Numerical analysis of the relation between interactions and structure in a molecular fluid

Coarse graining is a popular technique used in physics to speed up the computer simulation of molecular fluids. An essential part of this technique is a method that solves the inverse problem of determining the interaction potential or its parameters from the given structural data. Due to discrepancies between model and reality, the potential is not unique, such that stability of such method and its convergence to a meaningful solution are issues.rnrnIn this work, we investigate empirically whether coarse graining can be improved by applying the theory of inverse problems from applied mathematics. In particular, we use the singular value analysis to reveal the weak interaction parameters, that have a negligible influence on the structure of the fluid and which cause non-uniqueness of the solution. Further, we apply a regularizing Levenberg-Marquardt method, which is stable against the mentioned discrepancies. Then, we compare it to the existing physical methods - the Iterative Boltzmann Inversion and the Inverse Monte Carlo method, which are fast and well adapted to the problem, but sometimes have convergence problems.rnrnFrom analysis of the Iterative Boltzmann Inversion, we elaborate a meaningful approximation of the structure and use it to derive a modification of the Levenberg-Marquardt method. We engage the latter for reconstruction of the interaction parameters from experimental data for liquid argon and nitrogen. We show that the modified method is stable, convergent and fast. Further, the singular value analysis of the structure and its approximation allows to determine the crucial interaction parameters, that is, to simplify the modeling of interactions. Therefore, our results build a rigorous bridge between the inverse problem from physics and the powerful solution tools from mathematics. rn

Induction of cytochrome P450 enzymes in primary equine hepatocyte culture

In this study, we established cell culture conditions for primary equine hepatocytes allowing cytochrome P450 enzyme (CYP) induction experiments. Hepatocytes were isolated after a modified method of Bakala et al. (2003) and cultivated on collagen I coated plates. Three different media were compared for their influence on morphology, viability and CYP activity of the hepatocytes. CYP activity was evaluated with the fluorescent substrate 7-benzyloxy-4-trifluoromethylcoumarin. Induction experiments were carried out with rifampicin, dexamethasone or phenobarbital. Concentration-response curves for induction with rifampicin were created. Williams' medium E showed the best results on morphology and viability of the hepatocytes and was therefore used for the following induction experiments. Cells cultured in Dulbecco's Modified Eagle Medium were not inducible. Incubation with rifampicin increased the CYP activity in two different hepatocyte preparations in a dose dependent manner (EC50=1.20 μM and 6.06 μM; Emax=4.1- and 3.4-fold induction). No increase in CYP activity was detected after incubation with dexamethasone or phenobarbital. The hepatocyte culture conditions established in this study proved to be valuable for investigation of the induction of equine CYPs. In further studies, other equine drugs can be evaluated for CYP induction with this in vitro system.

