A new hybrid (experimental–theoretical) quantitative method for detection of relative anomer concentrations in water
- 134 Downloads
A novel and inexpensive hybrid (combined experimental and theoretical) approach was used to quantitatively identify anomer proportions of d-glucose, d-galactose and d-mannose in water. The study involves three parts: recording of experimental FT-IR spectra of monosaccharides in water, calculation of vibrational frequencies of all stable anomers of monosaccharides and regression analysis of theoretical and experimental intensities. No expensive experimental processes and high-level calculations were needed during the study. The results were compared with the data from pure experimental and molecular dynamic studies. It has been concluded that in water while d-glucose and d-mannose have two stable anomers, α-pyranose and β-pyranose, d-galactose has four stable anomers, α-pyranose, β-pyranose, α-furanose and β-furanose. Comparison of detected results with the literature data showed that the developed method is working for the quantitative detection of anomer proportions of monosaccharides in water.
KeywordsMonosaccharide Anomer FT-IR Molecular modeling
This work was supported by TUBITAK (The Scientific and Technological Council of Turkey) 2210-C program and BAP (Scientific Researches Department) of Balikesir University (Grant No: 2014/52).
- 3.Wells L, Vosseller K, Hart GW (2001) Am Assoc Adv Sci 291:2376Google Scholar
- 4.Helenius A, Aebi M (2001) Am Assoc Adv Sci 291:2364Google Scholar
- 5.Rudd PM, Elliott T, Cresswell P, Wilson IA, Dwek RA (2001) Am Assoc Adv Sci 291:2370Google Scholar
- 8.Robyt JF (1997) Essentials of carbohydrate chemistry. Springer, New YorkGoogle Scholar
- 10.Rao VSR, Qasba PK, Balaji PV, Chandrasekaran R (1998) Conformation of carbohydrates. Harwood Academic Publishers, Amsterdam, p 409Google Scholar
- 11.Finch P (1999) Carbohydrates: structures, syntheses and dynamics. Kluwer Academic Publishers, Dordrecht, pp 258–293Google Scholar
- 28.Claramunt RM, Lopez C, Santa Maria MD, Sanz D, Elguero J (2014) Prog Nucl Magn Reson Spectrosc 74:1–5Google Scholar
- 32.Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Keith T, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09, revision D01. GaussianInc, WallingfordGoogle Scholar
- 33.Jensen F (1999) Introduction to computational chemistry. Wiley, LondonGoogle Scholar
- 34.Parr RG, Yang W (1989) Density functional theory of atoms and molecules. Oxford University Press, New YorkGoogle Scholar