A computer-generated supercoiled model of the pUC19 plasmid

DNA models have become a powerful tool in the simulation of radiation-induced molecular damage. Here, a computer code was developed which calculates the coordinates of individual atoms in supercoiled plasmid DNA. In this prototype study, the known base-pair sequence of the pUC19 plasmid has been utilized. The model was built in a three-step process. Firstly, a Monte Carlo simulation was performed to shape a segment chain skeleton. Checks on elastic energy, distance and unknotting were applied. The temperature was considered in two different ways: (1) it was kept constant at 293 K and (2) it was gradually reduced from 350 K to less than 10 K. Secondly, a special smoothing procedure was introduced here to remove the edges from the segment chain without changing the total curve length while avoiding the production of overshooting arcs. Finally, the base pair sequence was placed along the smoothed segment chain and the positions of all the atoms were calculated. As a first result, a few examples of the supercoiled plasmid models will be presented, demonstrating the strong influence of appropriate control of the system temperature

On the biological efficiency of I-123 and I-125 decay on the molecular level

To evaluate DNA damage of Auger emitters by numerical modelling at the molecular level.Energy emission spectra of I-123 and I-125 were used as input data for a computer code that simulates the complete transport of electrons and photons from the physical stage up to the primary chemical stage at 10(-7) s. The simulation was performed in a complex environment of liquid water, DNA structures and scavengers. Electron and photon interactions with the DNA molecules were carefully managed. Simulations were carried out with both I-123 and I-125 bound to a pBR322 plasmid or free in its vicinity.The distributions of direct and indirect single strand breaks (SSB) and double strand breaks (DSB) as a function of the kinetic energy of the emitted Auger electrons show that damage is caused primarily by electrons with energies lower than 800 eV, while higher energy electrons are mainly involved in indirect effects. The yields per unit energy emitted strengthen this fact. When compared to experimental values, the calculated yields of linearization (LE) and relaxation (RE) events show good agreement as well as does the ratio LE/RE for each radionuclide and the ratio I-125/I-123 in the case of LE

Locking compression plate osteosynthesis of complicated mandibular fractures in six horses

Complicated mandibular fractures were recognised in one foal, one pony and four horses. The foal was two months old while the adult animals ranged in age from 12 to 24 years. Three horses had a unilateral horizontal ramus fracture. Two fractures were open and one was closed. Comminution was present in one of these patients while lthe other two horses had marked displacement of the fragments. Two suffered from comminuted fractures of the horizontal and vertical ramus of the mandible. One of these patients had open and infected fractures. One foal had a bilateral horizontal ramus fracture with mrked periosteal "new bone" formation and malalignement which required corrective osteotomy. Each horse underwent locking compression plate (LCP) osteosynthesis consisting of open fracture reduction and application of one to three 4.5/5.0 mm LCP at the ventral, lateral or caudal aspect of the mandible under fluoroscopic control. Two 3.5 mm LCP were used in the foal. Plate fixation was supported by application of a cerclage wire construct between the incisor and premolar teeth in most patients. Complete fracture healing, with excellent functional and cosmetic outcome was achieved in all of the patients. Complications encountered included seroma formation, screw and wire breakage, as well as implant and apical tooth root infections. The LCP was removed after fracture healing had occurred in four patients

Computer simulation of strand break yields in plasmid pBR322: DNA damage following decay

This paper presents results of (125)I effects on plasmid pBR322 in aqueous solution, simulating the complete transport of Auger and X rays up to the chemical phase. In addition to new sampling algorithms, new electronic cross sections are included. Simulations were carried out both with (125)I, bound to plasmid, or free, in its vicinity. The influence of the hydroxyl radical scavenger dimethyl sulfoxyde (DMSO) has also been tested, underlying that, in naked DNA, double strand breaks (caused by the decay of bound (125)I) are mainly due to direct hits. The calculated yields of relaxation events (RE) and linearization events (LE) show good agreement with experimental ones: when (125)I is bound to the plasmid pBR322, 0.16 RE and 0.83 LE per decay (without DMSO) are then observed. Then, when 2 mol DMSO is added, RE and LE probabilities become 0.22 and 0.76. The very light differences with those from literature could arise from experimental conditions

Computer simulation of strand break yields in plasmid PBR322: DNA damage following I-125 decay

This paper presents results of (125)I effects on plasmid pBR322 in aqueous solution, simulating the complete transport of Auger and X rays up to the chemical phase. In addition to new sampling algorithms, new electronic cross sections are included. Simulations were carried out both with (125)I, bound to plasmid, or free, in its vicinity. The influence of the hydroxyl radical scavenger dimethyl sulfoxyde (DMSO) has also been tested, underlying that, in naked DNA, double strand breaks (caused by the decay of bound (125)I) are mainly due to direct hits. The calculated yields of relaxation events (RE) and linearization events (LE) show good agreement with experimental ones: when (125)I is bound to the plasmid pBR322, 0.16 RE and 0.83 LE per decay (without DMSO) are then observed. Then, when 2 mol DMSO is added, RE and LE probabilities become 0.22 and 0.76. The very light differences with those from literature could arise from experimental conditions

Computer simulation of strand break yields in plasmid pBR322: DNA damage following decay

This paper presents results of (125)I effects on plasmid pBR322 in aqueous solution, simulating the complete transport of Auger and X rays up to the chemical phase. In addition to new sampling algorithms, new electronic cross sections are included. Simulations were carried out both with (125)I, bound to plasmid, or free, in its vicinity. The influence of the hydroxyl radical scavenger dimethyl sulfoxyde (DMSO) has also been tested, underlying that, in naked DNA, double strand breaks (caused by the decay of bound (125)I) are mainly due to direct hits. The calculated yields of relaxation events (RE) and linearization events (LE) show good agreement with experimental ones: when (125)I is bound to the plasmid pBR322, 0.16 RE and 0.83 LE per decay (without DMSO) are then observed. Then, when 2 mol DMSO is added, RE and LE probabilities become 0.22 and 0.76. The very light differences with those from literature could arise from experimental conditions