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Roman Balabin

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Roman Michailowitsch Balabin (russisch Роман Михайлович Балабин) ist ein russischer analytischer Chemiker. Er erhielt seinen Ph.D. in Erdölchemie von der Gubkin-Universität (Moskau, 2013); seine Forschungsinteressen sind angewandte Spektroskopie (einschließlich Nah-Infrarot-Spektralbereich), Nahrungsmittelanalyse (z. B. Melamin-Nachweis) und physikalische Chemie (einschließlich Konformationen von Aminosäuren); als Teil der Gruppe von Renato Zenobi (ETH Zürich) war er ein Mitautor von Massenspektrometrie-Studien.[1][2][3]

Akademische Tätigkeit[Bearbeiten | Quelltext bearbeiten]

Kraftstoffanalyse[Bearbeiten | Quelltext bearbeiten]

Roman Balabin und seine Mitarbeiter haben eine Reihe von Arbeiten zum Vergleich statistischer Methoden auf der Basis der Nahinfrarotspektroskopie (NIRS), das kann wertvolle funktionelle Gruppeninformationen über die Probe liefern,[4] zur Qualitätsanalyse von Kraftstoffen und Erdölprodukten veröffentlicht.[5][6] In den Jahren 2007—2008 veröffentlichten Roman Balabin, Ravilya Safieva und Ekaterina Lomakina zwei Arbeiten in Chemometrics and Intelligent Laboratory Systems, in denen sie modifizierte Versionen die Methode den Partielle kleinste Quadrate (Partial Least Squares, PLS) mit künstlichen neuronalen Netzen (KNN) zur Vorhersage von Dichte, Benzolgehalt und Ethanolgehalt in Motorenbenzin.[7] In den Jahren 2007—2011 wurde diese Studie durch einen Zyklus von Artikeln in Fuel and Energy & Fuels fortgesetzt, die zeigten, dass der KNN- und SVM-Methoden Ansatz den linearen und „quasi-nichtlinearen“ Kalibrierungsmethoden überlegen war.[8][9] Zwei Artikel von The Analyst verglichen die SVM-Regression mit KNN unter Verwendung von NIRS-Daten aus vierzehn Mineralölprodukten und „benchmarked“ SVM für das Extrapolationsproblem (um die Eigenschaften von Proben außerhalb des für die Modellkalibrierung verwendeten Bereichs vorherzusagen[10]):[11] daraus lässt sich folgern, dass SVM-Modellen eine hohe Präzision und Robustheit [12] in kleinen und verrauschten Datensätzen haben („im Umgang mit reellen, lauten und variablen Spektren“[13]).[14] Zwei weitere Publikationen, die 2011 in Analytica Chimica Acta veröffentlicht wurden, waren Feature Subset Selection (FSS, einschließlich genetischer Algorithmen) und Benchmarking von Biodiesel-Klassifikationsmodellen, die für forensische Identifizierungszwecke verwendet werden können.[15][16]

Melamin-Nachweis[Bearbeiten | Quelltext bearbeiten]

Im Juli 2011 veröffentlichten Roman Balabin und Sergey Smirnov in Talanta einen Aufsatz Nachweis von Melamin mit Infrarotspektroskopie (englisch Melamine detection by mid- and near-infrared (MIR/NIR) spectroscopy), in dem sie die Fourier-Transformations-Infrarotspektroskopie zur Bestimmung von Melamin in komplexen Milchprodukten vorschlugen : einschließlich flüssige Milch, Babynahrung und Milchpulver.[17] Die „systematische Studie“[18] fand heraus, dass unter Anwendung der richtigen Datenvorbehandlung und der korrekten multivariaten Techniken eine Nachweisgrenze (LOD) unter 1 ppm (0,76 ± 0,11 ppm) erreicht werden konnte.[19][20] „Die Anwendung der NIRS und der multivariaten Modellierung hat sich als sehr erfolgreich erwiesen“, was von Professor Xiaonan Lu als „bedeutende Errungenschaft“ betrachtet wurde, da die Zeit für den Melaminnachweis mit Spektroskopie weniger betrug als für fast alle anderen bisherigen Methoden.[21]

Aminosäuren[Bearbeiten | Quelltext bearbeiten]

