapy has shown a great effectiveness in reducing mortality and morbidity related to AIDS and has thus allowed AIDS to evolve from a deadly disease to a chronic one [2]. However, most of the antiretroviral drugs are still under patent protection, and therefore their price is a major barrier to their access in low- and middle-income countries. In this context, the “Doha Declaration” was adopted in 2001 allowing these countries to produce certain patented drugs, by giving them contractual licenses. These “unapproved generic drugs” present the same active principal ingredients (APIs), galenic form and dosage, but can differ in used excipients or additives [3]. In Switzerland, people living in prison (PLP) are often not covered by compulsory insurance and their access to treatment is therefore limited. In this context, Swiss Buyer’s clubs have been created with the aim of importing “unapproved generic drugs” via recognized suppliers based in low- and middle-income countries. Consequently, quality control tests have to be performed in order to guarantee the quality and safety of these pharmaceutical products [2, 3, 4]. Separation techniques, such as liquid chromatography (LC) and capillary electrophoresis (CE), remain the gold standard to determine the API content in pharmaceutical formulations quantitatively. However, they provide only limited information about other components of the sample, such as excipients and additives. Furthermore, as a sample preparation is required before analysis, their use implies the sacrifice of at least one sample, that is undesirable for expensive samples, or when a limited number of tablets is available. Therefore, near infrared spectroscopy (NIR) can offer relevant advantages allowing fast direct analysis of the samples without prior preparation [5]. The goal of this project is the evaluation of NIR spectroscopy as a screening tool to confirm the identity of tablets coming from different selected manufacturers. 2 Material and methods Drug samples were obtained from the Medical Direction Geneva University Hospitals. Handheld NIR-S-G1 (Tellspec, Canada) was used to perform NIR analyses. The wavelength range was from 900 to 1700 nm (11111 – 5882 cm-1). Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six patented anti-HIV drugs and their respective generic formulations have been selected for this study and analysed by NIR spectroscopy: Truvada® (emtricitabine, enofovir disoproxil), Descovy® (emtricitabine, tenofovir alafenamide), Atripla® (emtricitabine, tenofovir disoproxil, efevirenz), Isentress® (raltegravir), Tivicay® (dolutegravir), Triumeq® (dolutregavir, abacavir, lamivudine). Some of them present one or more API(s) in common. When building the data set, inter- and intra- batch variabilities were taken into consideration by selecting different batches. Ten tablets were selected from each batch and one spectrum was acquired on each sample. Before Modeling, various types of preprocessing were tested in order to better exploit the spectral information. Patented drugs often showed relevant spectral differences from their generic formulations. Since NIR spectroscopy allows obtaining information about both chemical and physical properties of samples, small differences in the formulations permitted to easily differentiate between the two. Data-driven soft independent Modelling of class analogy (DD-SIMCA) Models were chosen as one-class classification technique and a Model was built for each patented and generic drug. Based on a calibration set, this Chemometric tool allows the evaluation of a critical distance, which has been used to define the acceptance area limits for future identifications (α = 0.05). In fact, all the spectra falling within this area can be associated to the Modelled class and then to a specific pharmaceutical drug. 4 Conclusion NIR spectroscopy shows great potential as screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons. In fact, a proper Chemometric Model could be used to assess the identity and then the conformity of drugs before performing further tests, if required. 5 References [1] Global HIV & AIDS statistics – 2019 fact sheet. [cited 2019 Nov 27]. Available from: https://www.unaids.org/en/resources/fact-sheet [2] WHO, UNAIDS, UNDP. Using TRIPS flexibilities to improve access to HIV treatment, 2011. [cited 2019 Nov 27] Available from: http://files.unaids.org/en/media/unaids/contentassets/documents/unaidspublication/2011/JC2049_PolicyBrief_TRIPS_en.pdf [3] WTO Ministerial conferences – Doha 4th Ministerial – TRIPS declaration. [cited 2019 Nov 2019] Available from: https://www.wto.org/english/thewto_e/minist_e/min01_e/min01_e.htm [4] Vernaz, N., Calmy, A., Hurst, S., Jackson, Y., Negro, F., Perrier, A., Wolf, H. A buyers’ club to improve access to hepatitis C treatment for vulnerable populations. Swiss Med Wkly. 2018 [5] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019

  • Near infrared spectroscopy as a screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons
    2020
    Co-Authors: Deidda Riccardo, De Bleye Charlotte, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, El Morabit Lamyae, Boccard Julien, Vernaz Nathalie, Tobolkina Elena, Veuthey Jean-luc
    Abstract:

