Entwicklung von Berechnungsmodellen für Enzymreaktoren (Teil 1)

It has been developed a model for a continuous working enzyme-reactor to determine the deviation of temperature and concentration in axial and radial direction. It's based on Partial Differential Equations for mass and enthalpy transfer. The model regards the specialities of kinetics of enzyme-catalytic processes with respect to the reaction rate. A difference method had been choosen which provided applicable results with respect to characteristic quantities of the substance under corresponding initial and boundary conditions. Some pictures show the deviation of temperature and concentration.     

A force field for naproxen

A united-atom potential model for naproxen suitable for molecular dynamics (MD) simulation has been developed. The charge distribution is approximated by point charges obtained from ab initio calculations using the CHELPG method. Also the intramolecular interactions such as bond and angle vibration, and the torsion potential are obtained from ab initio calculations. The dispersive interaction contribution is taken from the literature. By MD simulation using a naproxen film in slap geometry, the temperature dependence of the density, surface tension and self-diffusion coefficient as well as the melting temperature for the developed potential model are obtained.     

Computer simulation of temperature autostabilization: an analysis of the phenomenon

A mathematical model of the temperature autostabilization by microorganism populations in batch and continuous operation has been developed. It adequately describes the process of temperature autostabilization by Candida tropicalis yeast microorganisms on H-alkanes. The model analysis has permitted determination of the conditions for the existence of the phenomenon and an explanation of its basic factors, such as linear biomass growth and dependence of microorganisms growth velocity on heat transfer through reactor walls. The industrial application of this interesting phenomenon is discussed. Correspondence to: M. Kristapsons     

A preliminary empirical model for studying plant productivity based on measurement of CO2 assimilation

Abstract

A preliminary model for estimating plant production on the basis of CO₂ absorption has been developed according to empirical equations defined by fitting data obtained by a portable IRGA. The model has been tested for four forage species in a grassland for which the productivity was estimated by a rotation-mowing method.     

The Use of RP-HPLC for measuring activation and cleavage of rFVIIa during purification

A reverse phase HPLC (RP-HPLC) method for analysis of recombinant factor VIIa (rFVIIa) has been developed. The method discriminates between different forms of recombinant FVII (rFVII). To obtain separation of these closely related molecules the method has been optimized with respect to gradient profile and temperature. The method has been used for optimization of purification processes and for kinetic studies. EVidence for autolytic cleavage was obtained. (c) 1995 John Wiley & Sons, Inc.     

Development of insects under fluctuating temperature: a review and case study

The relationship between temperature and the developmental rate of organisms is crucial for understanding a variety of biological processes. It is common to use an average‐based index of temperature, for example degree‐days, for examining the relationship; and relatively little attention has been given to the variance of temperature. In this study, we examined the importance of temperature fluctuation on the development of organisms by compiling published studies. Published studies have shown highly variable results where the developmental rate was sometimes higher and sometimes lower under static temperature compared with variable temperature. A laboratory experiment on Megaselia scalaris showed that M. scalaris developed faster under fluctuating temperature than static temperature. We tested an additive model to predict the effect of fluctuating temperature on development and found that the model was inadequate for making quantitative predictions. However, some qualitative predictions, for example temperature fluctuation has a positive or negative effect, can be successfully predicted by the additive model. Our results show that the effect of temperature on developmental rate is not completely additive and average‐based indices such as degree‐days cannot be used when quantitative predictions are required.     

Confidence interval of intrinsic optimum temperature estimated using thermodynamic SSI model

The intrinsic optimum temperature for the development of ectotherms is one of the most important factors not only for their physiological processes but also for ecological and evolutional processes. The Sharpe–Schoolfield–Ikemoto (SSI) model succeeded in defining the temperature that can thermodynamically meet the condition that at a particular temperature the probability of an active enzyme reaching its maximum activity is realized. Previously, an algorithm was developed by Ikemoto (Tropical malaria does not mean hot environments. Journal of Medical Entomology, 45, 963–969) to estimate model parameters, but that program was computationally very time consuming. Now, investigators can use the SSI model more easily because a full automatic computer program was designed by Shi et al. (A modified program for estimating the parameters of the SSI model. Environmental Entomology, 40, 462–469). However, the statistical significance of the point estimate of the intrinsic optimum temperature for each ectotherm has not yet been determined. Here, we provided a new method for calculating the confidence interval of the estimated intrinsic optimum temperature by modifying the approximate bootstrap confidence intervals method. For this purpose, it was necessary to develop a new program for a faster estimation of the parameters in the SSI model, which we have also done.     