Ein Zyklus von Arbeiten über die Strukturen der einfachsten Aminosäuren (Glycin und Alanin) wurde von Balabin im September 2009 mit der Veröffentlichung eines theoretischen Artikels Konformationsgleichgewicht in Glycin (englisch Conformational equilibrium in glycine) in Chemical Physics Letters begonnen: ab initio Berechnungen basierend auf „Focal-Point Analysis“ (FPA)-Schema wurden an Glycin (Gly) Konformeren durchgeführt.[22][23] Ein Jahr später wurde im Journal of Physical Chemistry Letters ein experimentelles strahlgekühltes Ramanspektrum von Glycin veröffentlicht: alle Spektralbanden konnten „mit den Schwingungen der drei niedrigsten Energiekonformationen im Vergleich zu den berechneten Frequenzen zusammenpassen.“[24] Gleichgewichts Gasphasen-Raman-Untersuchungen - veröffentlicht im Januar 2012 in Physical Chemistry Chemical Physics - ermöglichten eine Abschätzung der relativen Enthalpien von drei Glycin-Rotameren durch Zerlegung einer breiten, nicht aufgelösten Spektralbande:[25] die thermodynamische Charakterisierung basierte jedoch auf der Van-’t-Hoff-Gleichung, deren absolute Genauigkeit fraglich sein könnte.[26]

Liste der Werke[Bearbeiten | Quelltext bearbeiten]

Ph.D. These[Bearbeiten | Quelltext bearbeiten]

  • Балабин, Роман Михайлович. Entwicklung von Express-Methoden basierend auf Schwingungsspektroskopie zur Analyse von Erdölprodukten und Petrochemikalien = Создание экспресс-методов анализа продуктов нефтепереработки и нефтехимии на основе колебательной спектроскопии : диссертация ... кандидата технических наук : 02.00.13 / Балабин Роман Михайлович; [Место защиты: Рос. гос. ун-т нефти и газа им. И.М. Губкина]. — Москва, 2013. — 116 с.: ил.

Ausgewählte Publikationen[Bearbeiten | Quelltext bearbeiten]

Die Auswahl der Veröffentlichungen von Roman Balabin basiert auf 20 Zitaten vor Oktober 2018:[27]

