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A new implementation of the approximate coupled cluster singles and doubles CC2 linear response model using Cholesky decomposition of the two-electron integrals is presented. Significantly reducing storage demands and computational effort without sacrificing accuracy compared to the conventional model, the algorithm is well suited for large-scale applications. Extensive basis set convergence studi

The free volume properties of a poly(methyl methacrylate)-azobenzene copolymer were for the first time directly probed by use of a low-energy positron lifetime beam with in-situ excitation capabilities, showing that the free volume cavity size was not appreciably influenced by photoisomerization and thermal isomerization in the temperature range 34-180 degreesC. lsomerization is therefore suggeste

Background: The benefits of hypothermia during acute severe anemia are not entirely settled. The authors hypothesized that cooling would improve tolerance to anemia. Methods: Eight normothermic (38.0 +/- 0.5degreesC) and eight hypothermic (32.0 +/- 0.5degreesC) pigs anesthetized with midazolam-fentanyl-vecuronium-isoflurane (0.5% inspired concentration) were subjected to stepwise normovolemic hemo

While knowledge theorists urge attention to knowing in practice, two common habits in the empirical literature, which we call knowledge inherency and skepticism, function to re-center certain practitioners. The sites in which we study knowing thereby remain limited, hindering a fuller practice turn. We argue that this enduring tendency is problematic because it inhibits our understanding of ‘commu

We have examined and compared the effects of mutating Y41 and H155 in the iron superoxide dismutase (SOD) from the archaeon Sulfolobus solfataricus (Ss). These two neighboring residues in the active site are known to have crucial functions in structurally related SODs from different sources. The metal analysis indicates a slightly lower iron content after either Y41F or H155Q replacement, without

The branching plane associated with the conical intersection controlling the photochemical Z -> E isomerization reaction of rhodopsin has been mapped using a CASPT2//CASSCF/ AMBER quantum mechanics-molecular mechanics method. The nature of the derivative coupling and gradient difference vectors spanning the branching plane has been investigated, showing that the conical intersection is not only as

Primary infection by group A streptococci (GAS) takes place at either the throat or skin of the human host, often leading to pharyngitis or impetigo, respectively. Many GAS strains differ in their preference for throat and skin tissue sites. Previous epidemiological findings show that many of the strains displaying strong tropism for the skin have a high-affinity binding site for plasminogen, loca

While index insurance has received increased attention as an instrument for adaptation to climate change, evidence supporting its effectiveness remains limited. This thesis explores the potential of normalized difference vegetation index (NDVI) based livestock index insurance in Northern Kenya to help small-scale farmers to manage climate change risks in the event of livestock-reducing drought. Th

Introduction: The Chilean Society of Bariatric and Metabolic Surgery, together with other scientific societies, led a process for adapting the Canadian clinical practice guideline for obesity in adults for Chile. The aim of the Canadian guideline, among its main objectives, was to propose changes in obesity management using a chronic disease framework and focusing on improving patient-centered hea

Achieving ambitious policy goals such as those enshrined in the Sustainable Development Goals requires that several conditions be met. For example, it is widely believed that sustainable development policies should be legitimate, as the concept of legitimacy is frequently associated with sustainable development. Nevertheless, the notion of legitimacy is notoriously multifaceted and contested. In l

The androgen receptor is a key transcription factor contributing to the development of all stages of prostate cancer (PCa). In addition, other transcription factors have been associated with poor prognosis in PCa, amongst which c-Myc (MYC) is a well-established oncogene in many other cancers. We have previously reported that the AR promotes glycolysis and anabolic metabolism; many of these metabol

Sugarcane bagasse was subjected to steam pretreatment impregnated with hydrogen peroxide. Analyses were performed using 2(3) factorial designs and enzymatic hydrolysis was performed at two different solid concentrations and with washed and unwashed material to evaluate the importance of this step for obtaining high cellulose conversion. Similar cellulose conversion were obtained at different condi