Electrochemical and quantum chemical studies on mitomycin and adriamycin

Ozalp-Yaman, S
Önal, Ahmet Muhtar
Turker, L
In-situ spectroelectrochemical redox behaviour of two prominent chemotherapeutic agents, mitomycin and adriamycin were studied at constant potential. AM 1 (UHF) type quantum chemical calculations on the neutral as well as radical anion and cation forms of mitomycin and adriamycin were performed.


Critical behaviour of the specific heat calculated using the Raman frequencies of the lattice and internal modes near the lambda-phase transition in NH4Br
Sen, S.; Yurtseven, Hasan Hamit (Elsevier BV, 2007-05-27)
We calculate here the specific heat of NH4Br using our Raman frequency shifts for the lattice mode Of nu(7) TA (56 cm(-1)) and the internal mode Of nu(2) (1684 cm(-1)) near its lambda-phase transition (T-lambda = 234 K, P = 0). By analyzing our Raman frequency shifts, values of alpha = 0. 19 (T < T-lambda, and T > T-lambda) for the lattice mode, and alpha = 0.45 (T < T-lambda) and alpha = 0.57 (T > T-lambda) for the internal mode, are used as the values of the critical exponent for the specific heat to pred...
Raman bandwidths calculated for the librational ( a -phase) and internal (8, d loc and d phases) modes in solid N 2 using pseudospin-phonon coupling (PS) and energy-fluctuation (EF) models
Yurtseven, Hasan Hamit (Elsevier BV, 2020-10-01)
This study gives the calculation of the Raman bandwidths using the models of the pseudospin-phonon coupling (PS) and energy fluctuation (EF) where the Raman frequency calculated from the molecular field theory, is considered as the order parameter close to the phase transitions in nitrogen. In particular, we study the temperature dependence of the Raman bandwidths and frequency shifts of the Eg librational mode (zero pressure) and the internal modes of and (at various pressures) for the solid nitrogen by ...
Vibrational frequencies studied as a function of pressure in phase II of solid benzene
Yurtseven, Hasan Hamit; Kilit, E. (Elsevier BV, 2011-05-03)
The pressure dependence of the vibrational frequencies of six Raman modes is analyzed in phase II of solid benzene. The frequency shifts 1/nu(partial derivative nu/partial derivative P)(T) of those Raman modes are deduced from this analysis and they are related to the isothermal compressibility kappa(T)= -(1/V)(partial derivative V/partial derivative P)(T) through a constant isothermal mode Gruneisen parameter gamma(T) in phase II of solid benzene. The kappa(T) values predicted here are compared with the ka...
Pippard relations modified by the Raman frequency shifts for the phases I and II in NH4I
Yurtseven, Hasan Hamit (Elsevier BV, 2009-04-30)
Pippard relations in terms of the frequency shifts of the v(7) (40 cm(-1)) lattice mode, are established here for the phases I and II in NH4I. The temperature-induced frequency shift, (1/v)(partial derivative v/partial derivative T)(P) is calculated through the isobaric mode Gruneisen parameter gamma(P) using the lattice parameter data at zero pressure for the phases I and II in NH4I. From the frequency shifts, the specific heat C-P is calculated for the phases studied at zero pressure. Also, the pressure-i...
DFT calculations of pentalenoquinones: towards the interception of 2-bromopentalene-1,5-dione
Atalar, Taner; Algi, Fatih; Balcı, Metin (ARKAT USA, Inc., 2008-01-01)
To reveal the stability and the aromatic character of pentalenoquinones (PQs) 1-4 and the corresponding bromo derivatives (Br-PQs) 6-9, DFT calculations (B3LYP/6-311+G(d,p)) concerning the geometry optimization, total energy and nucleus independent chemical shift (NICS) values were performed. It was found that all of the compounds have planar geometry. As the energy difference between HOMO-LUMO energy levels (Delta epsilon=epsilon(LUMO) - epsilon(HOMO)) and total energies were considered for the pentalene f...
Citation Formats
S. Ozalp-Yaman, A. M. Önal, and L. Turker, “Electrochemical and quantum chemical studies on mitomycin and adriamycin,” JOURNAL OF MOLECULAR STRUCTURE, pp. 81–93, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/42005.