Gene transfer by viral vectors

To initiate our clinical trial for chemotherapy protection, I established the retroviral vector system for human MDR1 cDNA gene transfer. The human MDR1 cDNA continued to be expressed in the transduced bone marrow cells after four cohorts of serial transplants, 17 months after the initial transduction and transplant. In addition, we used this retroviral vector pVMDR1 to transduce human bone marrow and peripheral blood CD34$\sp+$ cells on stromal monolayer in the presence of hematopoietic growth factors. These data suggest that the retroviral vector pVMDR1 could modify hematopoietic precursor cells with a capacity for long-term self renewal. Thus, it may be possible to use the MDR1 retroviruses to confer chemotherapeutic protection on human normal hematopoietic precursor cells of ovarian and breast cancer patients in whom high doses of MDR drugs may be required to control the diseases.^ Another promising vector system is recombinant adeno-associated virus (rAAV) vector. An impediment to use rAAV vectors is that production of rAAV vectors for clinical use is extremely cumbersome and labor intensive. First I set up the rAAV vector system in our laboratory and then, I focused on studies related to the production of rAAV vectors for clinical use. By using a self-inactivating retroviral vector carrying a selection marker under the control of the CMV immediate early promoter and an AAV genome with the deletion of both ITRs, I have developed either a transient or a stable method to produce rAAV vectors. These methods involve infection only and can generate high-titer rAAV vectors (up to 2 x 10$\sp5$ cfu/ml of CVL) with much less work.^ Although recombinant adenoviral vectors hardly infect early hematopoietic precursor cells lacking $\alpha\sb v\beta\sb5$ or $\alpha\sb v\beta\sb3$ integrin on their surface, but efficiently infect other cells, we can use these properties of adenoviral vectors for bone marrow purging as well as for development of new viral vectors such as pseudotyped retroviral vectors and rAAV vectors. Replacement of self-inactivating retroviral vectors by recombinant adenoviral vectors will facilitate the above strategies for production of new viral vectors. In order to accomplish these goals, I developed a new method which is much more efficient than the current methods to construct adenoviral vectors. This method involves a cosmid vector system which is utilized to construct the full-length recombinant adenoviral vectors in vitro.^ First, I developed an efficient and flexible method for in vitro construction of the full-length recombinant adenoviral vectors in the cosmid vector system by use of a three-DNA fragment ligation. Then, this system was improved by use of a two-DNA fragment ligation. The cloning capacity of recombinant adenoviral vectors constructed by this method to develop recombinant adenoviral vectors depends on the efficiency of transfection only. No homologous recombination is required for development of infectious adenoviral vectors. Thus, the efficiency of generating the recombinant adenoviral vectors by the cosmid method reported here was much higher than that by the in vitro direct ligation method or the in vivo homologous recombination method reported before. This method of the in vitro construction of recombinant adenoviral vectors in the cosmid vector system may facilitate the development of adenoviral vector for human gene therapy. (Abstract shortened by UMI.) ^

Computed Ultrasound Tomography in Echo mode (CUTE) of speed of sound for diagnosis and for aberration correction in pulse-echo sonography

Sound speed as a diagnostic marker for various diseases of human tissue has been of interest for a while. Up to now, mostly transmission ultrasound computed tomography (UCT) was able to detect spatially resolved sound speed, and its promise as a diagnostic tool has been demonstrated. However, UCT is limited to acoustically transparent samples such as the breast. We present a novel technique where spatially resolved detection of sound speed can be achieved using conventional pulse-echo equipment in reflection mode. For this purpose, pulse-echo images are acquired under various transmit beam directions and a two-dimensional map of the sound speed is reconstructed from the changing phase of local echoes using a direct reconstruction method. Phantom results demonstrate that a high spatial resolution (1 mm) and contrast (0.5 % of average sound speed) can be achieved suitable for diagnostic purposes. In comparison to previous reflection-mode based methods, CUTE works also in a situation with only diffuse echoes, and its direct reconstruction algorithm enables real-time application. This makes it suitable as an addition to conventional clinical ultrasound where it has the potential to benefit diagnosis in a multimodal approach. In addition, knowledge of the spatial distribution of sound speed allows full aberration correction and thus improved spatial resolution and contrast of conventional B-mode ultrasound. © (2014) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

Determinación del color de aceites de oliva vírgenes (Mendoza-Argentina)

El color es un criterio básico en la evaluación de la calidad del aceite de oliva virgen y constituye una cualidad fundamental en el análisis sensorial. Este nuevo parámetro de calidad del aceite de oliva virgen puede verse afectado por la variedad y el grado de madurez de la aceituna, la zona de producción, el proceso de obtención y la conservación. Debido a la importancia que actualmente tiene la tipificación de los alimentos (por ejemplo en las denominaciones de origen), surge la necesidad de conocer el color del aceite de oliva virgen. Para su determinación se utilizaron dos métodos analíticos: la escala ABT modificada (Azul de Bromotimol) y el colorímetro HunterLab. Los resultados muestran que el cociente a/b constituye un parámetro adecuado para comparar y clasificar aceites de oliva vírgenes y brinda una mayor información en la comercialización de este producto.