Liste ausgewählter Publikationen

  • Balabin R. M., Smirnov S. V. Variable selection in near-infrared spectroscopy: Benchmarking of feature selection methods on biodiesel data // Analytica Chimica Acta. — 2011. — Vol. 692, iss. 1-2. — P. 63–72. — ISSN 0003-2670. — DOI:10.1016/j.aca.2011.03.006.
  • Balabin R. M., Safieva R. Z., Lomakina E. I. Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques // Analytica Chimica Acta. — 2010. — Vol. 671, iss. 1-2. — P. 27–35. — ISSN 0003-2670. — DOI:10.1016/j.aca.2010.05.013.
  • Balabin R. M., Safieva R. Z., Lomakina E. I. Comparison of linear and nonlinear calibration models based on near infrared (NIR) spectroscopy data for gasoline properties prediction // Chemometrics and Intelligent Laboratory Systems. — 2007. — Vol. 88, iss. 2. — P. 183–188. — ISSN 0169-7439. — DOI:10.1016/j.chemolab.2007.04.006.
  • Balabin R. M., Lomakina E. I. Support vector machine regression (SVR/LS-SVM) — an alternative to neural networks (ANN) for analytical chemistry? Comparison of nonlinear methods on near infrared (NIR) spectroscopy data // The Analyst. — 2011. — Vol. 136, iss. 8. — P. 1703. — ISSN 0003-2654. — DOI:10.1039/c0an00387e.
  • Balabin R. M., Smirnov S. V. Melamine detection by mid- and near-infrared (MIR/NIR) spectroscopy: A quick and sensitive method for dairy products analysis including liquid milk, infant formula, and milk powder // Talanta. — 2011. — Vol. 85, iss. 1. — P. 562–568. — ISSN 0039-9140. — DOI:10.1016/j.talanta.2011.04.026.
  • Balabin R. M., Lomakina E. I., Safieva R. Z. Neural network (ANN) approach to biodiesel analysis: Analysis of biodiesel density, kinematic viscosity, methanol and water contents using near infrared (NIR) spectroscopy // Fuel. — 2011. — Vol. 90, iss. 5. — P. 2007–2015. — ISSN 0016-2361. — DOI:10.1016/j.fuel.2010.11.038.
  • Balabin R. M., Safieva R. Z. Gasoline classification by source and type based on near infrared (NIR) spectroscopy data // Fuel. — 2008. — Vol. 87, iss. 7. — P. 1096–1101. — ISSN 0016-2361. — DOI:10.1016/j.fuel.2007.07.018.
  • Balabin R. M., Safieva R. Z., Lomakina E. I. Wavelet neural network (WNN) approach for calibration model building based on gasoline near infrared (NIR) spectra // Chemometrics and Intelligent Laboratory Systems. — 2008. — Vol. 93, iss. 1. — P. 58–62. — ISSN 0169-7439. — DOI:10.1016/j.chemolab.2008.04.003.
  • Balabin R. M. Enthalpy difference between conformations of normal alkanes: Intramolecular basis set superposition error (BSSE) in the case of n-butane and n-hexane // The Journal of Chemical Physics. — 2008. — Vol. 129, iss. 16. — P. 164101. — ISSN 0021-9606. — DOI:10.1063/1.2997349.
  • Balabin R. M., Safieva R. Z. Biodiesel classification by base stock type (vegetable oil) using near infrared spectroscopy data // Analytica Chimica Acta. — 2011. — Vol. 689, iss. 2. — P. 190–197. — ISSN 0003-2670. — DOI:10.1016/j.aca.2011.01.041.
  • Syunyaev R. Z., Balabin R. M., Akhatov I. S., Safieva J. O. Adsorption of Petroleum Asphaltenes onto Reservoir Rock Sands Studied by Near-Infrared (NIR) Spectroscopy // Energy & Fuels. — 2009. — Vol. 23, iss. 3. — P. 1230–1236. — ISSN 0887-0624. — DOI:10.1021/ef8006068.
  • Balabin R. M., Lomakina E. I. Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies // The Journal of Chemical Physics. — 2009. — Vol. 131, iss. 7. — P. 074104. — ISSN 0021-9606. — DOI:10.1063/1.3206326.
  • Balabin R. M., Safieva R. Z. Motor oil classification by base stock and viscosity based on near infrared (NIR) spectroscopy data // Fuel. — 2008. — Vol. 87, iss. 12. — P. 2745–2752. — ISSN 0016-2361. — DOI:10.1016/j.fuel.2008.02.014.
  • Balabin R. M., Safieva R. Z., Lomakina E. I. Near-infrared (NIR) spectroscopy for motor oil classification: From discriminant analysis to support vector machines // Microchemical Journal. — 2011. — Vol. 98, iss. 1. — P. 121–128. — ISSN 0026-265X. — DOI:10.1016/j.microc.2010.12.007.
  • Balabin R. M., Lomakina E. I. Support vector machine regression (LS-SVM)—an alternative to artificial neural networks (ANNs) for the analysis of quantum chemistry data? // Physical Chemistry Chemical Physics. — 2011. — Vol. 13, iss. 24. — P. 11710. — ISSN 1463-9076. — DOI:10.1039/c1cp00051a.
  • Balabin R. M. Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n-Pentane and n-Butane // The Journal of Physical Chemistry A. — 2009. — Vol. 113, iss. 6. — P. 1012–1019. — ISSN 1089-5639. — DOI:10.1021/jp809639s.
