Molecular modeling has come a long way during the past decades and in the current thesis modeling of biological membranes is the focus. The main method of choice has been classical Molecular Dynamics simulations and for this technique a model Hamiltonian, or force field (FF), has been developed for lipids to be used for biological membranes. Further, ways of more accurately simulate the interactions between solutes and membranes have been investigated. A FF coined Slipids was developed and validated against a range of experimental data (Papers I-III). Several structural properties such as area per lipid, scattering form factors and NMR order parameters obtained from the simulations are in good agreement with available experimental data. Further, the compatibility of Slipids with amino acid FFs was proven. This, together with the wide range of lipids that can be studied, makes Slipids an ideal candidate for large-scale studies of biologically relevant systems. A solute's electron distribution is changed as it is transferred from water to a bilayer, a phenomena that cannot be fully captured with fixed-charge FFs.  In Paper IV we propose a scheme of implicitly including these effects with fixed-charge FFs in order to more realistically model water-membrane partitioning. The results are in good agreement with experiments in terms of free energies and further the differences between using this scheme and the more traditional approach were highlighted. The free energy landscape (FEL) of solutes embedded in a model membrane is explored in Paper V. This was done using biased sampling methods with a reaction coordinate that included intramolecular degrees of freedom (DoF). These DoFs were identified in different bulk liquids and then used in studies with bilayers. The FELs describe the conformational changes necessary for the system to follow the lowest free energy path. Besides this, the pitfalls of using a one-dimensional reaction coordinate are highlighted.

By examining Gandhi as a political organiser it may be possible to bridge the gap between two interpretations of his importance -- one which focuses on his propagation of nonviolence "as a way of life", the other- which treats him as a pioneer in the use of nonviolence "as a conflict technique. " Gandhi named his philosophy and his method of action, "satyagraha". Between 1915 and 1922 he emerged as the organiser of local satyagraha campaigns in Bihar and Gujarat. He moved quickly, however, to leadership of further struggles at a national level, in particular the hoxlatt Satyagraha in 1919 and Noncooperation eighteen months later. The thesis explores, through a series of case studies, how Gandhi developed his methods as he moved over a period of about five years from local to national scale. At the national level, Gandhi failed to take India by storm as he had hoped through organisations founded by himself to propagate his principles like the Satyagraha Sabha and the Swadeshi Sabha. He therefore forged alliances with political figures from other perspectives within the Khilafat movement and the Indian Rational Congress who nonetheless were prepared to follow his direction. A principal means which Gandhi developed for generating solidarity between the nation's educated "classes" and the "masses" and for mobilising people short of civil disobedience, was the promotion of campaigns of constructive work. This is particularly clear in his planning and leadership of the Noncooperation movement. Presentation of nonviolent action in the West, by overstressing the "conflict" aspect of satyagraha and neglecting the "constructive", has been one-sided. The importance in Gandhi's method as an organiser of a concept of constructive programme and its application in practice suggests that advocates of nonviolent action as a technique should look more closely at the balance between the two aspects in his approach. The thesis concludes with a review'of the rules and stages in Gandhi's satyagraha campaigns which have been proposed in the work of Joan Bondurant.

Recently, single equation approaches for estimating structural models have become popular in the monetary economics literature. In particular, single-equation Generalized Method Moments estimators have been used for estimating forward-looking models with rational expectations. Two important examples are found in Clarida, Gali, and Gertler (1998) for the estimation of forward- looking Taylor rules and in Gali and Gertler (1999) for the estimation of a forward-looking model for inflation dynamics. In this thesis, we address the issues of identification which have been overlooked due to the incompleteness of the single-equation formulations. We provide extensions to existing results on the properties of GMM estimators and inference under weak identification, pertaining to situations in which only functions of the parameters of interest are identified, and structural residuals exhibit negative autocorrelation. We also characterize the power of the Hansen test to detect mis specification, and address the issues arising from using too many irrelevant instruments as well as from general corrections for residual autocorrelation, beyond what is implied by the maintained model. In general, we show that the non-modelled variables cannot be weakly exogenous for the parameters of interest, and that they are informative about the identification and mis-specification of the model. Modelling the reduced form helps identify pathological situations in which the structural parameters are weakly identified and the GMM estimators are inconsistent and biased in the direction of OLS.We also ¯nd the OLS bias to be increasing in the number of over-identifying instruments, even when the latter are irrelevant, thus demonstrating the dangers of using too many potentially irrelevant instruments. Finally, with regards to the "New Phillips curve", we conclude that, for the US economy, this model is either un-identified or mis-specified, casting doubts on its utility as a model of in°ation dynamics.