Estimation of the normal boiling point of organic compounds via group contributions

The normal boiling point is a fundamental thermo-physical property, which is important in describing the transition between the vapor and liquid phases. Reliable method which can predict it is of great importance, especially for compounds where there are no experimental data available. In this work, an improved group contribution method, which is second order method, for determination of the normal boiling point of organic compounds based on the Joback functional first order groups with some changes and added some other functional groups was developed by using experimental data for 632 organic components. It could distinguish most of structural isomerism and stereoisomerism, which including the structural, cis- and trans- isomers of organic compounds. First and second order contributions for hydrocarbons and hydrocarbon derivatives containing carbon, hydrogen, oxygen, nitrogen, sulfur, fluorine, chlorine and bromine atoms, are given. The fminsearch mathematical approach from MATLAB software is used in this study to select an optimal collection of functional groups (65 functional groups) and subsequently to develop the model. This is a direct search method that uses the simplex search method of Lagarias et al. The results of the new method are compared to the several currently used methods and are shown to be far more accurate and reliable. The average absolute deviation of normal boiling point predictions for 632 organic compounds is 4.4350 K; and the average absolute relative deviation is 1.1047 %, which is of adequate accuracy for many practical applications.

Ice thickness distribution and glacier bed of Hallstätter Gletscher

Hallstätter Glacier is the northernmost glacier of Austria. Appendant to the northern Limestone Alps, the glacier is located at 47°28'50'' N, 13°36'50'' E in the Dachstein-region. At the same time with its advance linked to the Little Ice Age (LIA), research on changes in size and mass of Hallstätter glacier was started in 1842 by Friedrich Simony. He observed and documented the glacier retreat related to its last maximum extension in 1856. In addition, Hallstätter Glacier is a subject to scientific research to date. In this thesis methods and results of ongoing mass balance measurements are presented and compared to long term volume changes and meteorological observations. The current mass balance monitoring programm using the direct glaciological method was started 2006. In this context, 2009 the ice thickness was measured with ground penetrating radar. The result are used with digital elevation models reconstucted from historical maps and recent digital elevation models to calculate changes in shape and volume of Hallstätter Glacier. Based on current meteorological measurements near the glacier and longtime homogenized climate data provided by HISTALP, time series of precipitation and temperature beginning at the LIA are produced. These monthly precipitation and monthly mean temperature data are used to compare results of a simple degree day model with the volume change calculated from the difference of the digital elevation models. The two years of direct mass balance measurements are used to calibrate the degree day model. A number of possible future scenarios are produced to indicate prospective changes. Within the 150-year-period between 1856 and 2007 the Hallstätter Glacier lost 1940 meters of its length and 2.23 km**2 in area. 37% of the initial volume of 1856 remained. This retreat came along with a change in climate. The application of a running avarage of 30 years shows an increase in precipitation of 18.5% and a warming of 1.3°C near the glacier between 1866 and 1993. The mass loss was continued in the hydrological years 2006/2007 and 2007/2008 showing mean specific mass balance of -376 mm and -700 mm, respectively. Applying a temperature correction for the different minimum elevations of the glacier, the degree day approach based on the two measured mass balances can reproduce sign and order of magnitude of the volume change of Hallstätter Glacier since 1856. Nevertheless, the relative deviation is significant. Future scenarios show, that 30% of the entire glacier volume remains after subtracting the elevation changes between the digital elevation models of 2002 and 2007 ten times from the surface of 2007. The past and present mass changes of Hallstätter Glacier are showing a retreating glacier as a consequence of rising temperatures. Due to high precepitation, increased with previous warming, the Hallstätter Glacier can and will exist in lower elevation compared to inner alpine glaciers.

Comparison of dynamic effects of high-speed traffic load on ballasted track using a simplified two-dimensional and full three-dimensional model.

