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Modeling metalloproteins often requires classical molecular dynamics (MD) simulations in order to capture their relevant motions, which in turn necessitates reliable descriptions of the metal centers involved. One of the most successful approaches to date is provided by the "cationic dummy model", where the positive charge of the metal ion is transferred toward dummy particles that are bonded to t
Diverse organophosphate hydrolases have convergently evolved the ability to hydrolyse man-made organophosphates. Thus, these enzymes are attractive model systems for studying the factors shaping enzyme functional evolution. Methyl parathion hydrolase (MPH) is an enzyme from the metallo-β-lactamase superfamily, which hydrolyses a wide range of organophosphate, aryl ester and lactone substrates. In
This work investigates the design of beampatterns for frequency diverse arrays-multiple-input multiple-output (FDA-MIMO) in the range-angle plane, in order to improve the approximation of a desired beampattern. Recognizing that the energy radiated by the array cannot be locked at a fixed range and angle, the beampattern is designed for the equivalent beampattern at the receiving end, differing fro
Bioresorbable photonic implants are emerging as potential material choice for interstitial theranostic and monitoring applications. They gradually dissolve within the physiological environment in a clinically relevant period, eliminating the need for extraction surgeries. In the present study, we tested the suitability of in-house fabricated bioresorbable optical fibres based on calcium phosphate
Selectivity control of aniline oxidation and low reactant conversion in traditional synthesis methods are great challenges, and it is desirable to develop a green, low-cost and highly efficient catalytic route toward value-added products. Herein, an Rb-promoted Fe/CeO2 nanocatalyst was prepared to understand the effects of Rb-promoter on the catalytic performance for the selective oxidation of ani
BACKGROUND: The incidence of colorectal cancer (CRC) in individuals of fertile age is increasing. Oxaliplatin is a cornerstone treatment in the adjuvant setting for stage III and high-risk stage II CRC. Limited data exist on possible side effects of oxaliplatin on fertility and gonadal function. More data is needed to guide possible fertility preservation procedures and aid evidence-based fertilit
This article is part of the Dendritic Cell Guidelines article series, which provides a collection of state-of-the-art protocols for the preparation, phenotype analysis by flow cytometry, generation, fluorescence microscopy, and functional characterization of mouse and human dendritic cells (DC) from lymphoid organs, and various nonlymphoid tissues. Within this article, detailed protocols are prese
Therapies derived from substances of human origin (SoHOs) such as organs, cells, and tissues provide life-saving or life-changing treatment for millions of people worldwide each year. However, many people lack timely access to SoHO-based therapies because of insufficient supplies of these exceptional health resources and/or broader barriers in access to healthcare. Despite well-established governm
While research in the field of technology is surging, research on older adults playing an active role in designing and developing smart home technology (SHT) to enhance usability and adoption is lacking. It is important to co-develop products with potential users to better match their needs and desires. This study aims to generate ideas about SHT that can enhance the use and adoption of SHT that c
Varför kommer inte studenterna på undervisningen?Många lärare på LTH har frågat sig detta eftersom vi ser en tydlig negativ trend: antalet studenter som närvarar på campusförlagda föreläsningar och övningar i grundutbildningen minskar för varje år som går. Eftersom studentnärvaro länge har setts som en nyckelfaktor för studieframgång, kommer det inte som en överraskning att många inom högre utbildThe importance of attendance in higher education has for decades been stressed forstudent performance. However, student absenteeism has in recent years been a growingconcern globally – including in engineering education. Meanwhile, the educationalenvironment has been influenced by the rise of digital learning resources, acceleratedby distance education during COVID-19 pandemic. The changed behavio
Human rights defenders, social leaders, and environmental and indigenous activists fight for political, cultural, social, economic, and environmental rights and often face intimidation and violence as a consequence. In this article, we analyze how the implementation of the peace agreement signed in 2016 between the government of Colombia and the FARC-EP guerrilla group affects environment and huma
This work presents a data-driven method for learning low-dimensional time-dependent physics-based surrogate models whose predictions are endowed with uncertainty estimates. We use the operator inference approach to model reduction that poses the problem of learning low-dimensional model terms as a regression of state space data and corresponding time derivatives by minimizing the residual of reduc
Multivariate random sums appear in many scientific fields, most notably in actuarial science, where they model both the number of claims and their sizes. Unfortunately, they pose severe inferential problems. For example, their density function is analytically intractable, in the general case, thus preventing likelihood inference. In this paper, we address the problem by the method of moments, unde
SUMMARY: PopGLen is a Snakemake workflow for performing population genomic analyses within a genotype-likelihood framework, integrating steps for raw sequence processing of both historical and modern DNA, quality control, multiple filtering schemes, and population genomic analysis. Currently, the population genomic analyses included allow for estimating linkage disequilibrium, kinship, genetic div
This study is concerned with the shared object manipulation problem in a physical Human-Robot Interaction (pHRI) setting. In such setups, the operator manipulates the object with the help of a robot. In this paper, the operator is assigned with the lead role, and the robot is passively following the forces/torques exerted by the operator. We propose a controller that is free from the well-known tr
Is being informed about a nudge detrimental to its effect? This paper reports results from an experimental online study testing the effects of transparency on the effectiveness of a default nudge while accounting for psychological reactance and response time. Overall and in line with earlier studies, we find no negative effect of transparency on average behaviour. Adding to the previous discussion
The rapid integration of physical systems with cyberspace infrastructure, the so-called Internet of Things, is likely to have a significant effect on how people interact with the physical environment and design information and communication systems. Internet-connected systems are expected to vastly outnumber people on the planet in the near future, leading to grand challenges in software engineeri
