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The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic structure theory, electronic spectroscop
Background: Celiac disease (CD) is an autoimmune disease leading to gastrointestinal symptoms and mineral deficiencies. The pathogenetic mechanisms, besides the clear HLA association, are elusive. Among environmental factors infections have been proposed. Covid-19 infection results in a systemic inflammatory response that often also involves the gastrointestinal tract. The aim of the present study
Background: High breast density is a risk factor for breast cancer. However, whether density is a prognostic factor is debatable. Also, tumor appearances are related to tumor characteristics. Here we investigate the relationship between breast cancer-specific survival and mammographic breast density and mammographic tumor appearances. Methods: Women in the Malmö Diet and Cancer study with invasive
The current diagnostic pathway for patients with muscle-invasive bladder cancer (MIBC), which involves with computed tomography urography, cystoscopy, and transurethral resection of the bladder (TURB) to histologically confirm MIBC, delays definitive treatment. The Vesical Imaging-Reporting and Data System (VI-RADS) has been suggested for MIBC identification using magnetic resonance imaging (MRI),
Excessive use of water resources in combination with climate change threaten to significantly reduce groundwater in arid and semiarid regions. We studied the effects of climate change on the groundwater level for the important Dehgolan Aquifer in northwestern Iran. The water level in this aquifer has dropped by about 35 m during the last 30 years. Soft computing techniques were used together with
While there have been numerous studies investigating the impact of the COVID-19 pandemic on tourism, few research projects have examined the impact of the outbreak on using smart tourism technologies (STT), especially in developing countries. This study adopted thematic analysis, with data collected using in-person interviews. The participants for the study were selected using the snow-balling tec
PurposeTo develop an application for the Pentacam HR for the purpose of optimising the accuracy of the diagnosis of progressive keratoconus.MethodsMeasurements were performed on one randomised eye in twenty-five subjects with keratoconus Stage 1-2 according to the Amsler-Krumeich classification on two occasions, three days apart. Four replicate measurements were made by a single examiner on each o
Left ventricular diameter (LVEDD) increases with systematic endurance training but also in various cardiac diseases. High exercise capacity associates with favorable outcomes. We hypothesized that peak work rate (Wpeak) indexed to LVEDD would carry prognostic information and aimed to evaluate the association between Wpeak/LVEDDrest and cardiovascular mortality. Wpeak/LVEDDrest (W/mm) was calculate
This paper examines the relationship between environmental accidents and voting. Following the 1986 Chernobyl disaster, environmentalist parties entered parliaments in several nations. This paper uses Chernobyl as a natural experiment creating variation in radioactive fallout exposure over Sweden. I match municipality-level data on cesium ground contamination with election results for the environm
When imaging (i.e., chest-x-ray or computed tomography) is used to differentiate between acute bronchitis and pneumonia, many patients are being prescribed antibiotics despite the absence of radiographic pneumonia signs. This study of lower respiratory tract infections (LRTIs) with negative chest imaging compares cases where antibiotics were prescribed and not prescribed to find characteristics th
Data generated from next generation sequencing (NGS) will soon comprise the majority of information about arbuscular mycorrhizal fungal (AMF) communities. Although these approaches give deeper insight, analysing NGS data involves decisions that can significantly affect results and conclusions. This is particularly true for AMF community studies, because much remains to be known about their basic b
Little is known about how community composition in the plant microbiome is affected by events in the life of a plant. For example, when the plant is exposed to soil, microbial communities may be an important factor in root community assembly. We conducted two experiments asking whether the composition of the root microbiota in mature plants could be determined by either the timing of root exposure
This article explores some of the key institutional challenges hindering the development of a new ‘social’ housing cooperative model in Finland. In response to rising housing unaffordability and insecurity in the private housing sector, and a retrenching social housing sector, Finland is experiencing a resurgence of practical and political interest in housing cooperatives. Based on a document stud
Background: Sexually transmitted infections (STIs) remain a major public health problem worldwide, with the burden of these infections being high among female sex workers (FSWs), who are often not aware of their infection status. This study aimed to determine the factors that are associated with the number of STIs among FSWs in Ethiopia.Methods: A cross-sectional bio-behavioral study involving res
Aspects of spatial and temporal rainfall variability and rainfall analysis in relation to some water management problems are surveyed and discussed. It is concluded that relevant modelling of hydrological processes in which the rainfall is a driving force is vital with respect to possibilities of finding solutions to increasing environmental problems following urbanization and industrialization. H
Providing safe drinking water to people in developing countries is an urgent worldwide water problem and a main issue in the UN Sustainable Development Goals. One of the most efficient and cheapest methods to attain these goals is to promote the use of slow sand filters. This review shows that slow sand filters can efficiently provide safe drinking water to people living in rural communities not s
The transformation of rainfall into runoff is one of the most important processes in hydrology. In the past few decades, a wide variety of automated or computer-based approaches have been applied to model this process. However, many such approaches have an important limitation in that they treat the rainfall-runoff process as a realization of only a few parameters of linear relationships rather th
Time-domain reflectometry (TDR) is an electromagnetic technique for measurements of water and solute transport in soils. The relationship between the TDR-measured dielectric constant (Ka) and bulk soil electrical conductivity ([sgrave]a) to water content (θW) and solute concentration is difficult to describe physically due to the complex dielectric response of wet soil. This has led to the develop