    • Balabin R. M. Reply to “Comment on ‘Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n-Pentane and n-Butane’” // The Journal of Physical Chemistry A : Note. — 2010. — Vol. 114, iss. 24. — P. 6729–6730. — ISSN 1089-5639. — DOI:10.1021/jp103852d.
  • Balabin R. M., Syunyaev R. Z. Petroleum resins adsorption onto quartz sand: Near infrared (NIR) spectroscopy study // Journal of Colloid and Interface Science. — 2008. — Vol. 318, iss. 2. — P. 167–174. — ISSN 0021-9797. — DOI:10.1016/j.jcis.2007.10.045.
  • Balabin R. M., Syunyaev R. Z., Karpov S. A. Quantitative Measurement of Ethanol Distribution over Fractions of Ethanol−Gasoline Fuel // Energy & Fuels. — 2007. — Vol. 21, iss. 4. — P. 2460–2465. — ISSN 0887-0624. — DOI:10.1021/ef070081l.
  • Balabin R. M. Conformational Equilibrium in Glycine: Experimental Jet-Cooled Raman Spectrum // The Journal of Physical Chemistry Letters. — 2009. — Vol. 1, iss. 1. — P. 20–23. — ISSN 1948-7185. — DOI:10.1021/jz900068n.
  • Andrea Amantonico, Pawel L. Urban, Stephan R. Fagerer, Balabin R. M., Renato Zenobi. Single-Cell MALDI-MS as an Analytical Tool for Studying Intrapopulation Metabolic Heterogeneity of Unicellular Organisms // Analytical Chemistry. — 2010. — Vol. 82, iss. 17. — P. 7394–7400. — ISSN 1520-6882 0003-2700, 1520-6882. — DOI:10.1021/ac1015326.
  • Balabin R. M., Safieva R. Z. Capabilities of near Infrared Spectroscopy for the Determination of Petroleum Macromolecule Content in Aromatic Solutions // Journal of Near Infrared Spectroscopy. — 2007. — Vol. 15, iss. 6. — P. 343–349. — ISSN 0967-0335. — DOI:10.1255/jnirs.749.
  • Balabin R. M., Syunyaev R. Z., Karpov S. A. Molar enthalpy of vaporization of ethanol–gasoline mixtures and their colloid state // Fuel. — 2007. — Vol. 86, iss. 3. — P. 323–327. — ISSN 0016-2361. — DOI:10.1016/j.fuel.2006.08.008.
  • Balabin R. M. Tautomeric equilibrium and hydrogen shifts in tetrazole and triazoles: Focal-point analysis and ab initio limit // The Journal of Chemical Physics. — 2009. — Vol. 131, iss. 15. — P. 154307. — ISSN 0021-9606. — DOI:10.1063/1.3249968.
  • Balabin R. M. Conformational equilibrium in glycine: Focal-point analysis and ab initio limit // Chemical Physics Letters. — 2009. — Vol. 479, iss. 4-6. — P. 195–200. — ISSN 0009-2614. — DOI:10.1016/j.cplett.2009.08.038.
  • Balabin R. M. Polar (Acyclic) Isomer of Formic Acid Dimer: Gas-Phase Raman Spectroscopy Study and Thermodynamic Parameters // The Journal of Physical Chemistry A. — 2009. — Vol. 113, iss. 17. — P. 4910–4918. — ISSN 1089-5639. — DOI:10.1021/jp9002643.
  • Balabin R. M. The First Step in Glycine Solvation: The Glycine−Water Complex // The Journal of Physical Chemistry B. — 2010. — Vol. 114, iss. 46. — P. 15075–15078. — ISSN 1520-5207 1520-6106, 1520-5207. — DOI:10.1021/jp107539z.
  • Balabin R. M., Safieva R. Z. Near-Infrared (NIR) Spectroscopy for Biodiesel Analysis: Fractional Composition, Iodine Value, and Cold Filter Plugging Point from One Vibrational Spectrum // Energy & Fuels. — 2011. — Vol. 25, iss. 5. — P. 2373–2382. — ISSN 0887-0624. — DOI:10.1021/ef200356h.
  • Balabin R. M., Syunyaev R. Z., Thomas Schmid, Johannes Stadler, Lomakina E. I., Zenobi R. Asphaltene Adsorption onto an Iron Surface: Combined Near-Infrared (NIR), Raman, and AFM Study of the Kinetics, Thermodynamics, and Layer Structure // Energy & Fuels. — 2011. — Vol. 25, iss. 1. — P. 189–196. — ISSN 0887-0624. — DOI:10.1021/ef100779a.
  • Balabin R. M. The identification of the two missing conformers of gas-phase alanine: a jet-cooled Raman spectroscopy study // Physical Chemistry Chemical Physics. — 2010. — Vol. 12, iss. 23. — P. 5980. — ISSN 1463-9076. — DOI:10.1039/b924029b.
  • Balabin R. M. Intermolecular dispersion interactions of normal alkanes with rare gas atoms: van der Waals complexes of n-pentane with helium, neon, and argon // Chemical Physics. — 2008. — Vol. 352, iss. 1-3. — P. 267–275. — ISSN 0301-0104. — DOI:10.1016/j.chemphys.2008.06.015.
  • Barylyuk K. V., Chingin K., Balabin R. M., Zenobi R. Fragmentation of benzylpyridinium "thermometer" ions and its effect on the accuracy of internal energy calibration // Journal of the American Society for Mass Spectrometry. — 2010. — Vol. 21, iss. 1. — P. 172–177. — ISSN 1879-1123 1044-0305, 1879-1123. — DOI:10.1016/j.jasms.2009.09.023.
  • Law W. S., Chen H. W., Balabin R., Berchtold Ch., Meier L., Zenobi R. Rapid fingerprinting and classification of extra virgin olive oil by microjet sampling and extractive electrospray ionization mass spectrometry // The Analyst. — 2010. — Vol. 135, iss. 4. — P. 773. — ISSN 1364-5528 0003-2654, 1364-5528. — DOI:10.1039/b924156f.
