An International Quarterly Research Journal

ACL

                                                                                                       ISSN : 0971 - 9822

                                                                           Vol 18,  No 1&2,  July-December, 2014

Asian Chemistry Letters                                                                                                     Vol. 18, Nos. 3&4 (2014)81-113


Historical development of infrared and Raman spectroscopy in Hungary


Janos Minka,b
aResearch Centre of Natural Sciences, Hungarian Academy of Sciences
P.O. Box 286, H-1519, Budapest, Hungary;
bResearch Institute of Chemical and Process Engineering, Faculty of Information Technology,

University of Pannonia, P.O. Box 158, H-8201, Veszprém, Hungary

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The article is divided into three sections. The period up to 1950 is referred to as Initial period, study of diatomic molecules. Multiple applications of IR and Raman spectroscopy cover the period after 1950. This period could be called spectroscopy with dispersive (prism or grating) infrared spectrometers. Since the 1970s several additional methods of obtaining vibrational spectra have been developed; these are described as the newer forms of vibrational spectroscopy. The so called Fourier-transform revolution with interferometric techniques have become dominating since the 1970s when great developments have taken place in Raman spectroscopy as well. The most recent developments of FTIR and Raman microspectroscopy with special respect to imaging techniques will also be discussed. Beside the above major topics, the activity of Hungarian scientists in organization of international conferences devoted to vibrational spectroscopy will be reviewed. In addition, we are going to mention a great number of scientists-spectroscopists who had Hungarian origin, but whose main professional activities were established outside their mother country. © Anita Publications. All rights reserved.
Keywords: Fourier-transform revolution, Diatomic molecules, Rowland mounting, Double beam prism instruments.

Total Refs : 293

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Asian Chemistry Letters                                                                                                   Vol. 18, Nos. 3&4 (2014)115-122


Study on tautomerism of  biomolecule 5-aminouracil: Structure and effect of water


Anupma1 , J K Vats2, M Alcolea Palafox3*, Daisy Bhat4 and V K Rastogi4,5
1Department of Chemistry, SRM University (NCR Campus), Modinagar-201 204, India
2Department of Applied Sciences, R K Goel Institute of Technology, Ghaziabad-201 003, India
3Departamento de Química-Fisica1. Facultad de Ciencias Químicas, Universidad Complutense. Madrid- 28040. Spain.
4R D Foundation Group of Institutions, NH-58, Kadrabad (Modinagar), Ghaziabad-201 004, India
5Indian Spectroscopy Society, KC 68/1, Old Kavinagar, Ghaziabad-201 002, India

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For the first time, equilibrium geometry of all the tautomeric forms of biomolecule 5-aminouracil (5-AU) were determined and optimized by the MP2 ab initio method and a comparison with the molecule of uracil was made. The relative stabilities of all tautomers were established. The effect of water on the two main tautomers of 5-AU was estimated by using an explicit number of ten water molecules surrounding the 5AU molecule. The microhydrated environment stabilizes the enol form more than the canonical keto one, although this one continues being the most stable. The present study, further shows a noticeable improvement in the results by MP2 method as compared with B3LYP DFT method. © Anita Publications. All rights reserved.

Kewwords: 5-aminouracil, Antitumour, Antibacterial,  DNA, RNA, 5-substituted uracils

Total Refs : 30

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Study on tautomerism of biomolecule 5-aminouracil: Structure and effect of water
Anupma, J K Vats, M Alcolea Palafox, Daisy Bhat and V K Rastogi