Analytical Chemistry and Computer Chemistry

By , March 11, 2007 12:13 pm

Staff:
1. Assoc. Prof. Veselin Jordanov Kmetov, PhD – Head of Department
2. Prof. Georgi Nikolov Andreev, DSc
3. Assoc. Prof. Draga Atanasova, PhD
4. Assoc. Prof. Nikolay Todorov Kochev, PhD
5. Assoc. Prof. Violeta Milenkova Stefanova, PhD
6. Assist. Prof. Hristina Georgieva Malakova, PhD
7. Assist. Prof. Plamen Nikolov Penchev, PhD
8. Assist. Prof. Atanas Tanov Terziyski, PhD
9. Assist. Prof. Jivko Ivanov Denchev, PhD
10. Assist. Prof. Kiril Kostov Simitchiev, PhD
11. Assist. Prof. Deana Liubomirova Georgieva
12. Assist. Prof. Ognyan Petkov Pukalov
13. Neda Dimitrova Danova, MSc
14. Petia Nikolova Balabanova, MSc
15. Vasilka Vasileva Stefanova, MSc
16. Stoian Ivanov Tenev, MSc
17. PhD student Lora Ivanova Georgieva
18. PhD student Lulcho Rangelov Popov

  • Molecular spectroscopy
    Analytical applications of vibrational spectroscopy, quantum chemisty and chemical information for structural elucidation of chemical compounds and ordered molecular systems:
    – Determination of natural constituents in biomaterials by means of Raman spectroscopy;
    – Studying of vibrational and electronic structure as well as physical phenomenon with the aid of IR and Raman spectroscopy;
    – Creation of knowledge-based systems in which spectroscopic and chemical expertise is encoded to assist spectra interpretation;
    – Developing routine approaches of searching in spectral libraries;
    – Implementing pattern recognition techniques which have the ability to recognize structural properties by classifying spectral data.

    Team:
    Prof. G. Andreev, DSc.
    Assoc. Prof. N. Kochev, PhD
    Assist. Prof. P. Penchev, PhD
    Assist. Prof. O. Pukalov

    Selectted publications:
    1. P. Penchev, G. N. Andreev, K. Varmuza. “Automatic Classification of Infrared Spectra Using a Set of Improved Expert-based Features”. Anal. Chim. Acta, 388 (1-2), 145-159 (1999).
    2. G.N. Andreev, O. Argirov, V, Ognianova. Implementation of expert system EXPIRS for interpretation of infrared spectra of negative ions of organic compounds J. Molec. Structure, 598, 27-35 (2001).
    3. G. N. Andreev, B. Schrader, R. Boese, P. Rademacher, L. von Cranach. Non-destructive NIR-FT-Raman analyses in practice. Part II. Analyses of ‘jumping’ crystals, photosensitive crystals and gems.” Fresenius J. Anal. Chem. 371, 1018-1022 (2001)
    4. N.T. Kochev, M.I. Rogojerov, and G.N. Andreev. “A new graphical approach for improved user control of Fourier self deconvolution of infrared spectra”. Vibrat. Spectrosc. 25, 177-183, (2001).
    5. G.N. Andreev, B. Schrader, D.A. Hristozova, V.B. Delchev, J.S. Petrov, P. Rademacher. Vibrational spectra and structure of the photochromic 2-(2’,4’-dinitrobenzyl)pyridine. Journal of Molecular Structure, 645(1), 77-87 (2003).
    6. B. Schrader, H. Schulz, M. Baranska, G. N. Andreev, C. Lehner, J. Sawatzki. “Non-destructive Raman analyses – polyacetylenes in plants”. Spectrochimica Acta, part A 61, 1395-1401 (2005).

  • Atomic Spectroscopy
    Analytical application of atomic spectrometry methods (AAS, ICP-OES and ICP-MS) for trace elements determination in environmental, clinical and industrial samples
    – Development of pre-concentration and separation techniques compatible with atomic spectrometry methods: Liquid-Liquid Extraction; MW-assisted Cloud point extraction; Co-precipitation and Acid leaching
    – Correction of matrix induced interferences in ICP-MS and ICP-OES:
    i) formation of matrix based polyatomic ions and development of procedures for spectral interference corrections;
    ii) application of internal standardization for correction of non-spectral interference
    – Application of discrete sample introduction (FI, ETV) for analysis of heavy matrices
    – Metrology in Chemistry, Data acquisition and treatment