The vertical dynamic actions transmitted by railway vehicles to the ballasted track infrastructure is evaluated taking into account models with different degree of detail. In particular, we have studied this matter from a two-dimensional (2D) finite element model to a fully coupled three-dimensional (3D) multi-body finite element model. The vehicle and track are coupled via a non-linear Hertz contact mechanism. The method of Lagrange multipliers is used for the contact constraint enforcement between wheel and rail. Distributed elevation irregularities are generated based on power spectral density (PSD) distributions which are taken into account for the interaction. The numerical simulations are performed in the time domain, using a direct integration method for solving the transient problem due to the contact nonlinearities. The results obtained include contact forces, forces transmitted to the infrastructure (sleeper) by railpads and envelopes of relevant results for several track irregularities and speed ranges. The main contribution of this work is to identify and discuss coincidences and differences between discrete 2D models and continuum 3D models, as wheel as assessing the validity of evaluating the dynamic loading on the track with simplified 2D models

Design and development of compact optical systems = Diseño y desarrollo de sistemas ópticos compactos

Esta tesis considera dos tipos de aplicaciones del diseño óptico: óptica formadora de imagen por un lado, y óptica anidólica (nonimaging) o no formadora de imagen, por otro. Las ópticas formadoras de imagen tienen como objetivo la obtención de imágenes de puntos del objeto en el plano de la imagen. Por su parte, la óptica anidólica, surgida del desarrollo de aplicaciones de concentración e iluminación, se centra en la transferencia de energía en forma de luz de forma eficiente. En general, son preferibles los diseños ópticos que den como resultado sistemas compactos, para ambos tipos de ópticas (formadora de imagen y anidólica). En el caso de los sistemas anidólicos, una óptica compacta permite tener costes de producción reducidos. Hay dos razones: (1) una óptica compacta presenta volúmenes reducidos, lo que significa que se necesita menos material para la producción en masa; (2) una óptica compacta es pequeña y ligera, lo que ahorra costes en el transporte. Para los sistemas ópticos de formación de imagen, además de las ventajas anteriores, una óptica compacta aumenta la portabilidad de los dispositivos, que es una gran ventaja en tecnologías de visualización portátiles, tales como cascos de realidad virtual (HMD del inglés Head Mounted Display). Esta tesis se centra por tanto en nuevos enfoques de diseño de sistemas ópticos compactos para aplicaciones tanto de formación de imagen, como anidólicas. Los colimadores son uno de los diseños clásicos dentro la óptica anidólica, y se pueden utilizar en aplicaciones fotovoltaicas y de iluminación. Hay varios enfoques a la hora de diseñar estos colimadores. Los diseños convencionales tienen una relación de aspecto mayor que 0.5. Con el fin de reducir la altura del colimador manteniendo el área de iluminación, esta tesis presenta un diseño de un colimador multicanal. En óptica formadora de imagen, las superficies asféricas y las superficies sin simetría de revolución (o freeform) son de gran utilidad de cara al control de las aberraciones de la imagen y para reducir el número y tamaño de los elementos ópticos. Debido al rápido desarrollo de sistemas de computación digital, los trazados de rayos se pueden realizar de forma rápida y sencilla para evaluar el rendimiento del sistema óptico analizado. Esto ha llevado a los diseños ópticos modernos a ser generados mediante el uso de diferentes técnicas de optimización multi-paramétricas. Estas técnicas requieren un buen diseño inicial como punto de partida para el diseño final, que será obtenido tras un proceso de optimización. Este proceso precisa un método de diseño directo para superficies asféricas y freeform que den como resultado un diseño cercano al óptimo. Un método de diseño basado en ecuaciones diferenciales se presenta en esta tesis para obtener un diseño óptico formado por una superficie freeform y dos superficies asféricas. Esta tesis consta de cinco capítulos. En Capítulo 1, se presentan los conceptos básicos de la óptica formadora de imagen y de la óptica anidólica, y se introducen las técnicas clásicas del diseño de las mismas. El Capítulo 2 describe el diseño de un colimador ultra-compacto. La relación de aspecto ultra-baja de este colimador se logra mediante el uso de una estructura multicanal. Se presentará su procedimiento de diseño, así como un prototipo fabricado y la caracterización del mismo. El Capítulo 3 describe los conceptos principales de la optimización de los sistemas ópticos: función de mérito y método de mínimos cuadrados amortiguados. La importancia de un buen punto de partida se demuestra mediante la presentación de un mismo ejemplo visto a través de diferentes enfoques de diseño. El método de las ecuaciones diferenciales se presenta como una herramienta ideal para obtener un buen punto de partida para la solución final. Además, diferentes técnicas de interpolación y representación de superficies asféricas y freeform se presentan para el procedimiento de optimización. El Capítulo 4 describe la aplicación del método de las ecuaciones diferenciales para un diseño de un sistema óptico de una sola superficie freeform. Algunos conceptos básicos de geometría diferencial son presentados para una mejor comprensión de la derivación de las ecuaciones diferenciales parciales. También se presenta un procedimiento de solución numérica. La condición inicial