Avtor/Urednik		Filipič, B; Štrancar, J
Naslov		Advanced parameter optimization in EPR spectroscopy
Tip		članek
Vir		Adv Comput Bioeng Ser
Vol. in št.		Letnik 7
Leto izdaje		2003
Obseg		str. 443-52
Jezik		eng
Abstrakt		We present an automated optimization procedure to enhance the characterization of biological systems with electron paramagnetic resonance (EPR). EPR is a physical phenomenon exploited in EPR spectroscopy to detect changes in organisms caused by biologically active substances or resulting from pathological conditions. In the past, EPR spectral characteristics were interpreted manually, while nowadays numerical spectrum simulation makes it possible to obtain more reliable and biologically meaningful information about the inspected system. For this purpose, the parameters of the spectrum simulation model need to be tuned so that the resulting simulated spectrum matches with the experimentally obtained EPR spectrum. To search for appropriate parameter values, we have integrated the simulation model with an evolutionary optimization algorithm. Our initial results indicated that this approach alleviates the weaknesses of previously used humannavigated optimization techniques and saves much of the spectroscopist's time. In this paper we provide further empirical results on the robustness of this approach and its application in cell membrane characterization.
Deskriptorji		ELECTRON SPIN RESONANCE SPECTROSCOPY COMPUTER SIMULATION MEMBRANES, ARTIFICIAL LIPOSOMES PHOSPHATIDYLCHOLINES GANGLIOSIDES