Dosimetric evaluation of Gammamed High Dose Rate intraluminal brachytherapy applicators

BackgroundA survey of the literature on intraluminal brachytherapy reveals that even for a given tumour site, the dose prescribed varies considerably from one centre to another for multiple reasons: the treatment intent, the association with external beam therapy or not, the dose rate, the technique used and the point of dose specification. There is no common language in the literature as to how doses should be recorded and reported.AimThe purpose of this study was to dosimetrically evaluate various intraluminal brachytherapy applicators for the Gammamed high dose rate afterloading system.Materials/MethodsDosimetric evaluation was carried out for 8mm, 10mm, 12mm and 14mm diameter intraluminal applicators available with the Gammamed high dose rate after-loading system. Treatment planning for these applicators was carried out with the Abacus treatment planning system for active source length and 8cm, 10cm and 12cm. All evaluations were carried out for a prescription dose of 5Gy at the reference point of 1cm from the source axis. Reference volume length (RVL), treated volume (TV) and hyperdose sleeve radius (HSR) were noted down from the isodose plans. Iterative, geometric and equal times optimization routines were carried out for all evaluations with step size of 0.5cm.ResultsThe isodose curves showed tapering pattern towards the distal and proximal regions. The reference volume lengths were larger than active source lengths for 8mm and 10mm diameter applicators. Reference volume lengths were smaller than active source lengths for 12mm and 14mm diameter applicators hyperdose sleeve radius decreases with increase in diameter of the applicator. For 14mm diameter applicators, the hyperdose sleeve radius was smaller than the radius of the reference isodose. Iterative optimization routine gave a better average in terms of reference volume length for all four diameter applicators.ConclusionsWe evaluated the dosimetric parameters for various intraluminal applicators available with the Gammamed high dose rate remote afterloading system. The values of RVL and HSR were within acceptable limits for the four applicators considered in this study

Hierarchical porous carbon foam electrodes fabricated from waste polyurethane elastomer template for electric double-layer capacitors

Plastic waste has become a major global environmental concern. The utilization of solid waste-derived porous carbon for energy storage has received widespread attention in recent times. Herein, we report the comparison of electrochemical performance of porous carbon foams (CFs) produced from waste polyurethane (PU) elastomer templates via two different activation pathways. Electric double-layer capacitors (EDLCs) fabricated from the carbon foam exhibited a gravimetric capacitance of 74.4 F/g at 0.1 A/g. High packing density due to the presence of carbon spheres in the hierarchical structure offered excellent volumetric capacitance of 134.7 F/cm3 at 0.1 A/g. Besides, the CF-based EDLCs exhibited Coulombic efficiency close to 100% and showed stable cyclic performance for 5000 charge–discharge cycles with good capacitance retention of 97.7% at 3 A/g. Low equivalent series resistance (1.05 Ω) and charge transfer resistance (0.23 Ω) due to the extensive presence of hydroxyl functional groups contributed to attaining high power (48.89 kW/kg). Based on the preferred properties such as high specific surface area, hierarchical pore structure, surface functionalities, low metallic impurities, high conductivity and desirable capacitive behaviour, the CF prepared from waste PU elastomers have shown potential to be adopted as electrodes in EDLCs

Synthesis of A-Homo Wieland-Miescher ketone: a useful building block for condensed cycloheptanoid natural Products

This article does not have an abstract

A Theoretical Study on the Phosgenation of 2,4-Toluenediamine (2,4-TDA)

Industrially relevant phosgenation mechanisms of 2,4-toluenediamine (2,4-TDA) were investigated using G3MP2B3 model chemistry. Six reaction pathways had been explored, which resulted in the formation of toluene diisocyanate (2,4-TDI) including different scenarios of the ‘phosgenations first’ and ‘consecutive phosgenations’ mechanisms in both gas and condensed phases. Two possible ‘phosgenations first’ mechanisms show superior to the others in terms of energy, regardless of which phases are considered. Due to the o-dichlorobenzene (ODCB) solvation, the reaction barriers are dramatically reduced compared to the gas-phase reaction mechanism and the solvent effect can be described by linear relationship. Standard enthalpy of formation value was also recommended for 2,4-TDA (59.3 kJ/mol) and 2,4-TDI (−94.1 kJ/mol), as well as for the gas-phase intermediates (IM)

An Ab Initio Investigation on Relevant Oligomerization Reactions of Toluene Diisocyanate (TDI)