    1 Introduction Human immunodeficiency virus (HIV) infection remains one of the major public health challenges over the world. In 2018, according to the Joint United Nations Program on HIV/AIDS, nearly 37.9 million people are living with HIV [1]. Antiretroviral therapy has shown a great effectiveness in reducing mortality and morbidity related to AIDS and has thus allowed AIDS to evolve from a deadly disease to a chronic one [2]. However, most of the antiretroviral drugs are still under patent protection, and therefore their price is a major barrier to their access in low- and middle-income countries. In this context, the “Doha Declaration” was adopted in 2001 allowing these countries to produce certain patented drugs, by giving them contractual licenses. These “unapproved generic drugs” present the same active principal ingredients (APIs), galenic form and dosage, but can differ in used excipients or additives [3]. In Switzerland, people living in prison (PLP) are often not covered by compulsory insurance and their access to treatment is therefore limited. In this context, Swiss Buyer’s clubs have been created with the aim of importing “unapproved generic drugs” via recognized suppliers based in low- and middle-income countries. Consequently, quality control tests have to be performed in order to guarantee the quality and safety of these pharmaceutical products [2, 3, 4]. Separation techniques, such as liquid chromatography (LC) and capillary electrophoresis (CE), remain the gold standard to determine the API content in pharmaceutical formulations quantitatively. However, they provide only limited information about other components of the sample, such as excipients and additives. Furthermore, as a sample preparation is required before analysis, their use implies the sacrifice of at least one sample, that is undesirable for expensive samples, or when a limited number of tablets is available. Therefore, near infrared spectroscopy (NIR) can offer relevant advantages allowing fast direct analysis of the samples without prior preparation [5]. The goal of this project is the evaluation of NIR spectroscopy as a screening tool to confirm the identity of tablets coming from different selected manufacturers. 2 Material and methods Drug samples were obtained from the Medical Direction Geneva University Hospitals. Handheld NIR-S-G1 (Tellspec, Canada) was used to perform NIR analyses. The wavelength range was from 900 to 1700 nm (11111 – 5882 cm-1). Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six patented anti-HIV drugs and their respective generic formulations have been selected for this study and analysed by NIR spectroscopy: Truvada® (emtricitabine, enofovir disoproxil), Descovy® (emtricitabine, tenofovir alafenamide), Atripla® (emtricitabine, tenofovir disoproxil, efevirenz), Isentress® (raltegravir), Tivicay® (dolutegravir), Triumeq® (dolutregavir, abacavir, lamivudine). Some of them present one or more API(s) in common. When building the data set, inter- and intra- batch variabilities were taken into consideration by selecting different batches. Ten tablets were selected from each batch and one spectrum was acquired on each sample. Before Modeling, various types of preprocessing were tested in order to better exploit the spectral information. Patented drugs often showed relevant spectral differences from their generic formulations. Since NIR spectroscopy allows obtaining information about both chemical and physical properties of samples, small differences in the formulations permitted to easily differentiate between the two. Data-driven soft independent Modelling of class analogy (DD-SIMCA) Models were chosen as one-class classification technique and a Model was built for each patented and generic drug. Based on a calibration set, this Chemometric tool allows the evaluation of a critical distance, which has been used to define the acceptance area limits for future identifications (α = 0.05). In fact, all the spectra falling within this area can be associated to the Modelled class and then to a specific pharmaceutical drug. 4 Conclusion NIR spectroscopy shows great potential as screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons. In fact, a proper Chemometric Model could be used to assess the identity and then the conformity of drugs before performing further tests, if required. 5 References [1] Global HIV & AIDS statistics – 2019 fact sheet. [cited 2019 Nov 27]. Available from: https://www.unaids.org/en/resources/fact-sheet [2] WHO, UNAIDS, UNDP. Using TRIPS flexibilities to improve access to HIV treatment, 2011. [cited 2019 Nov 27] Available from: http://files.unaids.org/en/media/unaids/contentassets/documents/unaidspublication/2011/JC2049_PolicyBrief_TRIPS_en.pdf [3] WTO Ministerial conferences – Doha 4th Ministerial – TRIPS declaration. [cited 2019 Nov 2019] Available from: https://www.wto.org/english/thewto_e/minist_e/min01_e/min01_e.htm [4] Vernaz, N., Calmy, A., Hurst, S., Jackson, Y., Negro, F., Perrier, A., Wolf, H. A buyers’ club to improve access to hepatitis C treatment for vulnerable populations. Swiss Med Wkly. 2018 [5] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019.Peer reviewe

Christos S. Pappas - One of the best experts on this subject based on the ideXlab platform.