Numerical study to establish relationship between coagulation volume and target tip temperature during temperature-controlled radiofrequency ablation

The present study aims at proposing a relationship between the coagulation volume and the target tip temperature in different tissues (viz., liver, lung, kidney, and breast) during temperature-controlled radiofrequency ablation (RFA). A 20-min RFA has been modelled using commercially available monopolar multi-tine electrode subjected to different target tip temperatures that varied from 70°C to 100°C with an increment of 10°C. A closed-loop feedback proportional-integral-derivative (PID) controller has been employed within the finite element model to perform temperature-controlled RFA. The coagulation necrosis has been attained by solving the coupled electric field distribution, the Pennes bioheat and the first-order Arrhenius rate equations within the three-dimensional finite element model of different tissues. The computational study considers temperature-dependent electrical and thermal conductivities along with the non-linear piecewise model of blood perfusion. The comparison between coagulation volume obtained from the numerical and in vitro experimental studies has been done to evaluate the aptness of the numerical models. In the present study, a total of 20 numerical simulations have been performed along with 12 experiments on tissue-mimicking phantom gel using RFA device. The study revealed a strong dependence of the coagulation volume on the pre-set target tip temperature and ablation time during RFA application. Further, the effect of target tip temperature on the applied input voltage has been studied in different tissues. Based on the results attained from the numerical study, statistical correlations between the coagulation volume and treatment time have been developed at different target tip temperatures for each tissue.     

耕作的数值模型及其应用

种子发芽与出苗主要受土壤水分与温度的影响。在研究非均质土壤起伏不平的地表与大气间水分能量交换过程的数值分析方法的基础上,发展了耕作对土壤水分与温度影响的基于有限元分析方法的数值模型。作为应用研究,讨论了不同的耕作方式如镇压,少耕与沟种垄作对土壤水分、温度的影响,并介绍了模型用于陕北的沟种设计。本项研究为农业生态学提供了一种基于模型－模拟－优化的定量分析方法。     

Numerical investigation of thermal response of laser-irradiated biological tissue phantoms embedded with gold nanoshells

The work presented in this paper focuses on numerically investigating the thermal response of gold nanoshells-embedded biological tissue phantoms with potential applications into photo-thermal therapy wherein the interest is in destroying the cancerous cells with minimum damage to the surrounding healthy cells. The tissue phantom has been irradiated with a pico-second laser. Radiative transfer equation (RTE) has been employed to model the light-tissue interaction using discrete ordinate method (DOM). For determining the temperature distribution inside the tissue phantom, the RTE has been solved in combination with a generalized non-Fourier heat conduction model namely the dual phase lag bio-heat transfer model. The numerical code comprising the coupled RTE-bio-heat transfer equation, developed as a part of the current work, has been benchmarked against the experimental as well as the numerical results available in the literature. It has been demonstrated that the temperature of the optical inhomogeneity inside the biological tissue phantom embedded with gold nanoshells is relatively higher than that of the baseline case (no nanoshells) for the same laser power and operation time. The study clearly underlines the impact of nanoshell concentration and its size on the thermal response of the biological tissue sample. The comparative study concerned with the size and concentration of nanoshells showed that 60 nm nanoshells with concentration of 5×10¹⁵ mm⁻³ result into the temperature levels that are optimum for the irreversible destruction of cancer infected cells in the context of photo-thermal therapy. To the best of the knowledge of the authors, the present study is one of the first attempts to quantify the influence of gold nanoshells on the temperature distributions inside the biological tissue phantoms upon laser irradiation using the dual phase lag heat conduction model.     

Modelling relation of first shoot emergence in various tree species to meteorological parameters in Slovenia

The relation of first shoot emergence in various tree species (birch, beech, oak and spruce) to meteorological parameters was studied on the basis of phenological and meteorological observations at five locations in Slovenia during 1967–1986. A physical model was developed using tree branch temperature obtained by the energy balance equation. The gained linear dependence of first shoot emergence on effective tree branch temperature was compared with the results obtained by multiple regression analysis among first shoot emergence, effective temperature, global radiation, wind velocity and precipitation. A new method was developed to define the proper biological temperature threshold which was used for effective temperature calculations. Results of the physical model and of the multiple regression analysis are statistically significant and give similar correlations between first shoot emergence and meteorological parameters.     

Equations of heat distribution within the body

A vector integral equation describing heat distribution within the body has been derived. The factors considered are heat conduction, forced convection via the circulatory system, environmental exchange, metabolic heat production, and change in heat content. The vector partial differential equation and alternative forms incorporating boundary conditions were also developed. A difference equation based on a first-order approximation to the fundamental equations was derived to form the basis of a model for heat distribution within the body. It has been shown that factors involving conduction and convection must be considered independently unless the temperature of the blood flowing from a region of the body is equal to the average temperature of the tissue in that region. If this relation between tissue and blood temperature does exist, only a single temperature from each eleeent is needed to describe the heat distribution. In this latter case, models which ascribe all heat transfer to “equivalent” conduction or to convection can give valid predictions.     

