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The catalytic activity of the binuclear glyoxalase II (GlxII) enzyme is closely linked to the type and charge of metal ions in its active site. Using hybrid quantum mechanics/molecular mechanics (QM/MM) calculations, we investigated the reaction mechanism of human GlxII, which features two Zn(ii) ions in its active site. By systematically replacing these Zn(ii) ions with Fe(ii), Fe(iii), or Co(ii)
A series of molecular alloys of 1,2,4,5-tetrabromobenzene and 1,2,4,5-tetrachlorobenzene with varying compositions were prepared in an attempt to obtain jumping crystals with adjustable temperature of thermosalient phase transition. Molecular alloys were studied with a combination of thermal and structural techniques (DSC, SCXRD, XRPD, hot-stage microscopy). Alloys with a high 1,2,4,5-tetrabromobe
Ambient pressure X-ray photoelectron spectroscopy (APXPS) combined with the dip-and-pull method can be used for operando studies of electrochemical systems. A complete coupling between the spectroscopic and the electrochemical measurements is generally challenging due to an inherent difference between the meniscus and the bulk electrolyte - the mass transport. This work investigates meniscus mass
Despite their ecological and economic importance as key regulators of insect populations worldwide, eulophid wasps remain one of the taxonomically most neglected groups of insects. As these minute parasitoid wasps exhibit an astonishing species diversity while being challenging to identify, relying on morphological characters alone has long been problematic. By using large-scale barcoding and mole
Across the world, human (anthropophonic) sounds add to sounds of biological (biophonic) and geophysical (geophonic) origin, with human contributions including both speech and technophony (sounds of technological devices). To characterize society’s contribution to the global soundscapes, we used passive acoustic recorders at 139 sites across 6 continents, sampling both urban green spaces and nearby
This article aims to present and develop methodological tools and analytical insights for the empirical study of Islamic Public Administration (PA). To achieve this, it reviews some of the most common theoretical and analytical approaches in ethnography and socio-legal studies and highlights their relevance and contributions to research on Islamic PA. Specifically, it demonstrates how to (a) condu
Objectives Longitudinal health monitoring studies including Para athletes are lacking in low- and middle-income countries (LMICs). This study aimed to introduce a surveillance programme developed for Swedish Para athletes to high-level South African Para athletes and describe their self-reported health outcomes.Design Using a prospective cohort design, we distributed weekly electronic surveys to P
Understanding the microclimate in a given site influences the preconditions of sustainable development in many ways. Cold and strong winds in the winter will, for example, intensify the energy use in buildings depending on the air tightness of the building enclosure (Bagge et al., 2011), and in areas close to the seafront strong salty winds may also increase the wear and tear on building materials
This study examines the influence of environmental concerns on water conservation behaviors among Gen Z tourists in Iranian desert regions by extending the Norm Activation Theory (NAT). Adopting a quantitative approach, data were collected through a structured questionnaire from 330 Gen Z tourists (born between 1997 and 2012) who visited four Iranian desert villages (Qale Bala, Mesr, Abyaneh, and
Background: Every fifth patient undergoing left pancreatectomy develops a postoperative pancreatic fistula (POPF). Accurate POPF risk prediction could help. Two independent preoperative prediction models have been developed and externally validated: DISPAIR and D-FRS. The aim of this study was to validate, compare, and possibly update the models. Methods: Patients from nine high-volume pancreatic
The pathophysiology behind Complex Regional Pain Syndrome (CRPS) is not fully understood and associated factors and triggers for developing the condition are debated. We aimed to study such factors and long-term outcome in a descriptive cross-sectional study with a well-defined population with CRPS in the upper limb and related to sex and CRPS type. In retrospectively collected data from medical r
In contemporary enterprises, customer satisfaction analysis has become a critical area of concentration. Being able to understand and predict customer satisfaction is becoming more and more important as companies try to develop and launch new products. Leveraging customer data intelligently and employing robust data analytics techniques are essential for meeting this imperative. With this objectiv
The use of standards has permeated virtually all aspects of modern society. Standards should be seen as the combined result of the standardisers’ expertise and the effects of the dynamics of the standardisation process itself. This article explores why some participants are more influential in standards development than others. Using an insider perspective, observations are gathered from almost a
Synthetic aperture radar (SAR) remote sensing (RS) technology is an ideal tool to map flooded areas on account of its all-time, all-weather imaging capability. Existing SAR data-based change detection approaches lack well-discriminant change indices for reliable floodwater mapping. To resolve this issue, an unsupervised change detection approach, made up of two main steps, is proposed for detectin