2,4- and 2,6-isomers of toluene diisocyanates (2,4-TDI and 2,6-TDI) are important raw materials in the polyurethane industry. These reactive compounds associate even under ambient conditions to form oligomers, changing the physicochemical properties of the raw material. Kinetically and thermodynamically relevant dimerization reactions were selected based on G3MP2B3 calculations from all possible dimers of phenyl isocyanate using these isocyanates as proxies. As it turned out, only the formation of the diazetidine-2,4-dione ring (11-dimer, uretdione) resulted in a species having an exothermic enthalpy of formation (−30.4 kJ/mol at 298.15 K). The oxazetidin-2-one ring product (1-2-dimer) had a slightly endothermic standard enthalpy of formation (37.2 kJ/mol at 298.15 K). The mechanism of the relevant cyclodimerization reactions was investigated further for 2,4-TDI and 2,6-TDI species using G3MP2B3 and SMD solvent model for diazetidine as well as oxazetidin-2-one ring formation. The formation of the uretdione ring structures, from the 2,4-TDI dimer with both NCO groups in the meta position for each phenyl ring and one methyl group in the para and one in the meta position, had the lowest-lying transition state (Δ#E0 = 94.4 kJ/mol) in the gas phase. The one- and two-step mechanisms of the TDI cyclotrimerization were also studied based on the quasi-G3MP2B3 (qG3MP2B3) computational protocol. The one-step mechanism had an activation barrier as high as 149.0 kJ/mol, while the relative energies in the two-step mechanism were significantly lower for both transition states in the gas phase (94.7 and 60.5 kJ/mol) and in ODCB (87.0 and 54.0 kJ/mol)

Vapor−Liquid Equilibrium Study of the Monochlorobenzene–4,6-Dichloropyrimidine Binary System

The number of newly synthesized and produced organic chemicals has increased extremely quickly. However, the measurements of their physical properties, including their vapor−liquid equilibrium (VLE) data, are time-consuming. It so happens that there is no physical property data about a brand-new chemical. Therefore, the importance of calculating their physicochemical properties has been playing a more and more important role. 4,6-dichloropyrimidine (DCP) is also a relatively new molecule of high industrial importance with little existing data. Therefore, their measurements and the comparison with the calculated data are of paramount concern. DCP is a widespread heterocyclic moiety that is present in synthetic pharmacophores with biological activities as well as in numerous natural products. Isobaric VLE for the binary system of 4,6-dichloropyrimidine and its main solvent monochlorobenzene (MCB) was measured using a vapor condensate and liquid circulation VLE apparatus for the first time in the literature. Density functional-based VLE was calculated using the COSMO-SAC protocol to verify the laboratory results. The COSMO-SAC calculation was found to be capable of representing the VLE data with high accuracy. Adequate agreement between the experimental and calculated VLE data was acquired with a minimal deviation of 3.0 × 10−3 , which allows for broader use of the results

The use of new modified poly(acrylamide) chelating resin with pendent benzothiazole groups containing donor atoms in the removal of heavy metal ions from aqueous solutions

The adsorption studies of poly(6-(ethoxybenzothiazole acrylamide) (PEBTA), for Cu(II) and Zn(II) metal ions removal from an aqueous solution have been investigated, as a function of solution pH, adsorbent dose, contact time, initial metal ion concentration and temperature. The chemical and structural characteristics of the adsorbent were determined by the FT-IR, 1H-NMR, TGA, SEM, and EDAX analysis. The maximum adsorption capacities of the adsorbent for Cu(II) and Zn(II) ions, as calculated from the Langmuir isotherm model, were 273.5 and 216.4 mg/g, respectively. The adsorption kinetic studies show that the adsorption of Cu(II) and Zn(II) ions onto PEBTA follows the pseudo second order kinetic model. Thermodynamic parameters such as ΔG°, ΔH° and ΔS° were also evaluated, and it has been found that the adsorption process is feasible, spontaneous and exothermic in nature. Desorption studies were carried out using 0.3 N HCl, and it revealed that the adsorbed Cu(II) and Zn(II) ions can be easily removed. The adsorption–desorption process is reversible, and this indicates that PEBTA is an effective adsorbent for the removal of heavy metal ions from an aqueous medium

Computational Study of Catalytic Urethane Formation

Polyurethanes (PUs) are widely used in different applications, and thus various synthetic procedures including one or more catalysts are applied to prepare them. For PU foams, the most important catalysts are nitrogen-containing compounds. Therefore, in this work, the catalytic effect of eight different nitrogen-containing catalysts on urethane formation will be examined. The reactions of phenyl isocyanate (PhNCO) and methanol without and in the presence of catalysts have been studied and discussed using the G3MP2BHandHLYP composite method. The solvent effects have also been considered by applying the SMD implicit solvent model. A general urethane formation mechanism has been proposed without and in the presence of the studied catalysts. The proton affinities (PA) were also examined. The barrier height of the reaction significantly decreased (∆E0 > 100 kJ/mol) in the presence of the studied catalysts, which proves the important effect they have on urethane formation. The achieved results can be applied in catalyst design and development in the near future