  • Botanical origin discrimination of Greek honeys: physicochemical parameters versus Raman spectroscopy.
    Journal of the science of food and agriculture, 2020
    Co-Authors: Marinos Xagoraris, Petros A. Tarantilis, Elisavet Lazarou, Eleftheria H Kaparakou, Eleftherios Alissandrakis, Christos S. Pappas
    Abstract:

    BACKGROUND The authenticity of honey is of high importance since it affects its commercial value. The discrimination of the origin of honey is of prime importance to reinforce consumer trust. In this study, four Chemometric Models were developed based on the physicochemical parameters according to European and Greek legislation and one using Raman spectroscopy to discriminate Greek honey samples from three commercial monofloral botanical sources. RESULTS The results of physicochemical (glucose, fructose, electrical activity) parameters Chemometric Models showed that the percentage of correct recognition fluctuated from 92.2% to 93.8% with cross-validation 90.6-92.2%, and the placement of test set was 79.0-84.3% successful. The addition of maltose content in the previous discrimination Models did not significantly improve the discrimination. The corresponding percentages of the Raman Chemometric Model were 95.3%, 90.6%, and 84.3%. CONCLUSION The five Chemometric Models developed presented similar and very satisfactory results. Given that the recording of Raman spectra is simple, fast, a minimal amount of sample is needed for the analysis, no solvent (environmentally friendly) is used, and no specialized personnel are required, we conclude that the Chemometric Model based on Raman spectroscopy is an efficient tool to discriminate the botanical origin of fir, pine, and thyme honey varieties. © 2020 Society of Chemical Industry.

  • Rapid screening on aflatoxins’ presence in Pistachia vera nuts using diffuse reflectance infrared Fourier transform spectroscopy and Chemometrics
    Journal of Food Science and Technology, 2020
    Co-Authors: Lydia Valasi, Maria Georgiadou, Petros A. Tarantilis, Stavros Yanniotis, Christos S. Pappas
    Abstract:

    Aflatoxin contamination in pistachios has been analyzed in this work, using Diffuse Reflectance Infrared Spectroscopy (DRIFTS) with Chemometrics. Forty-nine Greek pistachio samples of different aflatoxin concentrations were classified into aflatoxin and non-aflatoxin groups using the 3035–2821, 1770–1721, 1570–1481 and 1260–1061 cm^−1 spectral regions in Kubelka–Munk conversion and first derivative form. A Chemometric Model was developed using twenty-eight samples as calibration, 11 as validation and 10 as test set. The discrimination analysis separated correctly the 100% of the calibration and the validation set and the 80% of the test set. The proposed Chemometric Model is simple, rapid, economical and environmentally friendly since it does not require chemical pre-treatment of the samples. It is expected that the present method may be proved useful in food industry and the inspection authorities as a rapid decision-making tool to detect batches that must be rejected and enhance consumers’ protection from aflatoxin contaminated pistachios.

  • FTIR assessment of compositional changes in lignocellulosic wastes during cultivation of Cyclocybe cylindracea mushrooms and use of Chemometric Models to predict production performance
    Journal of Material Cycles and Waste Management, 2020
    Co-Authors: Georgios Bekiaris, Petros A. Tarantilis, Christos S. Pappas, Georgios Koutrotsios, Georgios I. Zervakis
    Abstract:

    Solid-state fermentation of various lignocellulosic residues through the use of mushroom fungi leads to the production of edible/medicinal biomass. However, several aspects of this process remain obscure, while the potential exploitation of a wide range of agro-industrial wastes as mushroom substrates is of questionable usefulness. This study attempts to develop a fast and inexpensive method based on Fourier transform infrared (FTIR) spectroscopy for (a) determining compositional changes in lignocellulosic wastes used for the cultivation of Cyclocybe cylindracea mushrooms, (b) identifying compounds in substrates which are related to enhanced productivity and (c) developing a Chemometric Model through the use of multivariate analysis to predict biological efficiency in mushroom production process. High prediction scores were obtained (R2CAL: 0.95, R2CV: 0.70, RMSECV: 24%), while interpretation of regression coefficients was congruent to results of principal component analysis demonstrating a positive correlation of C. cylindracea biological efficiency values to the initial materials content in lignocellulosic compounds, and a negative correlation to their protein and phenolics content. The combined use of FTIR data and Chemometrics provides valuable information on structural modifications of major substrate components during C. cylindracea growth and fructification, and could be exploited for evaluating substrates’ suitability prior to their use for mushroom cultivation.

