Eguchi, Kazuja

Hovancova, Jana

Kawaguchi, Tsubasa

Kita, Rio

Niether, Doreen

Wiegand, Simone

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• complexes formation are confirmed between CD and aspirin from NMR measurement• At the high temperature the complex capability weakens• behaviour of pure CDs and un-methylated CD-complexes fits donor-acceptor model[5]• fewer HB sites result in a higherST/stronger thermophobicity• drug-complex of methyl-β-CD behavesdifferent • possible explanations are polarisation orcharge effects• more information about structure of methyl-β-CD-complex is needed-10-505-20-100102010 20 30 40 50 60468 -CD -CD+aspirin -CD -CD+aspirin -CD -CD+aspirinST / 10-3  K-1 methyl--CD+aspirin methyl--CD -CD -CD+aspirinST / 10-3  K-1 aspirin ST / 10-3  K-1temperature / oCmcyclodextrinsThermophoresis of cyclodextrinswith/without  aspirin in waterK. Eguchi1, D. Niether2 , J. Hovancova3 , T. Kawaguchi 1 , R. Kita1 and S. Wiegand2,41School of Science, Tokai University, Hiratsuka Kanagawa 259-1292, Japan2ICS-3 Soft Condensed Matter, Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany3Chemistry Department, Pavol Jozef Šafárik Univerzity, Košice, Slovakia4Chemistry Department – Physical Chemistry, University Cologne, D-50939 Cologne, GermanyMotivation [1]Conclusion[1] Del Valle, E.M.M., Process Biochemistry 39 (2004) 1033.[2] Wiegand, S., in Functional Soft Matter, J.K.G. Dhont, et al., Editors. 2015, FZJ. F4 [3] Eguchi, K. et al., Eur. Phys. J. E (2016) accepted[4] Loftsson, T et al., Eur. J. Pharma. Sci, 1 (1993) 95.[5] Maeda, K. et al., J. Chem. Phys., 143 (2015) 124504[6] Wang, D.-W. et al.., Carbohyd. Polym., 93(2013) 753ReferencesFlux j along a temperature gradient:(1) thermal diffusion DT along a temperaturegradient T(2) Fickian diffusion D along the inducedconcentration gradient c.System TDFRS results [3]• Controlled movement of drugs into certain, e.g. inflamed, areas• Check complex formation: -, -, - and methyl--cyclodextrin with aspirin by NMR• investigation of thermophoretic behaviorIn the steady state (j=0) the Soret coefficientST is definedNMR measurements [4], [6]aspirin(acetylsalicylic acid)molar 1:1-ratio: CD:aspirinconcentration: 1wt% CDThermophoresis [2]1243R = CH3, H123456OHOH0 2 4 6 8 10 12-4-20   -CD -CD -CD m-CD -CD+asa -CD+asa -CD+asa m-CD+asaST(20o C) / 10-3 K-1Ndon-Nacc-14 -1246810  1345265spectrum of and aspirin 25spectrum of and aspirin 25ୟୱ୮େୈH1H3,5H2,4,6ୟୱ୮ ୟୱ୮ୟୱ୮ୟୱ୮େୈେୈେୈ ,5େୈେୈ1 2 3 4 5 60.000.050.100.15H1 H3,5 H2,4,6 T=25oC T=60oC T=24oC [4]   / ppmnumber of H-CD T=25oC T=60oC  number of Hmethyl--CDେୈHHMagnetic field of inwards pointing protons (H3 and H5) is influenced by aspirin(guest molecule). ・large value is observed for H3 and H5 compared to the other protons.・ value of H3 and H5 is decreased by heating.・small value observed for H3,5 compared   to s H3 and H5.・ value of H3,5 is decreased by heating.Inclusion complex is confirmed for both CDs.Mitglied der Helmholtz-Gemeinschaft

Thermophoresis of cyclodextrins with/without aspirin in water

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Thermophoresis of cyclodextrins with/without aspirin in water

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