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The eChem project features an e-book published as a web page (10.30746/978-91-988114-0-7), collecting a repository of Jupyter notebooks developed for the dual purpose of explaining and exploring the theory underlying computational chemistry in a highly interactive manner as well as providing a tutorial-based presentation of the complex workflows needed to simulate embedded molecular systems of rea
We present MultiPsi, an open-source MCSCF program for the calculation of ground and excited states properties of strongly correlated systems. The program currently implements a general MCSCF code with excited states available using either state-averaging or linear response. It is written in a highly modular fashion using Python/C++ which makes it well suited as a development platform, enabling eas
The unique properties of elastomeric materials are taken advantage of in many engineering applications. Elastomeric units are used as couplings or mountings between stiff structures. Examples of these are shock absorbers, vibration insulators, flexible joints, seals and suspensions.The development of computers and of analysis programs in this area has given engineers a new tool for the design of e
Toxin-antitoxin (TA) systems are a large group of small genetic modules found in prokaryotes and their mobile genetic elements. Type II TAs are encoded as bicistronic (two-gene) operons that encode two proteins: a toxin and a neutralizing antitoxin. Using our tool NetFlax (standing for Network-FlaGs for toxins and antitoxins), we have performed a large-scale bioinformatic analysis of proteinaceous
Humans, like other animals, have a tendency to preferentially learn and retain some associations more readily than others. In humans, preferential learning was originally demonstrated for certain evolutionary prepared stimuli, such as snakes and angry faces and later extended to human social out-groups based on race (Olsson et al., 2005). To address the generality of this social learning bias, we
Gender differences in achievement exhibit variation between domains and between countries. Much prior research has examined whether this variation could be due to variation in gender equality in opportunities, with mixed results. Here we focus instead on the role of a society's values about gender equality, which may have a more pervasive influence. We pooled all available country measures on adol
Purpose:The purpose of this tutorial is to describe an evidence-based scientifically sustainable perceptual assessment of cleft palate speech and how standardized assessment methods for research on cleft palate speech have been implemented in clinical practice in Sweden, which makes it possible to carry out research on clinical data.Method:This tutorial is based on a literature review and own rese
Understanding of electromagnetic propagation properties in real environments is necessary for efficient design and deployment of cellular systems. In this paper, we show a method to estimate high-resolution channel parameters with a massive antenna array in real network deployments. An antenna array mounted on a vehicle is used to receive downlink long-term evolution (LTE) reference signals from n
Opportunistic navigation using cellular signals is appealing for scenarios where other navigation technologies face challenges. In this paper, long-term evolution (LTE) downlink signals from two neighboring commercial base stations (BS) are received by a massive antenna array mounted on a passenger vehicle. Multipath component (MPC) delays and angle-of-arrival (AOA) extracted from the received sig
This paper deals with propagation and channel modeling for physically large arrays. The focus lies on acquiring a spatially consistent model, which is essential, especially for positioning and sensing applications. Ultra-wideband, synthetic array measurement data have been acquired with large positioning devices to support this research. We present a modified multipath channel model that accounts
Apotosis is an essential process tightly regulated by the Bcl-2 protein family where proapoptotic Bax triggers cell death by perforating the mitochondrial outer membrane. Although intensively studied, the molecular mechanism by which these proteins create apoptotic pores remains elusive. Here, we show that Bax creates pores by extracting lipids from outer mitochondrial membrane mimics by formation
BOADICEA is a comprehensive risk prediction model for breast and/or ovarian cancer (BC/OC) and for carrying pathogenic variants (PVs) in cancer susceptibility genes. In addition to BRCA1 and BRCA2, BOADICEA version 6 includes PALB2, CHEK2, ATM, BARD1, RAD51C and RAD51D. To validate its predictions for these genes, we conducted a retrospective study including 2033 individuals counselled at clinical
PURPOSE: To evaluate clinical practice in the diagnosis and treatment of progressive keratoconus with corneal crosslinking (CXL) in four Nordic countries.METHODS: A questionnaire was sent to all centres at which keratoconus patients are evaluated and CXL is performed in Sweden, Denmark, Norway and Iceland. Nineteen of 20 centres participated.RESULTS: CXL is performed approximately 1300 times per y
The healthy cornea is transparent, however, disease can affect its structure, rendering it more or less opaque. The ability to assess the clarity of the cornea objectively could thus be of considerable interest for keratoconus patients. It has previously been suggested that densitometry can be used to diagnose early keratoconus, and that the values of densitometry variables increase with increasin
Qdenga® has been approved by the European Medicines Agency (EMA) for individuals > 4 years of age and for use according to national recommendations. The vaccine shows high efficacy against virologically confirmed dengue and severe dengue in clinical studies on 4–16-year old's living in endemic areas. For individuals 16–60 years old only serological data exists and there is no data for individuals
