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A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes

We have recently developed a method based on relativistic time-dependent density functional theory (TD-DFT) that allows the calculation of electronic spectra in solution (Creutzberg, Hedegård, J. Chem. Theory Comput.18, 2022, 3671). This method treats the solvent explicitly with a classical, polarizable embedding (PE) description. Furthermore, it employs the complex polarization propagator (CPP) f

Symptom Management and Support in Dying Patients with Cancer and Coronavirus Disease-19—A Register-Based Study

Objective: Little is known to what extent access to specialist palliative care (SPC) for cancer patients dying with coronavirus disease-2019 (COVID-19) affects the occurrence of breakthrough symptoms, symptom relief, and overall care, compared to hospital deaths. Our aim was to include patients with both COVID-19 and cancer and compare those dying in hospitals with those dying in SPC with referenc

Comparing α-Synuclein Fibrils Formed in the Absence and Presence of a Model Lipid Membrane : A Small and Wide-Angle X-Ray Scattering Study

Amyloid fibrils are associated with a number of different neurodegenerative diseases. Detailed knowledge of the fibril structure will be of importance in the search of therapy and may guide experiments to understand amyloid formation. In this paper we investigate the morphology of α-synuclein amyloid fibrils, associated with Parkinson’s disease, formed under different conditions. In particular, we

On Hydraulic Constraints in Control of District Heating Systems

District heating systems make an important puzzle piece in the energy system of both today and tomorrow. When designing, simulating and controlling these systems, hydraulics play a vital role. The pressure generated by pumps has to drive sufficient flow throughout the system to satisfy the requirements of customers. Ensuring that the system is sufficiently pressurized is a challenging task already

“Humanities 2000” : Legitimizing Discourses of the Humanities in Public Debate and Research Policy at the Turn of the Century

This chapter analyzes the legitimizing discourse of the humanities in two different public debates in Sweden at the end of the twentieth century and at the beginning of the twenty-first century. The first debate concerned the marginalized role of the humanities and their relation to the broader public, while the second was strongly influenced by current research policies, which had a strong focus