A three-dimensional general circulation model of the surface layers of Lake Baikal

A three-dimensional general circulation model has been developed to investigate mixing processes in Lake Baikal, Siberia. Emphasis is placed on the 4–5-month period when the lake is completely ice-covered, a time of particular importance to the re-population of the lake by diatoms. The model represents the top 250 m and includes a new mixing scheme developed specifically for the investigation of under-ice flows. The effects of spatial patterns of snow and ice transparency on circulation and temperature are investigated. In general, temperature profiles provide an indication of the extent and depth of mixing and are highly sensitive to the presence of snow and to the transparency of ice. Generated profiles agree well with in situ measurements, which are difficult to obtain during this period. The model is shown to be particularly successful in simulating mixing processes in Lake Baikal. The surface heat fluxes that are required for a model of this type were estimated using satellite data, which provide complete coverage of the lake within one image. An increase in albedo values of 20% has no significant impact on the development of the temperature profile. Finally, density driven currents generated in the model were investigated. The magnitudes of the model currents compared to observations suggest that the background flow under ice in the lake may be density driven.     

Noninvasive Method for Simultaneously Measuring the Thermophysical Properties and Blood Perfusion in Cylindrically Shaped Living Tissues

An easy-to-use noninvasive method was developed to simultaneously measure the thermophysical parameters and blood perfusion in cylindrically shaped living tissues. This method is based on a two-dimensional mathematical model which requires temperature measurements at only three separate points along the axial direction on the cylinder surface. A sensitivity analysis has shown that the key thermophysical parameters, such as the thermal conductivity, volumetric heat capacity, and blood perfusion can be estimated simultaneously with high accuracy. Genetic algorithm (GA) selection, crossover, and mutation operators were developed to solve this multi-parameter optimization problem. This three-point method was validated by measuring the properties of a dynamic tissue-equivalent phantom with known thermal parameters. The method has also been applied to measure the thermophysical parameters and blood perfusion in human forearms with measured results agreeing well with the literature values.     

The design of a diagnostic test system based on magnetic sorbents and liposomes

The results obtained in the study of the possibility of using magnetic sorbents for the construction of a diagnostic assay system based on the antigen-antibody interaction are presented. As a model, Yersinia pestis capsular antigen and immunoglobulins to it have been used. A solid-phase immunofluorescent liposomal assay method has been developed; this method can be used for the detection of biopolymers in the sample under study and for the determination of their activity.     

Numerical analysis of dynamic temperature in response to different levels of reactive hyperaemia in a three-dimensional image-based hand model

Vascular reactivity (VR) is considered as an effective index to predict the risk of cardiovascular events. A cost-effective alternative technique used to evaluate VR called digital thermal monitoring (DTM) is based on the response of finger temperature to vessel occlusion and reperfusion. In this work, a simulation has been developed to investigate hand temperature in response to vessel occlusion and perfusion. The simulation consists of image-based mesh generation and finite element analysis of blood flow and heat transfer in tissues. In order to reconstruct a real geometric model of human hand, a computer programme including automatic image processing for sequential MR data and mesh generation based on the transfinite interpolation method is developed. In the finite element analysis part, blood flow perfused in solid tissues is considered as fluid phase through porous media. Heat transfer in tissues is described by Pennes bioheat equation and blood perfusion rate is obtained from Darcy velocities. Capillary pressure, blood perfusion and temperature distribution of hand are obtained. The results reveal that fingertip temperature is strongly dependent on larger arterial pressure. This simulation is of potential to quantify the indices used for evaluating the VR in DTM test if it is integrated with the haemodynamic model of blood circulation in upper limb.     

Adaptation of molecular genetic methods to study microorganisms associated with fish

A modern molecular genetic method has been adapted to study microorganisms associated with fish. A procedure for total DNA isolation from various organs and tissues of fish has been developed. Besides fish freshly caught, frozen and salted specimens were used. A bacterial PCR product was shown to amplify with highly conservative primers at an annealing temperature of 70–72°C from fish gills, liver, intestine, and skin.     

Time to turbidity measurement as a tool for modeling spoilage byLactobacillus

Summary A method has been proposed to obtain growth rate estimates from simple time-to-visible-growth measurements by means of inoculum variation. In case the data are censored an algorithm using a maximum likelihood estimation method is given. Growth rates forLactobacillus plantarum obtained by this method have been used to develop a model for the prediction of the growth rate as a function of temperature and pH. The model was validated by plate counts. It can be applied in a pH range of 3.2 to 8 and a temperature range of 6 to 21 °C.Mention of brand or firm names does not constitute an endorsement by the US Department of Agriculture over others of a similar nature not mentioned.