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Ground-State Destabilization by Active-Site Hydrophobicity Controls the Selectivity of a Cofactor-Free Decarboxylase

Bacterial arylmalonate decarboxylase (AMDase) and evolved variants have become a valuable tool with which to access both enantiomers of a broad range of chiral arylaliphatic acids with high optical purity. Yet, the molecular principles responsible for the substrate scope, activity, and selectivity of this enzyme are only poorly understood to date, greatly hampering the predictability and design of

Female Faculty : Why So Few and Why Care?

Despite slow ongoing progress in increasing the representation of women in academia, women remain significantly under-represented at senior levels, in particular in the natural sciences and engineering. Not infrequently, this is downplayed by bringing forth arguments such as inherent biological differences between genders, that current policies are adequate to address the issue, or by deflecting t

Underneath the peace: Shaolin monks’ views on the relationship between Buddhism and science

This study explores Buddhist monks’ views on the religion-science relationship in contemporary China. Drawing on survey data, interviews with monks, and participant observation within Shaolin Temple – famous for its antiquity and its export of Shaolin Kungfu – we discern and theoretically account for two forms of ‘non-conflict,’ between science and religion, that shape monks’ mental lives. One gro

Investigating Elastic Deformation of Ordered Precipitates by Ab Initio-Informed Phase-Field Crystal Modeling

Ni-based superalloys, essential for high-temperature applications, derive strength from coherent second-order precipitates that impede dislocation motion through coherency misfit and elastic mismatch. This study employs multi-component phase-field crystal (PFC) simulations to explore the elastic deformation of such precipitates. Using a binary ordered square structure for the precipitate and a sin

Acupuncture for hypoxic ischemic encephalopathy in neonates

Background: Peripartum asphyxia affects three to five per 1000 live births, with moderate or severe hypoxic ischemic encephalopathy (HIE) occurring in 0.5 to 1 per 1000 live births, and is associated with high mortality and morbidity. Therapeutic hypothermia is an effective treatment, but alternative therapies such as acupuncture are also used. Objectives: To determine the benefits and harms of ac

Arbetsgivarens drogtest: När är det okej att testa och vad händer om det går fel? - Arbetsrättsliga processen vid drogtestning på arbetsplatsen

Arbetsgivarens intresse av en drogfri arbetsplats måste balanseras mot arbetstagarens rätt till personlig integritet vid drogtester, vilket skapar en komplex juridisk fråga. Uppsatsen undersöker processen stegvis för genomförandet av drogtester inom den privata sektorn ur en rättslig synvinkel. Från arbetsgivarens perspektiv granskas när och hur drogtester får utföras samt de rättsliga konsekvenThe employer’s interest in maintaining a drug-free workplace must be balanced against the employee’s right to personal integrity in the context of drug testing, creating a complex legal issue. This thesis examines the step-by-step process of conducting drug tests within the private sector from a legal perspective. From the employer’s standpoint, the study analyzes when and how drug tests may be

Modeling the Alkaline Hydrolysis of Diaryl Sulfate Diesters : A Mechanistic Study

Phosphate and sulfate esters have important roles in regulating cellular processes. However, while there has been substantial experimental and computational investigation of the mechanisms and the transition states involved in phosphate ester hydrolysis, there is far less work on sulfate ester hydrolysis. Here, we report a detailed computational study of the alkaline hydrolysis of diaryl sulfate d

Enzyme Evolution : An Epistatic Ratchet versus a Smooth Reversible Transition

Evolutionary trajectories are deemed largely irreversible. In a newly diverged protein, reversion of mutations that led to the functional switch typically results in loss of both the new and the ancestral functions. Nonetheless, evolutionary transitions where reversions are viable have also been described. The structural and mechanistic causes of reversion compatibility versus incompatibility ther

Uncovering the Role of Key Active-Site Side Chains in Catalysis : An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase

We report results of detailed empirical valence bond simulations that model the effect of several amino acid substitutions on the thermodynamic (ΔG°) and kinetic activation (ΔG⧧) barriers to deprotonation of dihydroxyacetone phosphate (DHAP) and d-glyceraldehyde 3-phosphate (GAP) bound to wild-type triosephosphate isomerase (TIM), as well as to the K12G, E97A, E97D, E97Q, K12G/E97A, I170A, L230A,

B-Spline Solution of the Two-Center Dirac Equation in the Electronic Continuum for Relativistic Molecular Photoionization

In this work, the two-center Dirac equation is solved numerically using an extension of an adapted B-spline basis set method previously implemented in relativistic atomic calculations (Fischer, C. F.; Zatsarinny, O. Comput. Phys. Commun. 2009, 180, 879). The robustness of the chosen numerical method, which avoids the appearance of spurious states common in other approaches, allows us to investigat