Deidda Riccardo - One of the best experts on this subject based on the ideXlab platform.

  • Handheld Near Infrared spectroscopy for cannabis analysis: from the analytical problem to the Chemometric solution
    2020
    Co-Authors: Deidda Riccardo, Damergi Dhouha, Coppey Florentin, De Bleye Charlotte, Coic Laureen, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, Esseiva Pierre, Veuthey Jean-luc
    Abstract:

    peer reviewedaudience: researcher, professional, student, popularization1 Introduction Cannabis sativa L. has one of the most controversial histories in our society. After many decades of prohibition, due to the presence in its inflorescences of the psychotropic Δ9-tetrahydrocannabinol (THC), nowadays its possible therapeutic role is getting attention from the scientific community. It follows that many countries are legalizing cannabis products containing THC for recreational and medical use. In parallel, another cannabinoid, naturally synthetized by the plant, is currently under the spotlight: cannabidiol (CBD). According to the legislation of most countries in Europe, cannabis with a THC content higher than 0.2-1% (depending on the country) is classified as illicit drug. On the other hand, CBD has not a psychotropic effect and cannabis with various contents of CBD can be easily found in dedicated shops. This type of cannabis is named “CBD like” to be distinguished from the illicit one, “THC like”. It is clear that the coming of these products in the legal market poses challenges to the police force to distinguish between licit and illicit cannabis when frisking a suspect. The need for a proper analytical tool to be quickly and easily applied by the police is a direct consequence of this problematic. Handheld near infrared (NIR) spectrophotometers implemented with a suited Chemometric Model look to be the best analytical solution. In fact, this user-friendly technique allows acquiring both qualitative and quantitative information about the sample directly on the field of interest [1, 2]. In this context, the development of a quantitative analytical method based on NIR spectroscopy to determine the THC content in cannabis sample was the object of this study. 2 Material and methods Cannabis samples containing different amounts of THC were provided by the School of Criminal Justice of the University of Lausanne. Cannabis inflorescences were analysed in three different physical forms (entire, crushed, and sifted inflorescences). Two different handheld spectrophotometers, the low cost NIR-S-G1 (Tellspec, Canada) and the high cost MicroNIR spectrophotometers (Viavi Solutions, California), were used to perform NIR analyses with the aim to compare the performance of both equipment. The data were acquired in the 950 – 1650 nm (10526 – 6060 cm-1) wavelength range and five spectra were acquired for each sample. Acquity UPLC system coupled to UV detector (Waters, Massachusetts) was used as a reference technique to quantify THC in the samples in order to calibrate and validate the Model. Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six different Partial Least of Squares (PLS) Models were built by using the spectra collected with the two selected NIR instruments. Since the homogeneity of the samples can impact the sampling representativeness and consequentially the predictive performance of a Model, the spectra were acquired on cannabis inflorescences in three physical forms (entire, crushed, and sifted) in order to study this aspect. In fact, cannabinoids are not uniformly present on inflorescences: they are more concentrated in the external parts of the inflorescences and less in the internal branches. This fact can easily lead to misestimate the real percentage of THC and be an important source of error if not taken into consideration. For each cannabis form, a specific Model was built with the aim to determine the THC content in the samples and easily individuate “THC like” cannabis. Ideally, the privileged cannabis form on which to build the Model is represented by the entire inflorescences. Indeed, this is the most common form of cannabis sequestered by police in the street and does not require any sample preparation. The calibration set consisted in different samples covering a relatively wide concentration range from 0.92 to 22.21 % of THC. An external validation set was built to evaluate the predictive performance of each Model. The Chemometric Models were then compared to choose the best suited instrument and Model based on the method purpose. 4 Conclusion The application of NIR spectroscopy to cannabis samples analysis showed to be suitable from an analytical point of view. The PLS Models allowed to predict the THC content in samples of cannabis inflorescences with an established precision. Moreover, handheld NIR spectrophotometers, allowing to perform analyses directly on the field of interest, make this method useful for out-lab analyses, such as for police controls. 5 References [1] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019. [2] Sánchez-Carnerero Callado, C., Nuñez-Sánchez, N., Casano, S., Ferreiro-Vera, C. The potential of near infrared spectroscopy to estimate the content of cannabinoids in Cannabis sativa L.: A comparative study. Talanta 191, 147 – 157, 2018