  • Balabin R. M. Communications: Is quantum chemical treatment of biopolymers accurate? Intramolecular basis set superposition error (BSSE) // The Journal of Chemical Physics. — 2010. — Vol. 132, iss. 23. — P. 231101. — ISSN 0021-9606. — DOI:10.1063/1.3442466.
  • Barylyuk, K., Balabin, R.M., Grünstein, D., Kikkeri, R., Frankevich, V., Seeberger, P.H., Zenobi, R. What Happens to Hydrophobic Interactions during Transfer from the Solution to the Gas Phase? The Case of Electrospray-Based Soft Ionization Methods // Journal of The American Society for Mass Spectrometry. — 2011. — Vol. 22, iss. 7. — P. 1167–1177. — ISSN 1044-0305. — DOI:10.1007/s13361-011-0118-8.
  • Balabin R. M. Intramolecular basis set superposition error as a measure of basis set incompleteness: Can one reach the basis set limit without extrapolation? // The Journal of Chemical Physics : Communications. — 2010. — Vol. 132, iss. 21. — P. 211103. — ISSN 0021-9606. — DOI:10.1063/1.3430647.
  • Zhu L., Hu Z., Gamez G., Law W.S., Chen H., Yang S., Chingin K., Balabin R.M., Wang R., Zhang T., Zenobi R. Simultaneous sampling of volatile and non-volatile analytes in beer for fast fingerprinting by extractive electrospray ionization mass spectrometry // Analytical and Bioanalytical Chemistry. — 2010. — Vol. 398, iss. 1. — P. 405–413. — ISSN 1618-2642. — DOI:10.1007/s00216-010-3945-8.
  • Syunyaev R. Z., Balabin R. M. Frequency Dependence of Oil Conductivity at High Pressure // Journal of Dispersion Science and Technology. — 2007. — Vol. 28, iss. 3. — P. 419–424. — ISSN 1532-2351 0193-2691, 1532-2351. — DOI:10.1080/01932690601107773.
  • Chingin K., Balabin R. M., Frankevich V., Barylyuk K., Nieckarz R., Sagulenko P., Zenobi R. Absorption of the green fluorescent protein chromophore anion in the gas phase studied by a combination of FTICR mass spectrometry with laser-induced photodissociation spectroscopy // International Journal of Mass Spectrometry. — 2011. — Vol. 306, iss. 2-3. — P. 241–245. — ISSN 1387-3806. — DOI:10.1016/j.ijms.2011.01.014.
  • Chingin K., Frankevich V., Balabin R. M., Barylyuk K., Chen H., Wang R., Zenobi R. Direct Access to Isolated Biomolecules under Ambient Conditions // Angewandte Chemie International Edition. — 2010-01-26. — Vol. 49, iss. 13. — P. 2358–2361. — ISSN 1433-7851. — DOI:10.1002/anie.200906213.
  • Syunyaev R. Z., Balabin R. M. Polarization of Fluorescence of Asphaltene Containing Systems // Journal of Dispersion Science and Technology. — 2008. — Vol. 29, iss. 10. — P. 1505–1514. — ISSN 1532-2351 0193-2691, 1532-2351. — DOI:10.1080/01932690802316868.
  • Balabin R. M. Boryl Substitution of Acetaldehyde Makes It an Enol: Inconsistency between Gn/CBS and Ab Initio/DFT Data // The Journal of Physical Chemistry A. — 2010. — Vol. 114, iss. 10. — P. 3698–3702. — ISSN 1089-5639. — DOI:10.1021/jp911802v.
  • Balabin R. M. Enthalpy difference between conformations of normal alkanes: effects of basis set and chain length on intramolecular basis set superposition error // Molecular Physics. — 2011. — Vol. 109, iss. 6. — P. 943–953. — ISSN 1362-3028 0026-8976, 1362-3028. — DOI:10.1080/00268976.2011.558858.
  • Balabin R. M. Experimental thermodynamics of free glycine conformations: the first Raman experiment after twenty years of calculations // Phys. Chem. Chem. Phys. — 2012. — Vol. 14, iss. 1. — P. 99–103. — ISSN 1463-9076. — DOI:10.1039/c1cp20805e.
  • Balabin R. M., Smirnov S. V. Interpolation and extrapolation problems of multivariate regression in analytical chemistry: benchmarking the robustness on near-infrared (NIR) spectroscopy data // The Analyst. — 2012. — Vol. 137, iss. 7. — P. 1604. — ISSN 0003-2654. — DOI:10.1039/c2an15972d.
  • Balabin R. M. Conformational equilibrium in alanine: Focal-point analysis and ab initio limit // Computational and Theoretical Chemistry. — 2011. — Vol. 965, iss. 1. — P. 15–21. — ISSN 2210-271X. — DOI:10.1016/j.comptc.2011.01.008.
  • Chingin K., Balabin R. M., Frankevich V., Chen H., Barylyuk K., Nieckarz R., Fedorov A., Zenobi R. Optical properties of protonated Rhodamine 19 isomers in solution and in the gas phase // Physical Chemistry Chemical Physics. — 2010. — Vol. 12, iss. 42. — P. 14121. — ISSN 1463-9076. — DOI:10.1039/c0cp00482k.
  • Chingin K., Balabin R. M., Barylyuk K., Chen H., Frankevich V., Zenobi R. Rhodamines in the gas phase: cations, neutrals, anions, and adducts with 1metal cations // Physical Chemistry Chemical Physics. — 2010. — Vol. 12, iss. 37. — P. 11710. — ISSN 1463-9076. — DOI:10.1039/c000807a.

