Publications by authors named "L Hellmann"

Background: The German status report on climate change and health 2023 identifies numerous health risks that are caused or exacerbated by climate change. One recommendation arising from the report is to strengthen education, information, and communication in the field. This article aims to serve as a basis for this.

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Density fitting techniques that use automatically generated auxiliary basis sets generally rely on the formation of basis function products. Recently, Lehtola [ 2021, 17, 6886-6900] presented a procedure making use of a purely spherical representation by adding auxiliary basis functions coupled to the required angular momentum quantum numbers for the product of spherical harmonics and then removing linear dependencies by means of a Cholesky decomposition. In this work, we extend this idea by making use of the explicit equations for the product of two spherical harmonics in the angular part of the basis function product.

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Difficulties in obtaining and maintaining the desired level of the critical quality attributes (CQAs) of therapeutic proteins as well as the pace of the development are major challenges of current biopharmaceutical development. Therapeutic proteins, both innovative and biosimilars, are mostly glycosylated. Glycans directly influence the stability, potency, plasma half-life, immunogenicity, and effector functions of the therapeutic.

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Range-separated hybrid functionals making use of a smooth separation of the Coulomb operator in terms of the error function and its complement have proven to be a valuable tool for improving Kohn-Sham density functional theory (DFT) calculations. This holds in particular for obtaining accurate excitation energies from linear-response time-dependent DFT. Evaluating the long-range exchange contributions represents one of the most time-consuming tasks in such calculations.

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In recent years, several environmental pollutants have been monitored in surface waters and sediments. However, few studies apply multivariate statistics to identify the main components and correlate them temporally and spatially. In this sense, the present study sought to monitor the quality of water and sediments in the Rio Marrecas/Brazil, through the analysis of physicochemical parameters and trace elements, as well as to identifying sources of contamination, using multivariate statistics.

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