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Ligands usually bind to proteins by displacing water from the binding site. The affinity and kinetics of binding therefore depend on the hydration characteristics of the site. Here, we show that the extreme case of a completely dehydrated free binding site is realized for the large nonpolar binding cavity in bovine beta-lactoglobulin. Because spatially delocalized water molecules may escape detect
The copper coordination geometry in the blue copper proteins plastocyanin, nitrite reductase, cucumber basic protein, and azurin has been studied by combined density functional (B3LYP) and molecular mechanical methods. Compared to quantum chemical vacuum calculations, a significant improvement of the geometry is seen (toward the experimental structures) not only for the dihedral angles of the liga
The birth, growth and maturity of industries, sectors and technologies have spurred the curiosity of researchers as well as managers and policy makers for a long time. Intriguingly, the emergence of a new industry is a complex process including many different actors and with a high level of uncertainty related to technology, institutions and markets facing the actors involved. Empirically this b
This Masters’ Thesis aimed to explore the possibilities that the new generation of portable hardware called wearables presents us with. More powerful and smaller devices with a wide array of sensors and cameras are not only becoming possible, but available at prices that are affordable to the average consumer in the first world. But as powerful as modern day technology is, things such as advanced
Processing information in complex everyday life recruites different abilities than limited storage capacity. Working memory, the central executive and inhibition are constructs that have been used to describe this ability of adaptation. This paper investigates the connection between working memory capacity and performances in tasks closely associated to real life situations, i. e. verbal fluency t
Fuel cells are promising for future energy systems, because they are energy efficient and able to use renewable fuels. A fully coupled computational fluid dynamics (CFD) approach based on the finite element method (with the software COMSOL Multiphysics) in two-dimensions is developed to describe an intermediate temperature solid oxide fuel cell (SOFC) single cell. Governing equations covering heat
Ribonucleotide reductases (RNRs) catalyze all new production in nature of deoxyribonucleotides for DNA synthesis by reducing the corresponding ribonucleotides. The reaction involves the action of a radical that is produced differently for different classes of the enzyme. Class I enzymes, which are present in eukaryotes and microorganisms, use an iron center to produce a stable tyrosyl radical that
Ammonia (NH3) has attracted significant attention as a promising hydrogen carrier and a carbon-free alternative fuel. Partial dissociation could convert part of ammonia to H2 and N2 before injecting the fuel into a combustor, thus overcoming the low reactivity and high NOx emission problems during the NH3 combustion. The pre-dissociated NH3 + air mixture has unburnt species NH3, H2, O2, and N2, th
During the last three years Biofuel-Solution, a privately held Swedish entity, has developed an IP-portfolio around gas-phase glycerol conversion into medium-value chemicals. The targeted chemicals have large to very large markets, to allow for use by more than a fraction of the glycerol available today without impacting the cost of the product. The reason behind is that glycerol is a by-product f
Background: Long-distance migration has evolved multiple times in different animal taxa. For insect migrants, the complete annual migration cycle covering several thousand kilometres, may be performed by several generations, each migrating part of the distance and reproducing. Different life-cycle stages and preferred orientation may thus, be found along the migration route. For migrating red admi
Solar energy is a renewable energy source which in the long term is important to develop because the usage does not effect the environment in a negative way. Increased energy exchange and cheaper production costs for solar collectors and solar cells are main factors in making the solar energy commercially successful in the future. Small scale solar collector systems are most common today because t
In this work, a derivation and implementation of the relativistic time-dependent configuration-interaction singles (RTDCIS) method is presented. Various observables for krypton and xenon atoms obtained by RTDCIS are compared with experimental data and alternative relativistic calculations. This includes energies of occupied orbitals in the Dirac-Fock ground state, Rydberg state energies, Fano reso
The photoactivity of rutile TiO2(110) renders its surfaces of particular interest for the study of surface reactions. In particular, rutile TiO2(110) surfaces are active for hydrogen production, both via the water splitting process and via ethanol degradation under ultraviolet illumination. The selective photocatalytic dehydrogenation of rutile TiO2(110) is not fully understood yet, and an importa
Microsoft Word - Dokument3 Welcome to the Pufendorf’s Autumn 2012 series on Consumption, Environment, and the Generation Goal The Politics of the Generational Goals Friday, October 5, 14:15 - 15 at the Pufendorf Institute, Biskopsgatan 3 Seminar leader: Åsa Knaggård, Political Science The theme of this seminar is the Swedish generational goals for the environment. Many of the goals are very hard t
https://www.pi.lu.se/sites/pi.lu.se/files/generational_goal_2012-13_program_actvities.pdf - 2026-07-22
Process diagnosis is essential to ensure anaerobic fermentation stable and efficient. Here, a novel sensor system combining microbial fuel cell (MFC), gas flow meter and pH meter was developed to evaluate its feasibility for probing the anaerobic process established on a model high-rate bioreactor. Repeated transient responses of electrical signal, proton concentration, and gas flow rate, were obs
Popular Abstract in Swedish Riksdagen har beslutat att Sveriges energisystem ska ställas om. Målet är ett ekologiskt uthålligt samhälle där staten verkar för en säker, effektiv och miljövänlig tillförsel och användning av energi. Detta görs bland annat genom att stödja forskning om förnybara energikällor. Biogasen är här ett av flera möjliga alternativ och har också utnämnts till det mest miljöanpThe utilisation of energy in the form of biogas is one of the environmentally sound alternatives available using renewable energy sources. Biogas is formed by anaerobic degradation of organic material, the main consistuent being energy-rich methane. There is a large unused potential of organic waste that is suitable for biogas production and the anaerobic digestion process has the potential of bec
Popular Abstract in Swedish Protontransport är en fundamental process som finns i många naturliga system, liksom i många tekniska applikationer, såsom bränsleceller, smarta fönster och olika typer av sensorer. Bränslecellsteknologi anses vara miljövänlig eftersom bränsleceller inte begränsas av Carnot-cykeln och omvandlar effektivt kemisk energi till elektrisk energi som sedan kan användas till atProton transport is a fundamental process that can be found in many systems in nature, as well as in technical devices, such as fuel cells, electrochromic devices and various types of sensors. Fuel cell technology is considered as environmentally friendly because fuel cells are not limited by the Carnot cycle, and efficiently converts chemical energy into electrical energy which can be used for po