  • Handheld Near Infrared spectroscopy for cannabis analysis: from the analytical problem to the Chemometric solution
    2020
    Co-Authors: Deidda Riccardo, Damergi Dhouha, Coppey Florentin, De Bleye Charlotte, Coic Laureen, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, Esseiva Pierre, Veuthey Jean-luc
    Abstract:

    1 Introduction Cannabis sativa L. has one of the most controversial histories in our society. After many decades of prohibition, due to the presence in its inflorescences of the psychotropic Δ9-tetrahydrocannabinol (THC), nowadays its possible therapeutic role is getting attention from the scientific community. It follows that many countries are legalizing cannabis products containing THC for recreational and medical use. In parallel, another cannabinoid, naturally synthetized by the plant, is currently under the spotlight: cannabidiol (CBD). According to the legislation of most countries in Europe, cannabis with a THC content higher than 0.2-1% (depending on the country) is classified as illicit drug. On the other hand, CBD has not a psychotropic effect and cannabis with various contents of CBD can be easily found in dedicated shops. This type of cannabis is named “CBD like” to be distinguished from the illicit one, “THC like”. It is clear that the coming of these products in the legal market poses challenges to the police force to distinguish between licit and illicit cannabis when frisking a suspect. The need for a proper analytical tool to be quickly and easily applied by the police is a direct consequence of this problematic. Handheld near infrared (NIR) spectrophotometers implemented with a suited Chemometric Model look to be the best analytical solution. In fact, this user-friendly technique allows acquiring both qualitative and quantitative information about the sample directly on the field of interest [1, 2]. In this context, the development of a quantitative analytical method based on NIR spectroscopy to determine the THC content in cannabis sample was the object of this study. 2 Material and methods Cannabis samples containing different amounts of THC were provided by the School of Criminal Justice of the University of Lausanne. Cannabis inflorescences were analysed in three different physical forms (entire, crushed, and sifted inflorescences). Two different handheld spectrophotometers, the low cost NIR-S-G1 (Tellspec, Canada) and the high cost MicroNIR spectrophotometers (Viavi Solutions, California), were used to perform NIR analyses with the aim to compare the performance of both equipment. The data were acquired in the 950 – 1650 nm (10526 – 6060 cm-1) wavelength range and five spectra were acquired for each sample. Acquity UPLC system coupled to UV detector (Waters, Massachusetts) was used as a reference technique to quantify THC in the samples in order to calibrate and validate the Model. Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six different Partial Least of Squares (PLS) Models were built by using the spectra collected with the two selected NIR instruments. Since the homogeneity of the samples can impact the sampling representativeness and consequentially the predictive performance of a Model, the spectra were acquired on cannabis inflorescences in three physical forms (entire, crushed, and sifted) in order to study this aspect. In fact, cannabinoids are not uniformly present on inflorescences: they are more concentrated in the external parts of the inflorescences and less in the internal branches. This fact can easily lead to misestimate the real percentage of THC and be an important source of error if not taken into consideration. For each cannabis form, a specific Model was built with the aim to determine the THC content in the samples and easily individuate “THC like” cannabis. Ideally, the privileged cannabis form on which to build the Model is represented by the entire inflorescences. Indeed, this is the most common form of cannabis sequestered by police in the street and does not require any sample preparation. The calibration set consisted in different samples covering a relatively wide concentration range from 0.92 to 22.21 % of THC. An external validation set was built to evaluate the predictive performance of each Model. The Chemometric Models were then compared to choose the best suited instrument and Model based on the method purpose. 4 Conclusion The application of NIR spectroscopy to cannabis samples analysis showed to be suitable from an analytical point of view. The PLS Models allowed to predict the THC content in samples of cannabis inflorescences with an established precision. Moreover, handheld NIR spectrophotometers, allowing to perform analyses directly on the field of interest, make this method useful for out-lab analyses, such as for police controls. 5 References [1] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019. [2] Sánchez-Carnerero Callado, C., Nuñez-Sánchez, N., Casano, S., Ferreiro-Vera, C. The potential of near infrared spectroscopy to estimate the content of cannabinoids in Cannabis sativa L.: A comparative study. Talanta 191, 147 – 157, 2018.Peer reviewe