Syftet med denna tvärsnittsstudie var att undersöka, det som i studien benämns, själslig intelligens, hos chefer och ledare i näringslivet samt att validera instrument för vad som i studien benämns ledarintelligens med fokus på själslig intelligens. Studien utvärderade den själsliga intelligensen hos chefer och ledare samt om det var någon nivåskillnad på den själsliga intelligensen hos kvinnor och män. I studien användes en enkät där deltagarna fick svara på påståenden kring själslig, emotionell och rationell intelligens. Studien validerade två skalor för själslig intelligens utifrån ett kanadensiskt instrument, SISRI (The Spiritual Intelligence Self-Report Inventory), en skala för själslig intelligens, (SQ), som ingick i ett svenskt instrument, LIQ (Leadership Intelligence Questionnaire), samt en ny skala för själslig intelligens, NySQ. Det var 90 chefer och ledare i Västra Götalands näringsliv, 37 kvinnor och 53 män som besvarade enkäten, medelåldern var 47 år. Enkätsvaren analyserades med hjälp av kvantitativa metoder. Studien validerade Ronthys skala för själslig intelligens som visade på positiva signifikanta samband med två skalor som är framtagna med avsikt att de ska mäta liknande begrepp. Resultaten visade att kvinnor hade en högre nivå av själslig intelligens än män samt att chefer och ledare med hög nivå av själslig intelligens även hade hög nivå av rationell intelligens. Resultaten kastade nytt ljus över förmågor som i vår tid kanske inte har värderats tillräckligt i organisationer eller diskuterats i formella sammanhang. / The aim of this cross-sectional study was to investigate, what in this study is defined as, spiritual intelligence in managers and leaders in private companies, and to validate instruments that measure, as the study defines as, leadership intelligence with a focus on spiritual intelligence. The study evaluated the spiritual intelligence of managers and leaders, and if there was differences in the level of spiritual intelligence between women and men. The study used a questionnaire in which participants were asked to answer questions about spiritual, emotional and rational intelligence. The study validated two scales of spiritual intelligence based on the Canadian instrument, SISRI (The Spiritual Intelligence Self-Report Inventory), one scale for spiritual intelligence, (SQ), which was part of a Swedish instrument, LIQ (Leadership Intelligence Questionnaire), and a new scale for the spiritual intelligence, NySQ. 90 managers and leaders in Västra Götaland, 37 women and 53 men, responded to the survey, the average age was 47 years. The survey responses were analyzed using quantitative methods. The study validated Ronthy´s scale of spiritual intelligence that showed a positive significant correlation with two scales that are designed to measure similar concepts. The results showed that women had a higher level of spiritual intelligence than men, and that managers and leaders with a high level of spiritual intelligence also had a high level of rational intelligence. The results shed new lights on abilities that might not have been valued enough in organizations or discussed in formal contexts.

Sexual violence in armed conflict is not a new phenomenon. Although it has a long history, it's only in recent years from 1990 that is has been given more attention in science and media. I will in my thesis look at the conflicts of former Yugoslavia and Congo (DRC) and I will use two theories to investigate how the use of conflict-related sexual violence best can be explained. The two theoretical frameworks I have chosen are Feminist theory and Rational Choice theory. The conflicts will be at the center of analysis. My aim is to create an awareness of the problem with sexual violence in war and conflict. Feminist theory claims that environment and upbringing are important factors for the creation of gender. Gender is a social and cultural construct. Rational Choice argues that human beings are rational and make decisions that promote self-interest and minimize their own losses. My conclusion is that the social and cultural constructions which, among other things, created a patriarchal society for a long time in both conflicts. Along with traditional family values, this is a strong reason that sexual violence against women occurred during the conflicts. Another reason is the fighting for resources where sexual violence became a means to an end.

