Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study

This is the final version. Available on open access from the American Chemical Society via the DOI in this recordThe variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups or by a primary-replica strategy where models are developed on a 'primary' setup and the test data are generated on 'replicate' setups, this is only possible if the Raman spectra from different setups are consistent, reproducible, and comparable. However, Raman spectra can be highly sensitive to the measurement conditions, and they change from setup to setup even if the same samples are measured. Although increasingly recognized as an issue, the dependence of the Raman spectra on the instrumental configuration is far from being fully understood and great effort is needed to address the resulting spectral variations and to correct for them. To make the severity of the situation clear, we present a round robin experiment investigating the comparability of 35 Raman spectroscopic devices with different configurations in 15 institutes within seven European countries from the COST (European Cooperation in Science and Technology) action Raman4clinics. The experiment was developed in a fashion that allows various instrumental configurations ranging from highly confocal setups to fibre-optic based systems with different excitation wavelengths. We illustrate the spectral variations caused by the instrumental configurations from the perspectives of peak shifts, intensity variations, peak widths, and noise levels. We conclude this contribution with recommendations that may help to improve the inter-laboratory studies.COST (European Cooperation in Science and Technology)Portuguese Foundation for Science and TechnologyNational Research Fund of Luxembourg (FNR)China Scholarship Council (CSC)BOKU Core Facilities Multiscale ImagingDeutsche Forschungsgemeinschaft (DFG, German Research Foundation

EPMA-World Congress 2015: Bonn, Germany. 3-5 September 2015

Table of contents A1 Predictive and prognostic biomarker panel for targeted application of radioembolisation improving individual outcomes in hepatocellular carcinoma Jella-Andrea Abraham, Olga Golubnitschaja A2 Integrated market access approach amplifying value of “Rx-CDx” Ildar Akhmetov A3 Disaster response: an opportunity to improve global healthcare Russell J. Andrews, Leonidas Quintana A4 USA PPPM: proscriptive, profligate, profiteering medicine-good for 1 % wealthy, not for 99 % unhealthy Russell J. Andrews A5 The role of IDO in a murine model of gingivitis: predictive and therapeutic potentials Babak Baban, Jun Yao Liu, Xu Qin, Tailing Wang, Mahmood S. Mozaffari A6 Specific diets for personalised treatment of diabetes type 2 Viktoriia V. Bati, Tamara V. Meleshko, Olga B. Levchuk, Nadiya V. Boyko A7 Towards personalized physiotherapeutic approach Joanna Bauer, Ewa Boerner, Halina Podbielska A8 Cells, animal, SHIME and in silico models for detection and verification of specific biomarkers of non-communicable chronic diseases Alojz Bomba, Viktor O. Petrov, Volodymyr G. Drobnych, Rostyslav V. Bubnov, Oksana M. Bykova, Nadiya V. Boyko A9 INTERACT-chronic care model: Self-treatment by patients with decision support e-Health solution Hans-Peter Brunner-La Rocca, Lutz Fleischhacker, Olga Golubnitschaja, Frank Heemskerk, Thomas Helms, Tiny Jaarsma, Judita Kinkorova, Jan Ramaekers, Peter Ruff, Ivana Schnur, Emilio Vanoli, Jose Verdu A10 PPPM in cardiovascular medicine in 2015 Hans-Peter Brunner-La Rocca A11 Magnetic resonance imaging of nanoparticles in mice, potential for theranostic and contrast media development – pilot results Rostyslav V. Bubnov, Sergiy A. Grabovetskyi, Olena M. Mykhalchenko, Natalia O. Tymoshok, Oleksandr B. Shcherbakov, Igor P. Semeniv, Mykola Y. Spivak A12 Ultrasound diagnosis for diabetic neuropathy - comparative study Rostyslav V. Bubnov, Tetyana V. Ostapenko A13 Ultrasound for stratification patients with diabetic foot ulcers for prevention and personalized treatment - pilot results Rostyslav V. Bubnov, Nazarii M. Kobyliak, Nadiya M. Zholobak, Mykola Ya. Spivak A14 Project ImaGenX – designing and executing a questionnaire on environment and lifestyle risk of breast cancer John Paul Cauchi A15 Genomics – a new structural brand of predictive, preventive and personalized medicine or the new driver as well? Dmitrii Cherepakhin, Marina Bakay, Artem Borovikov, Sergey Suchkov A16 Survey of questionnaires for evaluation of the quality of life in various medical fields Barbara Cieślik, Agnieszka Migasiewicz, Maria-Luiza Podbielska, Markus Pelleter, Agnieszka Giemza, Halina Podbielska A17 Personalized molecular treatment for muscular dystrophies Sebahattin Cirak A18 Secondary mutations in circulating tumour DNA for acquired drug resistance in patients with advanced ALK + NSCLC Marzia Del Re, Paola Bordi, Valentina Citi, Marta Palombi, Carmine Pinto, Marcello Tiseo, Romano Danesi A19 Recombinant species-specific FcεRI alpha proteins for diagnosis of IgE-mediated allergies in dogs, cats and horses Lukas Einhorn, Judit Fazekas, Martina Muhr, Alexandra Schoos, Lucia Panakova, Ina Herrmann, Krisztina Manzano-Szalai, Kumiko Oida, Edda Fiebiger, Josef Singer, Erika Jensen-Jarolim A20 Global methodology for developmental neurotoxicity testing in humans and animals early and chronically exposed to chemical contaminants Arpiné A. 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Ivanova, Michail V. Eremin, Maria V. Rostovtseva A23 Сentral aortic pressure and indexes of augmentation in young persons in view of risk factors Maria E. Evsevyeva, Michail V. Eremin, Vladimir I. Koshel, Oksana V. Sergeeva, Nadesgda M. Konovalova A24 Breast cancer prediction and prevention: Are reliable biomarkers in horizon? Shantanu Girotra, Olga Golubnitschaja A25 Flammer Syndrome and potential formation of pre-metastatic niches: A multi-centred study on phenotyping, patient stratification, prediction and potential prevention of aggressive breast cancer and metastatic disease Olga Golubnitschaja, Manuel Debald, Walther Kuhn, Kristina Yeghiazaryan, Rostyslav V. Bubnov, Vadym M. 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Alevinage, pollution et cloisonnement de l'espace fluvial dans les structures génétiques des populations de poisson : l'ombre commun, Thymallus thymallus, dans le Rhône au niveau de la Savoie