  • Near infrared spectroscopy as a screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons
    2020
    Co-Authors: Deidda Riccardo, De Bleye Charlotte, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, El Morabit Lamyae, Boccard Julien, Vernaz Nathalie, Tobolkina Elena, Veuthey Jean-luc
    Abstract:

    peer reviewedaudience: researcher, professional1 Introduction Human immunodeficiency virus (HIV) infection remains one of the major public health challenges over the world. In 2018, according to the Joint United Nations Program on HIV/AIDS, nearly 37.9 million people are living with HIV [1]. Antiretroviral therapy has shown a great effectiveness in reducing mortality and morbidity related to AIDS and has thus allowed AIDS to evolve from a deadly disease to a chronic one [2]. However, most of the antiretroviral drugs are still under patent protection, and therefore their price is a major barrier to their access in low- and middle-income countries. In this context, the “Doha Declaration” was adopted in 2001 allowing these countries to produce certain patented drugs, by giving them contractual licenses. These “unapproved generic drugs” present the same active principal ingredients (APIs), galenic form and dosage, but can differ in used excipients or additives [3]. In Switzerland, people living in prison (PLP) are often not covered by compulsory insurance and their access to treatment is therefore limited. In this context, Swiss Buyer’s clubs have been created with the aim of importing “unapproved generic drugs” via recognized suppliers based in low- and middle-income countries. Consequently, quality control tests have to be performed in order to guarantee the quality and safety of these pharmaceutical products [2, 3, 4]. Separation techniques, such as liquid chromatography (LC) and capillary electrophoresis (CE), remain the gold standard to determine the API content in pharmaceutical formulations quantitatively. However, they provide only limited information about other components of the sample, such as excipients and additives. Furthermore, as a sample preparation is required before analysis, their use implies the sacrifice of at least one sample, that is undesirable for expensive samples, or when a limited number of tablets is available. Therefore, near infrared spectroscopy (NIR) can offer relevant advantages allowing fast direct analysis of the samples without prior preparation [5]. The goal of this project is the evaluation of NIR spectroscopy as a screening tool to confirm the identity of tablets coming from different selected manufacturers. 2 Material and methods Drug samples were obtained from the Medical Direction Geneva University Hospitals. Handheld NIR-S-G1 (Tellspec, Canada) was used to perform NIR analyses. The wavelength range was from 900 to 1700 nm (11111 – 5882 cm-1). Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six patented anti-HIV drugs and their respective generic formulations have been selected for this study and analysed by NIR spectroscopy: Truvada® (emtricitabine, enofovir disoproxil), Descovy® (emtricitabine, tenofovir alafenamide), Atripla® (emtricitabine, tenofovir disoproxil, efevirenz), Isentress® (raltegravir), Tivicay® (dolutegravir), Triumeq® (dolutregavir, abacavir, lamivudine). Some of them present one or more API(s) in common. When building the data set, inter- and intra- batch variabilities were taken into consideration by selecting different batches. Ten tablets were selected from each batch and one spectrum was acquired on each sample. Before Modeling, various types of preprocessing were tested in order to better exploit the spectral information. Patented drugs often showed relevant spectral differences from their generic formulations. Since NIR spectroscopy allows obtaining information about both chemical and physical properties of samples, small differences in the formulations permitted to easily differentiate between the two. Data-driven soft independent Modelling of class analogy (DD-SIMCA) Models were chosen as one-class classification technique and a Model was built for each patented and generic drug. Based on a calibration set, this Chemometric tool allows the evaluation of a critical distance, which has been used to define the acceptance area limits for future identifications (α = 0.05). In fact, all the spectra falling within this area can be associated to the Modelled class and then to a specific pharmaceutical drug. 4 Conclusion NIR spectroscopy shows great potential as screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons. In fact, a proper Chemometric Model could be used to assess the identity and then the conformity of drugs before performing further tests, if required. 5 References [1] Global HIV & AIDS statistics – 2019 fact sheet. [cited 2019 Nov 27]. Available from: https://www.unaids.org/en/resources/fact-sheet [2] WHO, UNAIDS, UNDP. Using TRIPS flexibilities to improve access to HIV treatment, 2011. [cited 2019 Nov 27] Available from: http://files.unaids.org/en/media/unaids/contentassets/documents/unaidspublication/2011/JC2049_PolicyBrief_TRIPS_en.pdf [3] WTO Ministerial conferences – Doha 4th Ministerial – TRIPS declaration. [cited 2019 Nov 2019] Available from: https://www.wto.org/english/thewto_e/minist_e/min01_e/min01_e.htm [4] Vernaz, N., Calmy, A., Hurst, S., Jackson, Y., Negro, F., Perrier, A., Wolf, H. A buyers’ club to improve access to hepatitis C treatment for vulnerable populations. Swiss Med Wkly. 2018 [5] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019