I denna avhandling presenteras arbete utfört med enzymet humant karboanhydras II (HCAII). Enzymer är en typ av proteiner som accelererar (katalyserar) kemiska reaktioner, vilket är nödvändigt för allt levande. Den naturliga funktionen för HCAII är att katalysera omvandlingen av gasen koldioxid till vätekarbonat, som är löslig i vätska. Detta är viktigt bl.a. för att koldioxid som bildas i kroppen, och fraktas i blodet i form av vätekarbonat, skall hinna över till utandningsluften under den korta tid blodet är i lungorna. Proteiner består av aminosyror som länkats samman i en lång kedja, där varje aminosyra är en av de 20 naturliga aminosyratyperna. Ett proteins struktur och egenskaper bestäms av aminosyrasekvensen, som i sin tur bestäms av genen för just det proteinet. Med genteknik kan ett proteins gen ändras (muteras), så att aminosyrasekvensen ändras, och det har här utnyttjats för att förändra HCAIIs katalytiska egenskaper. Förutom dess naturliga funktion kan HCAII även klyva (hydrolysera) vissa estrar. Mutationer gjordes så att en ’ficka’ i HCAIIs struktur, där molekylerna (substraten) som skall klyvas binder, fick en större volym. På så sätt skapades varianter med en kraftigt ökad kapacitet för att hydrolysera långa estersubstrat jämfört med icke-muterat HCAII. Som en utveckling av detta projekt skapades en mutant av HCAII, som kan hydrolysera ett än mer skrymmande substrat. I ett annat projekt har en ny katalytisk aktivitet skapats i HCAII, som inte utnyttjar enzymets naturliga katalytiska förmåga. Ett nytt estersubstrat konstruerades, med en del som binder kraftigt till HCAII, så att en stark substratbindning erhölls. Sedan muterades vissa aminosyror till en reaktiv aminosyra som heter histidin. Valet av positioner för mutation baserades på en datormodell av enzymet med bundet substrat. Eftersom histidin kan delta i hydrolysreaktioner, får det muterade enzymet möjlighet att klyva substratet. Flera olika mutanter testades, och den effektivaste innehöll ett nära kopplat par av histidiner. Denna mutant undersöktes mer noggrannt, vilket gav viss information om den katalytiska mekanismen. Det långsiktiga målet med detta arbete är att konstruera muterade enzymer som kan klyva giftiga ämnen, eller användas vid framställning av kemikalier. Det finns behov av nya enzymer för olika typer av substrat, och att med rationella metoder skapa nya katalytiska aktiviteter i proteiner är ett svårt vetenskapligt problem som ännu är i ett tidigt utvecklingsskede. / The main part of this thesis describes results from protein engineering experiments, in which the catalytic activity of the enzyme human carbonic anhydrase II (HCAII) is engineered by mutagenesis. This enzyme, which catalyzes the interconversion between CO2 and HCO3- in the body, also has the ability to hydrolyze ester bonds. In one project, the specificity of HCAII towards a panel of para-nitrophenyl ester substrates, with acyl chain lengths ranging from one to five carbon atoms, was changed by enlarging the substrate binding hydrophobic pocket. A variant was identified that has highly increased specificity towards substrates with long acyl chains. The mutant V121A/V143A hydrolyzes pNPV, which has four carbon atoms in the acyl chain, with an efficiency that is increased by a factor of 3000 compared to HCAII. Further, transition state analogues (TSAs) were docked to HCAII and mutant variants, and the results were correlated to the results from kinetic measurements. This indicated that automated docking could be used to some extent to construct HCAII variants with a designed specificity. Using this approach, a HCAII mutant that can hydrolyze a model benzoate ester was created. Interestingly, the resulting variant V121A/V143A/T200A was found to be highly active with other ester substrates as well. For pNPA, a kcat/KM of 1*105 M-1s-1 was achieved, which is the highest efficiency for hydrolysis of carboxylic acid esters reported for any HCAII variant. In another project, the strong affinity between the active site zinc ion and sulfonamide was used to achieve binding of a designed substrate. Thus, the natural Zn-OH- site of HCAII was not used for catalysis, but for substrate binding. The substrate contains a benzenesulfonamide part in one end, with a para-nitrophenyl ester connected via a linker. The linker was chosen to ensure that the scissile bond is positioned close to His-64 and histidine residues introduced by mutagenesis in other positions. Using this approach, an enzyme was designed with a distinctly new two-histidine catalytic site for ester hydrolysis. The mutant, F131H/V135H, has a kcat/KM of approximately 14000 M-1s-1, which corresponds to a rate enhancement of 107 compared to a histidine mimic. Finally, results are reported on a project aimed at cloning and producing a putative carbonic anhydrase from the malaria parasite Plasmodium falciparum. The gene was cloned by PCR and the construct was overexpressed in E. coli. However, the resulting protein was not soluble, and initial attempts to refold it are also reported.

This thesis explores and implements techniques for frequency domain modelling and time domain simulation of overhead transmission lines. The popular Vector Fitting algorithm is employed to approximate the frequency domain model using rational functions, and the recursive convolution technique is applied to the rational approximation to generate a time domain form. The frequency domain model is translated into the time domain using delay extraction, modal decomposition, passivity enforcement, and rational approximation. Several approaches to each of these procedures are investigated. The thesis also discusses several choices for the integration method used within the recursive convolution procedure. In order to make the transmission line modeller and simulator easy to use, a Java-based library and partial graphical interface were developed. Specifically, the goal was to develop a platform-independent program that can run either stand-alone or as an applet inside a web page.

This study engaged fourth and fifth graders in solving a set of proportional tasks with focused discussion and concept development by the teacher. In order to understand the students’ ability to generalize the concept, they were asked to write problems that reflected the underlying concepts in the tasks and lessons. A qualitative analysis of the student generated problems show that the majority of the students were able to generalize the concepts. The analysis allowed for a discussion of problems solving approaches and a rich description of how students applied multiplicative reasoning in composing mathematics problems. These results are couched in a discussion of how the students solved the proportional reasoning tasks.

This thesis reports on a longitudinal study of students’ understanding of decimal notation. Over 3000 students, from a volunteer sample of 12 schools in Victoria, Australia, completed nearly 10000 tests over a 4-year period. The number of tests completed by individual students varied from 1 to 7 and the average inter-test time was 8 months. The diagnostic test used in this study, (Decimal Comparison Test), was created by extending and refining tests in the literature to identify students with one of 12 misconceptions about decimal notation. (For complete abstract open document)

Diss. Uppsala : Uppsala universitet, 2007.