TIME-DOMAIN SIMULATION OF ESR-SPECTRA OF NITROXIDE SPIN PROBES

被引:17
作者
EVIATAR, H
VANFAASSEN, EE
LEVINE, YK
HOULT, DI
机构
[1] UNIV UTRECHT,DEBYE INST,DEPT MOLEC BIOPHYS,BUYS BALLOT LAB,PRINCETONPL 5,3584 CC UTRECHT,NETHERLANDS
[2] UNIV UTRECHT,BIJVOET CTR BIOMOLEC RES,CTR INVIVO NMR,3584 CJ UTRECHT,NETHERLANDS
关键词
D O I
10.1016/0301-0104(94)00008-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A time-domain method of simulating the ESR spectrum of a nitroxide spin probe undergoing reorientational motion is described. The method requires as input a time trajectory of the stochastic orientation of the nitroxide radical. This trajectory may be generated from any arbitrary prescription for the mode of molecular motion. The potential of the method is demonstrated by the simulation of the ESR spectra of steroid nitroxide spin probes in oriented lipid bilayers over a large range of motional correlation times.
引用
收藏
页码:369 / 376
页数:8
相关论文
共 26 条
[1]  
CASSOL R, 1993, J PHYS CHEM-US, V97, P1933
[2]   NUMERICAL SIMULATIONS OF ELECTRON-SPIN RESONANCE-SPECTRA - UNIFIED DESCRIPTION AND COMPARISON OF THE LANCZOS-ALGORITHM, THE GENERALIZED MORI METHOD, AND PADE APPROXIMANTS [J].
DAMMERS, AJ ;
LEVINE, YK ;
TJON, JA .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (08) :4505-4513
[3]   A NEW APPROACH FOR THE SIMULATION OF ESR LINESHAPES OVER A LARGE RANGE OF CORRELATION TIMES [J].
EVIATAR, H ;
VANFAASSEN, E ;
LEVINE, YK .
CHEMICAL PHYSICS LETTERS, 1992, 195 (2-3) :233-238
[4]   ANISOTROPIC ROTATIONAL DIFFUSION + ELECTRON SPIN RESONANCE LINEWIDTHS [J].
FREED, JH .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (07) :2077-&
[5]  
FREED JH, 1976, SPIN LABELING THEORY, V1, P53
[6]  
Helstrom C.W., 1991, PROBABILITY STOCHAST, V2rd
[7]  
ITZKOWITZ MS, 1967, J CHEM PHYS, V46, P174
[8]  
IVANOV EN, 1964, ZH EKSP TEOR FIZ+, V0018, P01041
[9]   SLOW-MOTION ESR STUDY OF ORDER AND DYNAMICS IN ORIENTED LIPID MULTIBILAYERS - EFFECTS OF UNSATURATION AND HYDRATION [J].
KORSTANJE, LJ ;
VANFAASSEN, EE ;
LEVINE, YK .
BIOCHIMICA ET BIOPHYSICA ACTA, 1989, 980 (02) :225-233
[10]   ELECTRON-SPIN RESONANCE OF SYMMETRICAL 3-SPIN SYSTEMS IN NEMATIC LIQUID-CRYSTALS .2. SLOW-MOTIONAL SPECTRA [J].
KOTHE, G .
MOLECULAR PHYSICS, 1977, 33 (01) :147-158