Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Multiscale time-resolved fluorescence study of a glycogen phosphorylase inhibitor combined with quantum chemistry calculations
Δημιουργός/Συγγραφέας:	Maffeis V. Mavreas K. Monti F. Mamais M. Gustavsson T. [EL] Χρυσίνα, Ευαγγελία Δ.[EN] Chrysina, Evangelia D. Markovitsi D. Gimisis T. Venturini A.
Εκδότης:	Royal Society of Chemistry
Ημερομηνία:	2019
Γλώσσα:	Αγγλικά
ISSN:	1463-9076
DOI:	10.1039/c8cp07538g
Άλλο:	PubMed ID: 30912774
Περίληψη:	A fluorescence study of N1-(β-d-glucopyranosyl)-N4-[2-acridin-9(10H)-onyl]-cytosine (GLAC), the first fluorescent potent inhibitor of glycogen phosphorylase (GP), in neutral aqueous solution, is presented herein. Quantum chemistry (TD-DFT) calculations show the existence of several conformers both in the ground and first excited states. They result from rotations of the acridone and cytosine moieties around an NH bridge which may lead to the formation of non-emitting charge-transfer states. The fingerprints of various conformers have been detected by time-resolved fluorescence spectroscopy (fluorescence upconversion and time-correlated single photon counting) and identified using as criteria their energy, polarization and relative population resulting from computations. Such an analysis should contribute to the design of new GP inhibitors with better fluorescence properties, suitable for imaging applications.
Τίτλος πηγής δημοσίευσης:	Physical Chemistry Chemical Physics
Τόμος/Κεφάλαιο:	21
Τεύχος:	14
Σελίδες:	7685-7696
Θεματική Κατηγορία:	[EL] Βιολογία (Γενικά)[EN] Biology (General) [EL] Χημεία (Γενικά)[EN] Chemistry (General)
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2019 the Owner Societies.
Όροι και προϋποθέσεις δικαιωμάτων:	All Open Access, Green
Σημειώσεις:	Seventh Framework Programme, FP7: 284464; European Commission, EC; Seventh Framework Programme, FP7. This work was supported by Heracleitus II (awarded to M. M), LASERLAB-EUROPE (FP7 No. 284464) and ‘‘Progetto Bandiera’’ N-CHEM (to A. V). K. M. acknowledges funding from the Hellenic National Scholarships Foundation through a ‘‘Strengthening of Human Resources through Doctoral Research’’ program, co-financed by the European Union (European Social Fund ESF) and Greek national funds through the Operational Program ‘‘Human Resource Development, Education and Lifelong Learning’’ 2014–2020.
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο