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[NiFe] hydrogenases catalyse the reversible conversion of molecular hydrogen to protons and electrons. This seemingly simple reaction has attracted much attention because of the prospective use of H2 as a clean fuel. In this paper, we have studied how H2 binds to the active site of this enzyme. Combined quantum mechanical and molecular mechanics (QM/MM) optimisation was performed to obtain the geo
Energy is essential for the sustenance of life. The energy and economy of any nation are interlinked—energy demand is generally proportional to the economic growth of the nation. In the present era, renewable energy (RE) is the primary area of interest to save fossil fuels, achieve sustainability, and reducing carbon emissions, as well as other gases in the atmosphere that create climatic problems
Carbon storage dynamics in vegetation and soil are determined by the balance of carbon influx and turnover. Estimates of these opposing fluxes differ markedly among different empirical datasets and models leading to uncertainty and divergent trends. To trace the origin of such discrepancies through time and across major biomes and climatic regions, we used a model-data fusion framework. The framew
This case study investigates the potentials, greenhouse gas (GHG), and energy performance of forest residue biofuels produced by new and emerging production technologies, which are commercially implemented in Sweden for heavy transport. The biofuel options included are ethanol (ED 95), hydro-processed vegetable oil (HVO), and liquefied biogas (LBG) produced from logging residues in forestry and sa
Effects of pilot H2 injection on the thermoacoustic instability of premixed CH4/air flames were experimentally investigated with varied hydrogen injection rates and different injection strategies. The flames were stabilized on a swirl burner with a central pilot-fuel injection tube. The flame structure was captured using high-speed OH* chemiluminescence and OH-PLIF methods, while the CO and NOx em
[NiFe] hydrogenases catalyze the reversible conversion of molecular hydrogen to protons and electrons. This seemingly simple reaction has attracted much attention because of the prospective use of H2 as a clean fuel. In this paper, we have studied the full reaction mechanism of this enzyme with various computational methods. Geometries were obtained with combined quantum mechanical and molecular m
selected photographs Dreams and creativity was the topic for the third category. Dreams can be individual and collective and shared by a whole generation, and they are often shaped by socio-economic realities of different times and places. Cities can be sites of dreams for migrants who move there but their dreams might not be fulfilled. Cities are also often seen as creative places as they attract
https://www.ace.lu.se/dreams-and-creativity - 2026-07-23
MINICOR The research of the MINICOR project is arranged in six work packages (WP) outlined below. WP1 - Pyrolysis The activities aim to optimize biomass pyrolysis for the production of biooil for the MILD combustion/reforming process and biochar for nitrogen adsorption. The research to achieve this includes:Assessment of the residual biomass sources to feed the pyrolysis process.Experimental studi
https://www.combustionphysics.lu.se/minicor/work-packages - 2026-07-23
A ternary Mg2COH5 hydride was synthesized using a novel method that relies on a relatively short mechanical milling time (1 h) of a 2:1 MgH2-Co powder mixture followed by sintering at a sufficiently high hydrogen pressure (>85 bar) and heating from RT to 500 degrees C. The ternary hydride forms in less than 2.5 h (including the milling time) with a yield of similar to 90% at similar to 300 degrees
Uranium atoms activate methane upon ultraviolet excitation to form the methyl uranium hydride CH3-UH, which undergoes alpha-H transfer to produce uranium methylidene dihydride, CH2UH2. This rearrangement most likely occurs on an excited-quintet potential-energy surface and is followed by relaxation in the argon matrix. These simple U + CH4 reaction products are identified through isotopic substitu
Stabilisation of electrochemically deposited Prussian blue (PB) films on glassy carbon (GC) electrodes has been investigated and an enhancement in the stability of the PB films is reported if the electrodes are treated with tetrabutyl ammonium toluene-4-sulfonate (TTS) in the electrochemical activation step following the electrodeposition. A multi-enzyme PB based biosensor for sucrose detection wa
To develop highly efficient molecular photocatalysts for visible light-driven hydrogen production, a thorough understanding of the photophysical and chemical processes in the photocatalyst is of vital importance. In this context, in situ X-ray absorption spectroscopic (XAS) investigations show that the nature of the catalytically active metal center in a (N boolean AND N)MCl2 (M=Pd or Pt) coordina
The accumulated experience and path-dependent development of petroleum-based transport fuels and internal combustion engine vehicles has created an apparent technological lock-in. Our analysis of a RApid Future vehicles and Fuels scenario (RAFF) for the EU shows that ambitious carbon emission reductions can be achieved even with projected increases in road transport. Furthermore, escaping the lock
Caldicellulosiruptor owensensis strain OLT (DSM 13100) is an obligately anaerobic, extreme thermophilic bacterium that is capable of utilizing a broad range of carbohydrates and producing H2 as a metabolic by-product. The performance of C. owensensis on glucose and xylose was analyzed in lab-scale bioreactors to assess its potential use in biohydrogen production. Acetate, H2, and CO2 were the main
Heme oxygenase is an enzyme that degrades heme, thereby recycling iron in most organisms, including humans. Pervious density functional theory (DFT) calculations have suggested that iron(III) hydroxyheme, an intermediate generated in the first step of heme degradation by heme oxygenase, is converted to iron(III) superoxo oxophlorin in the presence of dioxygen. In this article, we have studied the
Background: Current EU directives demand increased use of renewable fuels in the transportation sector but restrict governmental support for production of biofuels produced from crops. The use of intercropped lucerne and wheat may comply with the directives. In the current study, the combination of ensiled lucerne (Medicago sativa L.) and wheat straw as substrate for hydrogen and methane productio
Popular Abstract in Swedish Synkrotronstrålning genereras när laddade partiklar som färdas med relativistiska hastigheter böjs av i ett magnetfält. Under accelerationen som böjningen utgör genereras synkrotronstrålning i en smal kon i partikelns framåtriktning. Denna fotonstrålning är intensiv och utgör en användbar prob inom materialforskningen. Genom att belysa material med synkrotronstrålningenWithin research, synchrotron radiation is a highly useful probe for the study of materials, their properties and structures. Currently, no other radiation source allows the combination of high intensity and short wavelengths. The 3rd generation light sources currently in use for the production of synchrotron radiation are however considerable investments: for already existing facilities this makes
Both straight and curved carbon fibers are widely used in various commercial gas diffusion layer (GDL) fabrications. The effect of the different carbon fiber curvatures on two-phase flow dynamics within the cathode GDLs of proton exchange membrane fuel cells remains unclear. In this study, we investigate liquid transport in three types of GDLs with varying fiber curvatures using the two-phase volu
Maximizing ultrafast electron-transfer kinetics in semiconductor is pivotal but challenging for high-efficiency solar-to-energy during the photocatalytic reaction process due to the intrinsic property of photocatalysts with low surface electron density. Herein, a model photocatalyst CdS@Mo is synthesized through a typical hydrothermal method for modulating the ultrafast electron-transfer to enhanc