Förintelseforskningen i Norden : Från historiskt undantag till demokratisk grundton

Something that all Nordic countries have in common is that journalistic work, popular culture phenomena and public debates resulting in subsequent political initiatives have served as driving forces in the development of academic research on the Holocaust. It is also clear that the field is heavily politicized, imbued with moral questions and highly diversified.The memories of the Holocaust have i

Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds

Transcriptional repressor EthR from Mycobacterium tuberculosis is a valuable target for antibiotic booster drugs. We previously reported a virtual screening campaign to identify EthR inhibitors for development. Two ligand binding orientations were often proposed, though only the top scoring pose was utilized for filtering of the large data set. We obtained biophysically validated hits, some of whi

Opto-Avoidance-Elevated Plus Maze protocol to study positive or negative valence upon optogenetic stimulation in the mouse brain

The elevated plus maze (EPM) apparatus consists of two open arms that provide aversive spaces and two closed arms that provide protective and welcoming spaces. Here, we present a protocol to implement the classical EPM apparatus in a real-time optogenetic environment to address behavioral avoidance in mice. We describe steps for performing stereotaxic surgery, mouse manipulation, and experimental

Bristande tillgänglighet - En jämförande uppsats mellan bristande tillgänglighet och indirekt diskriminering

Bristande tillgänglighet är en unik diskrimineringsform. I viss utsträckning kräver diskrimineringsformen att arbetsgivaren anpassar arbetet för funktionsnedsatta i behov av särskild anpassning, med mål att individen hamnar i jämförbar situation med andra medarbetare. Denna har nära band med indirekt diskriminering. Ofta åberopas dessa i kombination med varandra, och i vissa länder har denna nära The Swedish form of discrimination, lack of accessibility, is unique. To an extent, this form of discrimination requires the employer to adapt the work of a disabled person, who needs special accommodation, intending to put the individual in a comparable situation to his co-workers. This form of discrimination has a close connection to indirect discrimination. Often, these are invoked in combinati

Räckvidden av skiljeavtal - En studie av skiljeavtals omfattningsbestämning efter NJA 2023 s. 437 "Husqvarnas skiljeavtal"

Skiljeförfarande är i svensk rätt jämställt med tvistlösning i allmän domstol beträffande dispositiva tvistemål. Grunden för tvistlösning genom skiljeförfarande, är ett skiljeavtal mellan parterna. Huruvida en uppkommen tvist ska lösas genom skiljeförfarande – när det finns ett skiljeavtal parterna emellan – är avhängigt skiljeavtalets (objektiva) omfattning. Skiljenämnden saknar behörighet att avArbitration is, according to Swedish law, equivalent to court proceeding, when it comes to dispositive disputes. The basis of dispute resolution through arbitration, is an arbitration agreement between the litigants. Whether a dispute should be resolved through arbitration – when there is an arbitration agree-ment between the litigants – is dependent on the scope of their arbitration agreement. Th

Vad får domstolen döma över? En studie av värden i svensk straffprocessrätt

Syftet med uppsatsen är att studera vad domstolarna får döma över och vilka värden den svenska straffrätten bygger på. För att undersöka vad domstolarna får döma över har jag behandlat de krav på gärningsbeskrivningens omfattning som ställs i RB 30:3. Därtill undersöks vad lagen och förarbeten behandlar om materiell processledning. För att kunna undersöka straffrättens värden använder jag mig av The purpose of this essay is to study the limitations to what the courts can base their judgement on and to analyze the values of the Swedish criminal process. To study the existing limitations to what the court can base their judgements on I have examined the requirements upon the statement of the criminal act as charged set up in chapter 30 section 3 in the code of judicial procedures. To examin

Automatiserat beslutsfattande inom offentlig förvaltning – Med fokus på artikel 22 GDPR och svensk nationell lagstiftning inom socialförsäkringsområdet

I modern svensk myndighetsutövning används tekniska lösningar för att underlätta eller effektivisera interna processer med hjälp av artificiell intelligens (AI). Den offentliga förvaltningen kan nyttja maskininlärda AI-system för beslutsstöd eller till och med automatiserat beslutsfattande. Försäkringskassan använder sådana verktyg för att automatiskt granska vab-ansökningar och markera potentiellIn modern Swedish public administration, technical solutions are used to facilitate or streamline internal processes with the help of artificial intelligence (AI). Public management can use machine-learned systems for assessment purposes or even automated decision-making. The Swedish Social Insurance Agency (Försäkringskassan) uses such tools to automatically review Care of a sick child (vab) appl