Literatur[Bearbeiten | Quelltext bearbeiten]

  • Bhanu Prasad Vempatapu, Pankaj K. Kanaujia. Monitoring petroleum fuel adulteration: A review of analytical methods // TrAC Trends in Analytical Chemistry. — 2017. — July (vol. 92). — P. 1–11. — ISSN 0165-9936. — DOI:10.1016/j.trac.2017.04.011.
  • Skvaril J., Kyprianidis K. G., Dahlquist E. Applications of near-infrared spectroscopy (NIRS) in biomass energy conversion processes: A review // Applied Spectroscopy Reviews. — 2017. — September (vol. 52, iss. 8). — P. 675–728. — ISSN 0570-4928. — DOI:10.1080/05704928.2017.1289471.
  • Marques D. B., Barradas Filho A. O., Romariz A. R. S., Viegas I. M. A., Luz D. A. Recent Developments on Statistical and Neural Network Tools Focusing on Biodiesel Quality // International Journal of Computer Science and Application. — 2014. — Vol. 3, iss. 3. — P. 97-110. — ISSN 2324-7134. — DOI:10.14355/ijcsa.2014.0303.01.
  • Shi H., Yu P. Exploring the potential of applying infrared vibrational (micro)spectroscopy in ergot alkaloids determination: Techniques, current status, and challenges // Applied Spectroscopy Reviews. — 2018. — Vol. 53, iss. 5. — P. 395—419. — ISSN 0570-4928. — DOI:10.1080/05704928.2017.1363771.
  • Curteanu S. Different types of applications performed with different types of neural networks // Artificial neural networks / ed. S. J. Kwon. — NY: Nova Science Publishers, 2011. — P. 101—136. — xiii, 426 p. — ISBN 9781617616976. — ISBN 1617616974.
  • Giwa S. O. Applications of Artificial Neural Networks to Predict Biodiesel Fuel Properties from Fatty Acid Constituents // Artificial Neural Networks: New Research / ed. Gayle Cain. — Nova Science Publishers, 2016. — 221 p. — (Computer science, technology and applications). — ISBN 9781634859646. — ISBN 978-163485979-0. — ISBN 1634859642.
  • Zachariah Steven Baird, Vahur Oja. Predicting fuel properties using chemometrics: a review and an extension to temperature dependent physical properties by using infrared spectroscopy to predict density // Chemometrics and Intelligent Laboratory Systems. — 2016. — November (vol. 158). — P. 41–47. — ISSN 0169-7439. — DOI:10.1016/j.chemolab.2016.08.004.
  • Constantinescu S., Sturla S. J., Marra G., Wollscheid B., Beerenwinkel N. Computational Data Integration in Toxicogenomics // Computational Systems Toxicology / eds. Julia Hoeng, Manuel C. Peitsch. — NY: Springer, Humana Press, 2015. — P. 371–392. — x, 430 p. — (Methods in Pharmacology and Toxicology; ISSN 1557-2153). — ISBN 29781493927784. — DOI:10.1007/978-1-4939-2778-4_15.
  • Anna Palou, Aira Miró, Marcelo Blanco, Rafael Larraz, José Francisco Gómez. Calibration sets selection strategy for the construction of robust PLS models for prediction of biodiesel/diesel blends physico-chemical properties using NIR spectroscopy // Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. — 2017. — June (vol. 180). — P. 119–126. — ISSN 1386-1425. — DOI:10.1016/j.saa.2017.03.008.
  • Narahara Chari Dingari, Ishan Barman, Ashwin Kumar Myakalwar, Surya P. Tewari, Manoj Kumar Gundawar. Incorporation of Support Vector Machines in the LIBS Toolbox for Sensitive and Robust Classification Amidst Unexpected Sample and System Variability // Analytical Chemistry. — 2012. — March (vol. 84, iss. 6). — P. 2686–2694. — ISSN 0003-2700. — DOI:10.1021/ac202755e.
  • Khayyam H., Golkarnarenji G., Jazar R. N. Limited Data Modelling Approaches for Engineering Applications // Nonlinear Approaches in Engineering Applications / eds. Liming Dai, Reza N. Jazar. — Cham: Springer International Publishing, 2018. — P. 345—379. — xxvi, 456 p. — ISBN 9783319694795. — ISBN 9783319694801. — DOI:10.1007/978-3-319-69480-1_12.
  • Yang Z., Wang Z., Hollebone B. P., Yang C., Brown C. E. Forensic Fingerprinting of Biodiesel and its Blends with Petroleum Oil // Standard Handbook Oil Spill Environmental Forensics: Fingerprinting and Source Identification / eds. S. A. Stout, Z. Wang. — 2nd ed. — Academic Press, Elsevier, 2016. — P. 565—640. — 1142 p. — ISBN 978-012809659-8. — ISBN 978-0-12-803832-1. — ISBN 9780128039021. — ISBN 0128038322. — ISBN 0128039027. — DOI:10.1016/B978-0-12-809659-8.00012-7.
