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Reaction mechanism of metalloenzymes studied by theoretical methods

Metalloenzymes are proteins that contain one or more metal ions bound to protein. They constitute about one-third of all enzymes known so far and they often perform hard chemical reactions involving small substrates, like H2 and N2. In our research, we focus on those metal ions that are located in the active sites and perform redox reactions, i.e. involving electron transfer. Why enzymes? As we kMetalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. [NiFe] hydrogenase (H2ase), dimethyl sulfoxide reductase (DMSOR) and formate dehydrogenase (FDH), by theoretical methods, namely quantum mechanics (QM), combined quantum mechanical and molecular mechanics (QM/MM), as well as QM/MM thermodynamic cycle per

Scattering approach to time-dependent charge and energy transport in mesoscopic conductors

This thesis aims to contribute to the field of time controlled charge and energy transport in mesoscopic systems. In Chapter 1, Chapter 2 and Chapter 3 a short review of the scattering matrix theory is presented, including both charge and energy transport, useful to understand the mathematical landscape used in Papers I, II, III and IV. Chapter 3 briefly presents the thermoelectric properties of m

Arbetsmiljomal-for-lunds-universitet-for-aren-2024-2027

Lägg till titel Sida 1 av 5 Rektor BESLUT Diarienummer STYR 2024/1090 Datum 2024-04-18 Arbetsmiljömål för Lunds universitet för åren 2024 – 2027 Bakgrund Lunds universitet ska vara ett universitet i världsklass som förstår, förklarar och förbättrar vår värld och människors villkor. Det förutsätter en god arbetsmiljö som är utvecklande, stimulerande, säker och trygg, vilket framgår i universitetets

https://www.medarbetarwebben.lu.se/sites/medarbetarwebben.lu.se/files/2024-04/arbetsmiljomal-for-lunds-universitet-for-aren-2024-2027.pdf - 2026-05-20

Heme Protein Biogenesis - Catalase in Enterococcus faecalis

Heme proteins form a large and diverse group of proteins which are involved in a variety of biological functions. The heme prosthetic group enables them to carry out redox reactions, transport electrons, bind gaseous molecules, and function as sensors. Despite their importance only little is generally known about heme protein biogenesis. The Gram-positive bacterium Enterococcus faecalis is found i

Is Home State Taxation a step forward for SMEs? An SME’s ability for growth and integration in the EU after the HST tax reform

Small and Medium sized Enterprises (SMEs) within the European Union are currently facing many challenges one being access to financing due to high risk and probability of default, another being cross-border taxation issues with double taxation and information asymmetry. Since the aim within the EU is to be the most competitive and dynamic knowledge-based economy in the world with sustainable econo

AI and democracy - panel discussion in Lund and online

2 juni 2026 12:10 till 13:15 | Seminarium A panel discussion in Lund and online. Topic: AI and democracyWhen: 2 June 12.10 to 13.15Where: LUX aula, Helgonavägen 3, Lund, Sverige. And online on zoomRegistrationAttend online: Sign up to attend online and/or receive the recording.Attend in-person: Sign up to join us in-person at LUX auditorium in Lund AbstractAI and digital technologies affect democr

https://www.lu.se/evenemang/ai-and-democracy-panel-discussion-lund-and-online - 2026-05-21

3D nano-tomography using coherent X-rays

X-rays allow to non-destructively investigate biological, chemical or physical processes at thenano-scale. Their high penetration depth in matter allows to investigate samples even in-side sample environments, which would be difficult with complementary methods such astransmission electron microscopy (TEM). The microscopy technique ptychography has beenestablished in X-ray imaging in recent years.X-rays allow to non-destructively investigate biological, chemical or physical processes at the nano-scale. Their high penetration depth in matter allows to investigate samples even inside sample environments, which would be difficult with complementary methods such as transmission electron microscopy (TEM). The microscopy technique ptychography has been established in X-ray imaging in recent year