está elegida como un grado de libertad adicional para controlar la superficie donde se forma la imagen. Basado en este enfoque, un diseño anastigmático se puede obtener fácilmente y se utiliza como punto de partida para un ejemplo de diseño de un HMD con una única superficie reflectante. Después de la optimización, dicho diseño muestra mejor rendimiento. El Capítulo 5 describe el método de las ecuaciones diferenciales ampliado para diseños de dos superficies asféricas. Para diseños ópticos de una superficie, ni la superficie de imagen ni la correspondencia entre puntos del objeto y la imagen pueden ser prescritas. Con esta superficie adicional, la superficie de la imagen se puede prescribir. Esto conduce a un conjunto de tres ecuaciones diferenciales ordinarias implícitas. La solución numérica se puede obtener a través de cualquier software de cálculo numérico. Dicho procedimiento también se explica en este capítulo. Este método de diseño da como resultado una lente anastigmática, que se comparará con una lente aplanática. El diseño anastigmático converge mucho más rápido en la optimización y la solución final muestra un mejor rendimiento. ABSTRACT We will consider optical design from two points of view: imaging optics and nonimaging optics. Imaging optics focuses on the imaging of the points of the object. Nonimaging optics arose from the development of concentrators and illuminators, focuses on the transfer of light energy, and has wide applications in illumination and concentration photovoltaics. In general, compact optical systems are necessary for both imaging and nonimaging designs. For nonimaging optical systems, compact optics use to be important for reducing cost. The reasons are twofold: (1) compact optics is small in volume, which means less material is needed for mass-production; (2) compact optics is small in size and light in weight, which saves cost in transportation. For imaging optical systems, in addition to the above advantages, compact optics increases portability of devices as well, which contributes a lot to wearable display technologies such as Head Mounted Displays (HMD). This thesis presents novel design approaches of compact optical systems for both imaging and nonimaging applications. Collimator is a typical application of nonimaging optics in illumination, and can be used in concentration photovoltaics as well due to the reciprocity of light. There are several approaches for collimator designs. In general, all of these approaches have an aperture diameter to collimator height not greater than 2. In order to reduce the height of the collimator while maintaining the illumination area, a multichannel design is presented in this thesis. In imaging optics, aspheric and freeform surfaces are useful in controlling image aberrations and reducing the number and size of optical elements. Due to the rapid development of digital computing systems, ray tracing can be easily performed to evaluate the performance of optical system. This has led to the modern optical designs created by using different multi-parametric optimization techniques. These techniques require a good initial design to be a starting point so that the final design after optimization procedure can reach the optimum solution. This requires a direct design method for aspheric and freeform surface close to the optimum. A differential equation based design method is presented in this thesis to obtain single freeform and double aspheric surfaces. The thesis comprises of five chapters. In Chapter 1, basic concepts of imaging and nonimaging optics are presented and typical design techniques are introduced. Readers can obtain an understanding for the following chapters. Chapter 2 describes the design of ultra-compact collimator. The ultra-low aspect ratio of this collimator is achieved by using a multichannel structure. Its design procedure is presented together with a prototype and its evaluation. The ultra-compactness of the device has been approved. Chapter 3 describes the main concepts of optimizing optical systems: merit function and Damped Least-Squares method. The importance of a good starting point is demonstrated by presenting an example through different design approaches. The differential equation method is introduced as an ideal tool to obtain a good starting point for the final solution. Additionally, different interpolation and representation techniques for aspheric and freeform surface are presented for optimization procedure. Chapter 4 describes the application of differential equation method in the design of single freeform surface optical system. Basic concepts of differential geometry are presented for understanding the derivation of partial differential equations. A numerical solution procedure is also presented. The initial condition is chosen as an additional freedom to control the image surface. Based on this approach, anastigmatic designs can be readily obtained and is used as starting point for a single reflective surface HMD design example. After optimization, the evaluation shows better MTF. Chapter 5 describes the differential equation method extended to double aspheric surface designs. For single optical surface designs, neither image surface nor the mapping from object to image can be prescribed. With one more surface added, the image surface can be prescribed. This leads to a set of three implicit ordinary differential equations. Numerical solution can be obtained by MATLAB and its procedure is also explained. An anastigmatic lens is derived from this design method and compared with an aplanatic lens. The anastigmatic design converges much faster in optimization and the final solution shows better performance.