  • Near infrared spectroscopy as a screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons
    2020
    Co-Authors: Deidda Riccardo, De Bleye Charlotte, Sacre Pierre-yves, Hubert Philippe, Ziemons Eric, El Morabit Lamyae, Boccard Julien, Vernaz Nathalie, Tobolkina Elena, Veuthey Jean-luc
    Abstract:

    1 Introduction Human immunodeficiency virus (HIV) infection remains one of the major public health challenges over the world. In 2018, according to the Joint United Nations Program on HIV/AIDS, nearly 37.9 million people are living with HIV [1]. Antiretroviral therapy has shown a great effectiveness in reducing mortality and morbidity related to AIDS and has thus allowed AIDS to evolve from a deadly disease to a chronic one [2]. However, most of the antiretroviral drugs are still under patent protection, and therefore their price is a major barrier to their access in low- and middle-income countries. In this context, the “Doha Declaration” was adopted in 2001 allowing these countries to produce certain patented drugs, by giving them contractual licenses. These “unapproved generic drugs” present the same active principal ingredients (APIs), galenic form and dosage, but can differ in used excipients or additives [3]. In Switzerland, people living in prison (PLP) are often not covered by compulsory insurance and their access to treatment is therefore limited. In this context, Swiss Buyer’s clubs have been created with the aim of importing “unapproved generic drugs” via recognized suppliers based in low- and middle-income countries. Consequently, quality control tests have to be performed in order to guarantee the quality and safety of these pharmaceutical products [2, 3, 4]. Separation techniques, such as liquid chromatography (LC) and capillary electrophoresis (CE), remain the gold standard to determine the API content in pharmaceutical formulations quantitatively. However, they provide only limited information about other components of the sample, such as excipients and additives. Furthermore, as a sample preparation is required before analysis, their use implies the sacrifice of at least one sample, that is undesirable for expensive samples, or when a limited number of tablets is available. Therefore, near infrared spectroscopy (NIR) can offer relevant advantages allowing fast direct analysis of the samples without prior preparation [5]. The goal of this project is the evaluation of NIR spectroscopy as a screening tool to confirm the identity of tablets coming from different selected manufacturers. 2 Material and methods Drug samples were obtained from the Medical Direction Geneva University Hospitals. Handheld NIR-S-G1 (Tellspec, Canada) was used to perform NIR analyses. The wavelength range was from 900 to 1700 nm (11111 – 5882 cm-1). Matlab R2018a software (The MathWorks, Massachusetts) and PLS toolbox® (version 8.6.2, Eigenvector Research, Washington) were used for data treatment and computation. 3 Results and discussion Six patented anti-HIV drugs and their respective generic formulations have been selected for this study and analysed by NIR spectroscopy: Truvada® (emtricitabine, enofovir disoproxil), Descovy® (emtricitabine, tenofovir alafenamide), Atripla® (emtricitabine, tenofovir disoproxil, efevirenz), Isentress® (raltegravir), Tivicay® (dolutegravir), Triumeq® (dolutregavir, abacavir, lamivudine). Some of them present one or more API(s) in common. When building the data set, inter- and intra- batch variabilities were taken into consideration by selecting different batches. Ten tablets were selected from each batch and one spectrum was acquired on each sample. Before Modeling, various types of preprocessing were tested in order to better exploit the spectral information. Patented drugs often showed relevant spectral differences from their generic formulations. Since NIR spectroscopy allows obtaining information about both chemical and physical properties of samples, small differences in the formulations permitted to easily differentiate between the two. Data-driven soft independent Modelling of class analogy (DD-SIMCA) Models were chosen as one-class classification technique and a Model was built for each patented and generic drug. Based on a calibration set, this Chemometric tool allows the evaluation of a critical distance, which has been used to define the acceptance area limits for future identifications (α = 0.05). In fact, all the spectra falling within this area can be associated to the Modelled class and then to a specific pharmaceutical drug. 4 Conclusion NIR spectroscopy shows great potential as screening technique for the quality control of antiretroviral drugs for HIV treatment in Swiss prisons. In fact, a proper Chemometric Model could be used to assess the identity and then the conformity of drugs before performing further tests, if required. 5 References [1] Global HIV & AIDS statistics – 2019 fact sheet. [cited 2019 Nov 27]. Available from: https://www.unaids.org/en/resources/fact-sheet [2] WHO, UNAIDS, UNDP. Using TRIPS flexibilities to improve access to HIV treatment, 2011. [cited 2019 Nov 27] Available from: http://files.unaids.org/en/media/unaids/contentassets/documents/unaidspublication/2011/JC2049_PolicyBrief_TRIPS_en.pdf [3] WTO Ministerial conferences – Doha 4th Ministerial – TRIPS declaration. [cited 2019 Nov 2019] Available from: https://www.wto.org/english/thewto_e/minist_e/min01_e/min01_e.htm [4] Vernaz, N., Calmy, A., Hurst, S., Jackson, Y., Negro, F., Perrier, A., Wolf, H. A buyers’ club to improve access to hepatitis C treatment for vulnerable populations. Swiss Med Wkly. 2018 [5] Deidda, R., Sacré, P.-Y., Clavaud, M., Coïc, L., Avohou, H., Hubert, Ph., Ziemons, E. Vibrational spectroscopy in analysis of pharmaceuticals: Critical review of innovative portable and handheld NIR and Raman spectrophotometers. Trends Anal. Chem. 114, 251 – 259, 2019.Peer reviewe