L'analyse de la variabilité allozymique des populations d'ombre commun du Rhône savoyard et de ses affluents fait apparaître de fortes différences entre sites malgré leur proximité. La variabilité observée à l'intérieur des populations semble résulter de l'introduction de gènes étrangers par alevinage depuis de nombreuses années. Les différences entre populations résulteraient par contre d'une modulation de l'impact génétique de ces alevinages par les conditions environnementales. L'altération du milieu physique, son cloisonnement par les barrages, et une pollution ponctuelle majeure apparaissent les éléments déterminants de ces structures génétiques qui seraient ainsi entièrement le fait de l'homme

Mécanismes et étendue de la dispersion des crevettes d’eau douce (crustacea, decapoda) à l’échelle de la Guadeloupe : données de la génétique

Eppe R., Fièvet E. Mécanismes et étendue de la dispersion des crevettes d’eau douce (crustacea, decapoda) à l’échelle de la Guadeloupe : données de la génétique . In: Revue d'Écologie (La Terre et La Vie), tome 59, n°1-2, 2004. p. 359

Alevinage, pollution et cloisonnement de l'espace fluvial dans les structures génétiques des populations de poisson : l'ombre commun, Thymallus thymallus, dans le Rhône au niveau de la Savoie

L'analyse de la variabilité allozymique des populations d'ombre commun du Rhône savoyard et de ses affluents fait apparaître de fortes différences entre sites malgré leur proximité. La variabilité observée à l'intérieur des populations semble résulter de l'introduction de gènes étrangers par alevinage depuis de nombreuses années. Les différences entre populations résulteraient par contre d'une modulation de l'impact génétique de ces alevinages par les conditions environnementales. L'altération du milieu physique, son cloisonnement par les barrages, et une pollution ponctuelle majeure apparaissent les éléments déterminants de ces structures génétiques qui seraient ainsi entièrement le fait de l'homme

Kinetic study of volatile oil of Curcuma longa L. rhizome and Carum carvi L. fruits extracted by microwave-assisted techniques using the cryogrinding

peer reviewedHydrodistillation assisted by microwave (HDAM) and steam distillation assisted by microwave (SDAM) of Curcuma longa L. rhizome (CL) and Carum carvi fruits (CC) were investigated. The effect of the cryogrinding (CG) showed differences in yields and composition of volatile oils compared with classical grinding. HDAM–CG (CL: 1.20%, CC: 1.25%) and SDAM–CG (CL: 1.45%, CC: 1.75%) allowed extraction of substantial amounts of volatile oils in less time compared with HDAM (CL: 0.6%, CC: 1.00%) and SDAM (CL: 0.90%, CC: 1.00%). In addition, the major amounts of volatile oils were globally obtained during the first 5 and 10 minutes of extraction for CL and CC, respectively. A kinetic study of essential oils extraction from CL and CC was quantitatively performed. The composition of the major components and family classes present a significant variation with the extraction time. Essential oils extracted by these two methods were quantitatively (yield) and qualitatively [aromatic profile by gas chromatography (GC) and GC–mass spectrometry (GC–MS)] analyzed. There were differences, especially in the major compounds ar-turmerone (HDAM: 46.00–57.96%, HDAM–CG: 30.85–60.32%) and β-turmerone (HDAM: 14.43–16.74%, HDAM–CG: 10.46–15.77%) for CL, and limonene (HDAM: 23.61–56.97%, HDAM–CG: 38.04–43.00%) and carvone (HDAM: 36.19–64.54%, CC–CG: 53.65–56.31%) for CC

Effect of the Extraction Technique, Heating Time and Cryogenic Grinding (N2 at -196°C) on the Composition of Cumin Seeds Volatile Oil

Two techniques of extraction of essential oils (Steam distillation assisted by microwave (SDAM) and hydrodistillation assisted by microwave (HDAM)) are respectively advanced steam distillation (SD) and hydrodistillation techniques (HD), in which a microwave oven is used in the extraction process. They are considered as accelerated techniques extraction performed at atmospheric pressure. The cryogrinding (CG) showed a difference on the yields and aromatic profile comparing to the sample grinding. Isolation and concentration of volatile compounds are performed by a single stage for the extraction of volatile oil from Algerian (Sahara) Cuminum cyminum seeds (CCS). The chemical composition of the essential oil of this plant as a function of extraction time was also studied. The major components and family classes showed a significant variation with the extraction time. Gas chromatography (GC), GCxGC-mass spectrometry (GCxGC-MS)] were utilised for qualitative and quantitative analysis of essential oils extracted by these two methods. The major compounds are cumin aldehyde (HDAM-CG: 20.50-53.35 %, SDAM-CG: 21.68 66.6 %), p-cymene (HDAM-CG: 14.1-37.54 %, SDAM-CG: 6.06-20.18 %), β-pinene (HDAM-CG: 4.53-14.74 %, SDAM-CG: 4.3-32.65 %) and γ-terpinene (HDAM-CG: 1.26-14.70 %, SDAM-CG: 5.13-18.23 %)