A general assay for antibody catalysis using acridone as a fluorescent tag.

A simple and highly sensitive catalysis assay is demonstrated based on analyzing reactions with acridonetagged compounds by thin-layer chromatography. As little as 1 pmol of product is readily visualized by its blue fluorescence under UV illumination and identified by its retention factor (Rf). Each assay requires only 10 microliters of solution. The method is reliable, inexpensive, versatile, and immediately applicable in repetitive format for screening catalytic antibody libraries. Three examples are presented: (i) the epoxidation of acridone labeled (S)-citronellol. The pair of stereoisomeric epoxides formed is resolved on the plate, which provides a direct selection method for enantioselective epoxidation catalysts. (ii) Oxidation of acridone-labeled 1-hexanol to 1-hexanal. The activity of horse liver alcohol dehydrogenase is detected. (iii) Indirect product labeling of released aldehyde groups by hydrazone formation with an acridone-labeled hydrazide. Activity of catalytic antibodies for hydrolysis of enol ethers is detected.

Quantitative measurement of intraorganelle pH in the endosomal-lysosomal pathway in neurons by using ratiometric imaging with pyranine.

Organelle acidification is an essential element of the endosomal-lysosomal pathway, but our understanding of the mechanisms underlying progression through this pathway has been hindered by the absence of adequate methods for quantifying intraorganelle pH. To address this problem in neurons, we developed a direct quantitative method for accurately determining the pH of endocytic organelles in live cells. In this report, we demonstrate that the ratiometric fluorescent pH indicator 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS) is the most advantageous available probe for such pH measurements. To measure intraorganelle pH, cells were labeled by endocytic uptake of HPTS, the ratio of fluorescence emission intensities at excitation wavelengths of 450 nm and 405 nm (F450/405) was calculated for each organelle, and ratios were converted to pH values by using standard curves for F450/405 vs. pH. Proper calibration is critical for accurate measurement of pH values: standard curves generated in vitro yielded artifactually low organelle pH values. Calibration was unaffected by the use of culture medium buffered with various buffers or different cell types. By using this technique, we show that both acidic and neutral endocytically derived organelles exist in the axons of sympathetic neurons in different steady-state proportions than in the cell body. Furthermore, we demonstrate that these axonal organelles have a bimodal pH distribution, indicating a rapid acidification step in their maturation that reduces the average pH of a fraction of the organelles by 2 pH units while leaving few organelles of intermediate pH at steady state. Finally, we demonstrate a spatial gradient or organelle pH along axons, with the relative frequency of acidic organelles increasing with proximity to the cell body.