  • Xavier Cetó, Nicolas H. Voelcker, Beatriz Prieto-Simón. Bioelectronic tongues: New trends and applications in water and food analysis // Biosensors and Bioelectronics. — 2016. — May (vol. 79). — P. 608–626. — ISSN 0956-5663. — DOI:10.1016/j.bios.2015.12.075.
  • Xiaonan Lu. Recent developments in infrared spectroscopy for the detection of food chemical hazards // Food Chemical Hazard Detection: Development and Application of New Technologies / ed. S. Wang. — Chichester: John Wiley & Sons, 2014. — P. 173—189. — ISBN 9781118488553. — ISBN 9781118488591. — DOI:10.1002/9781118488553.ch5.
  • Klavs Martin Sørensen, Bekzod Khakimov, Søren Balling Engelsen. The use of rapid spectroscopic screening methods to detect adulteration of food raw materials and ingredients // Current Opinion in Food Science. — 2016. — August (vol. 10). — P. 45–51. — ISSN 2214-7993. — DOI:10.1016/j.cofs.2016.08.001.
  • Shyam Narayan Jha, Pranita Jaiswal, Manpreet Kaur Grewal, Mansha Gupta, Rishi Bhardwaj. Detection of Adulterants and Contaminants in Liquid Foods—A Review // Critical Reviews in Food Science and Nutrition. — 2015. — May (vol. 56, iss. 10). — P. 1662—1684. — ISSN 1040-8398. — DOI:10.1080/10408398.2013.798257.
  • Jha S. N., Jaiswal P., Grewal M. K., Gupta M., Bhardwaj R. Detection of Adulterants and Contaminants in Liquid Foods—A Review // Critical Reviews in Food Science and Nutrition. — 2015. — May (vol. 56, iss. 10). — P. 1662–1684. — ISSN 1040-8398. — DOI:10.1080/10408398.2013.798257.
  • Qu J.-H., Liu D., Cheng J.-H., Sun D.-W., Ma J. Applications of Near-infrared Spectroscopy in Food Safety Evaluation and Control: A Review of Recent Research Advances // Critical Reviews in Food Science and Nutrition. — 2015. — May (vol. 55, iss. 13). — P. 1939–1954. — ISSN 1040-8398. — DOI:10.1080/10408398.2013.871693.
  • Steven M. Bachrach. Computational Organic Chemistry. — 2nd ed. — John Wiley & Sons, 2014. — 1070 p. — ISBN 9781118671221. — ISBN 978-111867119-1. — ISBN 978-111829192-4. — ISBN 1118671228. — DOI:10.1002/9781118671191.
  • Eric Gloaguen, Michel Mons. Isolated Neutral Peptides // Gas-Phase IR Spectroscopy and Structure of Biological Molecules / eds. Anouk Rijs, Jos Oomens. — Cham: Springer, 2015. — P. 225–270. — ix, 406 p. — (Topics in Current Chemistry, Vol. 364; ISSN 0340-1022). — ISBN 9783319192031. — ISBN 9783319192048. — ISBN 978-3-319-37865-7. — DOI:10.1007/128_2014_580.
  • Vincenzo Barone, Malgorzata Biczysko, Ivan Carnimeo. Computational Tools for Structure, Spectroscopy and Thermochemistry: Computational and Experimental Tools // Understanding Organometallic Reaction Mechanisms and Catalysis / ed. V. P. Ananikov. — Weinheim: Wiley-VCH, 2014. — P. 249–320. — ISBN 9783527678211. — ISBN 9783527335626. — DOI:10.1002/9783527678211.ch10.
    • Barone V., Biczysko M., Bloino J., Puzzarini Cr. Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine // Physical Chemistry Chemical Physics. — 2013. — Vol. 15, iss. 25. — P. 10094—10111. — ISSN 1463-9076. — DOI:10.1039/c3cp50439e.
  • Bazsó G., Magyarfalvi G., Tarczay G. Near-infrared laser induced conformational change and UV laser photolysis of glycine in low-temperature matrices: Observation of a short-lived conformer // Journal of Molecular Structure. — 2012. — October (vol. 1025). — P. 33–42. — ISSN 0022-2860. — DOI:10.1016/j.molstruc.2012.04.066.
  • Igor A. Kaltashov, Eyles S. J. Mass spectrometry in structural biology and biophysics : architecture, dynamics, and interaction of biomolecules. — 2nd ed. — Hoboken, NJ: Wiley, 2012. — 289 p. — ISBN 9781118232125. — ISBN 1118232127. — ISBN 9781118232088. — ISBN 1118232089. — ISBN 9781280590283.
  • Jonathan T. S. Hopper, Carol V. Robinson. Mass Spectrometry Quantifies Protein Interactions-From Molecular Chaperones to Membrane Porins // Angewandte Chemie International Edition. — 2014. — October (vol. 53, iss. 51). — P. 14002–14015. — ISSN 1433-7851. — DOI:10.1002/anie.201403741.
  • Sifeng Mao, Weiwei Li, Qiang Zhang, Wanling Zhang, Qiushi Huang, Jin-Ming Lin. Cell analysis on chip-mass spectrometry // TrAC Trends in Analytical Chemistry. — 2018. — October (vol. 107). — P. 43–59. — ISSN 0165-9936. — DOI:10.1016/j.trac.2018.06.019.