    Team:
    Assoc. Prof. V. Kmetov, PhD
    Assoc. Prof. V. Stefanova, PhD
    Assist. Prof. D. Georgieva
    K. Simitchiev, PhD

    Selectted publications:
    1. V. Kmetov, V. Stefanova, D. Hristozov, D. Georgieva and A. Canals. “Determination of calcium, iron and manganese in moss by automated discrete sampling flame atomic-absorption spectrometry as an alternative to the ICP-MS analysis”. Talanta, 59, 123 (2003).
    2. V.Stefanova, V. Kmetov and A. Canals. “Application of internal standardization in ICP-QMS through discrete sample introduction methodologies”. J. Anal. Atom. Spectrom., 2003, 18, 1117.
    3. D. Hristozov, C. E. Domini, V. Kmetov, V. Stefanova, D. Georgieva and A. Canals. Direct ultrasound-assisted extraction of heavy metals from sewage sludge samples for ICP-OES analysis”. Analytica Chimica Acta, 2004, 516, 187.
    4. V. Stefanova, V. Kmetov and A. Canals. “A Method for calculation of dead time correction and mass discrimination factor for isotope analysis of uranium by ICP-MS”. Plovdiv University Scientific papers– Chemistry, 34, 5, 51 (2006).
    5. K. Simitchiev, V. Stefanova, V. Kmetov and A. Canals. “Cloud Point Extraction of Rh, Pd and Pt complexes with 2-mercaptobenzothiazole as preconcentration procedure for ICP-MS”. Annual of University of Sofia – Faculty of Chemistry 2006 (in press).

  • Atmospheric chemistry
    Studying the kinetics of processes as gas phase radical reactions and heterogeneous interactions of gas species on ice surfaces is a major priority of the atmospheric chemistry, related to the ozone depletion and climate changes. It is found that the adsorption/desorption kinetics on ice is strongly influenced by the ice porosity, bulk and pore diffusion and solubility (Henry solution). We work in the area of computer modeling and heterogeneous, surface and bulk processes with importance for the atmosphere.

    Team:
    Assist. Prof. A. Terziyski, PhD

    Selected publications:
    1. Behr, P., A. Terziyski, R. Zellner, Z., Acetone Adsorption on Ice Surfaces in the Temperature Range T = 190-220 K: Evidence for Aging Effects Due to Crystallographic Changes of the Adsorption Sites, J. Phys. Chem. A, 110 (26), 8098-8107 (2006).
    2. Terziyski, A, P. Behr, R. Zellner, Modeling of adsorption and desorption processes in coated wall flow tube reactors, Faculty of Chemistry, University of Plovdiv, Scientific Works – Chemistry, vol. 32, book 5, (2004), 31-38.
    3. Behr, P., U. Scharfenort, A. Terziyski, R. Zellner, Thermodynamics of the interaction of acetone and acetic acid with ice surfaces at temperatures between 190 and 223 K, Torus-pess (2004).
    4. Behr, P., A. Terziyski, R. Zellner, Z., Reversible Gas Adsorption in Coated Wall Flow Tube Reactors. Model Simulations for Langmuir Kinetics. Z. Phys. Chem. 218 (2004) 1307.
    5. Behr, P., U. Scharfenort, A. Terziyski, K. Demiral, R. Zellner,  International Symposium on Combustion and Atmospheric Pollution, (2003), 575-578.

  • Flow injection analysis with electrochemisty and photometry sensors.
  • Team:
    Zh. Denchev, PhD

    Selected publications:
    1. N.K. Nikolov, Zh. Denchev, Thin layer mercury film electrode in flow injection systems, Ovidius University Anals of Chemistry, V.14, N.1, p.28-31, 2003.
    2. Zh. Denchev, N.K. Nikolov, Analytical behaviour of thin doule layer mercury film electrode, Ovidius University Anals of Chemistry, V.14, N.1, p.32-35, 2003.
    3. Fotometric analysis with LED, Scientific researches of the Union of Scientists – Plovdiv, series B. Natural Sciences and Humanitics, Vol. IV. 24 October 2003, pp. 146-149.
    4. Zh. Denchev, N. Nikolov, Flow-injection analysis with a small cylindrical wire type electrode,CEJC, June,2,(3) 2004 1-11
    5. Zh. Denchev, N. Nikolov, Anodic Stripping Voltammetry with Mercuri Thin Film Electrode, Balkan Conference of Young Scientists, 16-18 June 2005 –Plovdiv, p.321-326

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