Análise teórica-experimental de perfis de aço formados a frio devido à instabilidade por distorção na flexão

Apresenta-se neste trabalho um estudo teórico-experimental sobre a instabilidade de perfis formados a frio submetidos à flexão. A instabilidade distorcional se faz comum na presença de tensões de compressão atuando sobre perfis enrijecidos e fabricados com aços de elevada resistência mecânica. A parte teórica abrange os métodos de cálculo analíticos e numéricos para a análise de instabilidade distorcional de perfis de seção aberta formados a frio. Na parte experimental inclui-se o estudo de perfis formados a frio com seções do tipo U enrijecidos submetidos aos ensaios à flexão. Nestes ensaios variou-se a altura de alma e espessura de chapa procurando-se abranger maior número de condições geométricas para análise da estabilidade distorcional. Inclui-se também a análise de instabilidade numérica dos perfis do programa experimental através do método de resistência direta via método das faixas finitas. Com base nos resultados experimentais, numéricos e na análise teórica do problema, verificou-se o procedimento adotado pela NBR14762/2001 e efetuou-se comparação entre curvas de resistência propostas para o dimensionamento de perfis formados a frio à flexão. Foi verificado que o fenômeno de instabilidade distorcional pode ser o estado limite último crítico para o dimensionamento dos perfis formados a frio.

Estimation of water retention curve from mercury intrusion porosimetry and van Genuchten model

The water retention curve (WRC) is a hydraulic characteristic of concrete required for advanced modeling of water (and thus solute) transport in variably saturated, heterogeneous concrete. Unfortunately, determination by a direct experimental method (for example, measuring equilibrium moisture levels of large samples stored in constant humidity cells) is a lengthy process, taking over 2 years for large samples. A surrogate approach is presented in which the WRC is conveniently estimated from mercury intrusion porosimetry (MIP) and validated by water sorption isotherms: The well-known Barrett, Joyner and Halenda (BJH) method of estimating the pore size distribution (PSD) from the water sorption isotherm is shown to complement the PSD derived from conventional MIP. This provides a basis for predicting the complete WRC from MIP data alone. The van Genuchten equation is used to model the combined water sorption and MIP results. It is a convenient tool for describing water retention characteristics over the full moisture content range. The van Genuchten parameter estimation based solely on MIP is shown to give a satisfactory approximation to the WRC, with a simple restriction on one. of the parameters.

Multifocal intraocular lens differentiation using defocus curves

Purpose: To determine the most appropriate analysis technique for the differentiation of multifocal intraocular lens (MIOL) designs using defocus curve assessment of visual capability.Methods:Four groups of fifteen subjects were implanted bilaterally with either monofocal intraocular lenses, refractive MIOLs, diffractive MIOLs, or a combination of refractive and diffractive MIOLs. Defocus curves between -5.0D and +1.5D were evaluated using an absolute and relative depth-of-focus method, the direct comparison method and a new 'Area-of-focus' metric. The results were correlated with a subjective perception of near and intermediate vision. Results:Neither depth-of-focus method of analysis were sensitive enough to differentiate between MIOL groups (p>0.05). The direct comparison method indicated that the refractive MIOL group performed better at +1.00, -1.00 and -1.50 D and worse at -3.00, -3.50, -4.00 and -5.00D compared to the diffractive MIOL group (p

Global optimisation of cold-formed steel sections

In this thesis, standard algorithms are used to carry out the optimisation of cold-formed steel purlins such as zed, channel and sigma sections, which are assumed to be simply supported and subjected to a gravity load. For zed, channel and sigma section, the local buckling, distortional buckling and lateral-torsional buckling are considered respectively herein. Currently, the local buckling is based on the BS 5950-5:1998 and EN 1993-1-3:2006. The distortional buckling is calculated by the direct strength method employing the elastic distortional buckling which is calculated by three available approaches such as Hancock (1995), Schafer and Pekoz (1998), Yu (2005). In the optimisation program, the lateral-torsional buckling based on BS 5950-5:1998, AISI and analytical model of Li (2004) are investigated. For the optimisation program, the programming codes are written for optimisation of channel, zed and sigma beam. The full study has been coded into a computer-based analysis program (MATLAB).