Romanian Society of Pharmaceutical Sciences
 

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GC-MS ANALYSIS OF LONG CHAIN MANNOFURANOSE DERIVATIVES AS BIOCOMPATIBLE SURFACTANT PRECURSORS. CORRELATION BETWEEN PEAK INTENSITIES AND STABILITY OF CORRESPONDING FRAGMENTS

MADIAN RAFAILĂ1#, MIHAI-COSMIN PASCARIU2#, ALEXANDRA GRUIA3, MIRCEA PENESCU4,5, VICTOR LORIN PURCAREA4, MIHAI MEDELEANU1, LUCIAN-MIRCEA RUSNAC1*, CORNELIU MIRCEA DAVIDESCU1*

1 “Politehnica” University of Timişoara, Faculty of Industrial Chemistry and Environmental Engineering, 6 Vasile Pârvan Blvd, 300223, Timişoara, Romania
2 “Vasile Goldiş” Western University of Arad, Faculty of Medicine, Pharmacy and Dental Medicine, 31 Henri Coandă, 310429, Arad, Romania
3 Immunology of Transplant Department, 10 Iosif Bulbuca Blvd, 300736, Timişoara, Romania
4 “Carol Davila” University of Medicine and Pharmacy, 37 Dionisie Lupu, 020021, Bucharest, Romania
5 “Carol Davila” Hospital of Nephrology, 4 Calea Griviţei, 010701, Bucharest, Romania

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A new method of screening between two mannose isomeric derivatives, based on mass spectra (EI-GC-MS) analysis and their correlation with heats of formation estimated from semi-empirical calculations, is presented. The heats of formation for some main fragments, selected from the analyzed compounds mass spectra, were calculated with HyperChem and MOPAC software using semi-empirical methods (AM1, MINDO3, MNDO, RM1, PM3 and PM7) in trying to explain the difference between peak intensities obtained experimentally. These glycoderivatives can find multiple applications as biocompatible and biodegradable surfactant precursors in fields like pharmacy, medicine and biotechnologies.