Xiu-fang Yan - One of the best experts on this subject based on the ideXlab platform.

  • generalized ratiometric fluorescence nanosensors based on carbon dots and an advanced Chemometric Model
    Talanta, 2019
    Co-Authors: Zeng-ping Chen, Xiu-fang Yan, Ying Huang, Chao Kang
    Abstract:

    Abstract Probe encapsulated by biologically localized embedding (PEBBLE) has emerged as a new type of sensing technique for complex systems. Generalized ratiometric PEBBLE nanosensors prepared by encapsulating an intensity-based probe and an inert reference dye inside the pores of stable matrix possess advantages of easy synthesis, immunity to interference, lower toxicity, and robustness to variations in probe loading. However, the selection of appropriate reference dyes used in generalized ratiometric PEBBLE nanosensors is a rather difficult task since they should satisfy some stringent requirements. In this contribution, the feasibility of using carbon dots (C-dots) as generic inert references in synthesizing PEBBLE nanosensors was first investigated in detail. And a dual-wavelength monitoring strategy and the quantitative fluorescence Model for generalized ratiometric probes (QFMGRP) were adopted to solve the problems brought by the use of carbon dots as inert references. C-dots doped PEBBLE nanosensors (C-PEBBLE nanosensors) for the quantification of NO 2 − and free Ca2+ were synthesized by encapsulating C-dots and intensity based fluorescence probes (i.e., acriflavine for NO 2 − , and Rhod-2 for Ca2+, respectively) inside the pores of stable matrix. Experimental results showed that the combination of C-PEBBLEs, the QFMGRP Model and the dual-wavelength monitoring strategy achieved accurate quantification of NO 2 − and the free Ca2+ in real-world samples. Their quantitative results were in good consistence with those determined by HPLC and atomic absorption spectrophotometer, respectively. The strategies proposed in this contribution have generic applicability in the synthesis of PEBBLE nanosensors and their quantitative applications.

  • Direct DNA quantification in cell lysates by fluorometric method in combination with an advanced Chemometric Model
    Chemometrics and Intelligent Laboratory Systems, 2016
    Co-Authors: Jing-jing Kong, Zeng-ping Chen, Yao Chen, Xiu-fang Yan
    Abstract:

    Abstract Accurate quantification of genomic DNA is fundamental to many molecular analyses such as diagnostic assays and genotyping. Due to relatively low and varying extraction rates of DNA from cell lysates by genomic DNA extraction kits, it is desired to quantitatively determine DNA contents directly in cell lysates. However, the coexistence of scatterers (e.g., cell debris), absorbers, and intrinsic fluorophores in cell lysates prevents either UV–Vis spectrophotometric methods or fluorometric methods based on fluorescent dyes and ratiometric Models to be directly applied to cell lysates. In this contribution, a novel fluorometric method based on an advanced Chemometric Model which can effectively eliminate the effects of scatterers and absorbers on fluorescence spectra of cell lysates was proposed for the direct quantification of DNA in lysates of CEM cells. Without cumbersome prior DNA extraction, the proposed method achieved quite stable and accurate DNA quantification with recovery rates in the range of 89%–115%, considerably better than that of either the fluorometric method based on the ratiometric Model or the UV–Vis spectrophotometric method coupled with DNA extraction. The proposed method has the advantages of rapidness, simplicity, and high precision, and can be developed into a promising alternative for accurate quantification of genomic DNA.