Weblinks[Bearbeiten | Quelltext bearbeiten]

Einzelnachweise[Bearbeiten | Quelltext bearbeiten]

  1. Kaltashov, Eyles, 2012, S. 90, 119.
  2. Hopper, Robinson, 2014, S. 14008, 14014.
  3. Mao S. et al., 2018, S. 44, 55.
  4. Vempatapu, Kanauji, 2017, S. 8–9, 11.
  5. Marques et al., 2014, S. 100–103, 106–107.
  6. Skvaril, Kyprianidis, Dahlquist, 2017, Characterization of biodiesel, S. 683, 685, 709–716, 720–727
  7. Shi H., Yu P., 2018, S. 407, 417.
  8. Curteanu, 2011, S. 103–118.
  9. Giwa, 2016, S. 87, 103.
  10. Baird, Oja, 2016, S. 42–43, 47.
  11. Constantinescu et al., 2015, S. 385, 391.
  12. Palou et al., 2017, S. 120, 126.
  13. Dingari et al., 2012, S. 2688, 2692, 2694.
  14. Khayyam, Golkarnarenji, Jazar, 2018, S. 375.
  15. Yang Z. et al., 2016, S. 573, 633.
  16. Cetó, Voelcker, Prieto-Simón, 2016, S. 611, 626.
  17. Sørensen, Khakimov, Engelsen, 2016, S. 47, 49.
  18. Lu X., 2014, S. 177, 187.
  19. Jha et al., 2015, S. 1672–1682.
  20. Qu J.-H. et al., 2015, S. 1940, 1949–1951.
  21. Lu X., 2014, S. 177–178, 187.
  22. Gloaguen, Mons, 2015, S. 227–229, 246, 260.
  23. Barone, Biczysko, Carnimeo, 2014, S. 288, 318.
  24. Bachrach, 2014, S. 490, 503.
  25. Bazsó, Magyarfalvi, Tarczay, 2012, S. 33–34, 42.
  26. Barone, Biczysko, Carnimeo, 2014, S. 288, 318.
  27. Scopus, Okt. 2018


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