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Combining crystallography with quantum mechanics

In standard crystallographic refinement of biomacromolecules, the crystallographic raw data are supplemented by empirical restraints that ensure that the structure makes chemical sense. These restraints are typically accurate for amino acids and nucleic acids, but less so for cofactors, substrates, inhibitors, ligands and metal sites. In quantum refinement, this potential is replaced by more accur

Fighting the world's worst aquatic weed - A comparison of management methods for Water hyacinth (Eichhornia crassipes) in Australia and South Africa

The Water hyacinth is one of the worst aquatic weeds in the world and it is today present on all continents except Antarctica. It causes big problems for both people and the aquatic ecosystems in many countries. A lot of research has been completed to find methods to eradicate the weed and a lot of money has been spent on management to keep waters clean. In this literature study on management meth

The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: Quantum refinement

Treatment of met-myoglobin (Fe-III) with H2O2 gives rise to ferryl myoglobin, which is closely related to compound II in peroxidases. Experimental studies have given conflicting results for this species. In particular, crystallographic and extended x-ray absorption fine-structure data have shown either a short (similar to170 pm) or a longer (similar to190 pm) Fe-O bond, indicating either a double

Utvärdering av olika farthinder på Malmös huvudgator

Varje år sker det tusentals olyckor i trafiken i Sverige till följd av det stora transportbehovet i samhället. Transportstyrelsen har ett mål, Nollvisionen, som innebär att ingen ska dödas eller skadas allvarligt i trafiken. För att nå målet är en åtgärd att hastigheten sänks där gång- och cykeltrafik behöver interagera med motorfordon. Det kan man göra i form av sidoförskjutningar, avsmalning av Every year, thousands of traffic accidents occur in Sweden as a result of the transportation need in society. The Swedish Transport Agency has a goal, Vision Zero, which means that no one should die or be severely injured in traffic. To reach the goal one measure is to reduce the speed where pedestrians and cyclists need to interact with motor vehicles. This can be done by chicanes, narrowing of t

Daily global solar radiation time series prediction using variational mode decomposition combined with multi-functional recurrent fuzzy neural network and quantile regression forests algorithm

Global solar radiation (GSR) prediction capability with a reliable model and high accuracy is crucial for comprehending hydrological and meteorological systems. It is vital for the production of renewable and clean energy. This research aims to evaluate the performance of combined variational mode decomposition (VMD) with a multi-functional recurrent fuzzy neural network (MFRFNN) and quantile regr

The Role of HoxB4 in Hematopoiesis

Popular Abstract in Swedish I kroppen produceras varje dag ca 1 000 000 000 000 nya blodceller för att ersätta celler som förbrukats eller sorterats undan som odugliga. I toppen av hierarkin finns den hematopoietiska stamcellen, eller blodstamcellen, en cell med ett antal unika egenskaper: (i) Förmågan att dela sig och ge upphov till minst en ny blodstamcell (cell med samma egenskaper som modercelHOXB4 is one of 39 members of the homeobox (HOX) family, a family of transcription factors involved in embryonic development. Several HOX transcription factors, including HOXB4, are highly expressed in hematopoietic stem cells (HSCs) but are downregulated upon differentiation towards more mature progeny cells. Enforced expression of HOXB4 dramatically increases the regeneration of murine HSC follo

Alloplastic total temporomandibular joint (TMJ) replacement registry : a protocol for a prospective global multicentre observational cohort study

INTRODUCTION: Total alloplastic replacement of the temporomandibular joint (TMJ) is a viable treatment option for severe TMJ disorders (TMDs) unresponsive to conservative approaches, as well as for reconstruction of congenital or acquired TMJ defects. However, clinical data on indications, outcomes, complications and long-term effects remain limited, and no global registry currently exists. This s

Response of six European forest sites to decided and proposed air pollutant emission reductions

Two acid deposition scenarios were simulated for six European forest sites situated in Germany, Denmark, Russia, Switzerland, Spain and Ireland. Three models were used in combination; the RAINS (Regional Acidification INformations and Simulation) model, the SAFE (Simulating Acidification in Forest Ecosystems) model and the MakeDep model. The scenarios used were based on results from international

Samverkan och kommunikation i ett byggprojekt

Communication is a keyword to success in a construction project and whit modern-days situation with the reduced building time and a lot of stress involved is it very important that correct information reaches out to the right persons on the right time. Many different partners are involved in the building project and each one of them works towards their own goals without thinking of the integrity.

Isotherms for adsorption of cellobiohydrolase I and II from Trichoderma reesei on microcrystalline cellulose

Adsorption to microcrystalline cellulose (Avicel) of pure cellobiohydrolase I and II (CBH I and CBH II) from Trichoderma reesei has been studied. Adsorption isotherms of the enzymes were measured at 4 degrees C using CBH I and CBH II alone and in reconstituted equimolar mixtures. Several models (Langmuir, Freundlich, Temkin, Jovanovic) were tested to describe the experimental adsorption isotherms.

Oesophageal Resection with Gastric Tube Reconstruction - A clinical study of a surgical method and its consequences on the upper gastrointestinal tract and survival

Popular Abstract in Swedish Esofagektomi (kirurgiskt avlägsnande av matstrupen) är ett omfattande ingrepp som främst utförs pga cancer, men som även utförs vid vissa godartade sjukdomar. Matstrupen sträcker sig från svalget, via bakre delen av bröstkorgen ned till övre delen av buken. Det anatomiska läget gör att man ur kirurgisk synpunkt oftast måste avlägsna matstrupen via en kombination av inciIn a prospective randomised study following oesophagectomy and gastric tube reconstruction patients with hand-sutured neck anastomoses were compared with patients with circular stapled chest anastomoses. The two groups had equal rates of anastomotic or conduit leaks of 7.3 % (3/41) and 7.1 % (3/42) and of benign anastomotic strictures of 19.5 % (8/41) and 28.6 % (12/42). Another prospective random

A Genetic Algorithm for Optimizing Mobile Stroke Unit Deployment

A mobile stroke unit (MSU) is an advanced ambulance equipped with specialized technology and trained healthcare personnel to provide on-site diagnosis and treatment for stroke patients. Providing efficient access to healthcare (in a viable way) requires optimizing the placement of MSUs. In this study, we propose a time-efficient method based on a genetic algorithm (GA) to find the most suitable am

Bvga42 litteratur ht2020.2

1 Litteratur Ahl, Helen. (2006). Motivation in adult education: A problem solver or a euphemism for direction and control?. International Journal of Lifelong Education 25(4), 385-405 Alvesson, Mats & Spicer, André. (2012). A Stupidity‐Based theory of organizations. Journal of management studies, 49(7), 1194-1220. Fejes, Andreas. (Red.). (2013). Lärandets mångfald: om vuxenpedagogik och folkbildni

https://www.psy.lu.se/sites/psy.lu.se/files/bvga42_litteratur_ht2020.2.pdf - 2026-05-31

Arsenic adsorption by iron-aluminium hydroxide coated onto macroporous supports: Insights from X-ray absorption spectroscopy and comparison with granular ferric hydroxides.

This paper evaluates the arsenic adsorption characteristics of a macroporous polymer coated with coprecipitated iron-aluminium hydroxides (MHCMP). The MHCMP adsorbent-composite fits best with a pseudo-second order model for As(III) and a pseudo-first order kinetic model for As(V). The MHCMP shows a maximum adsorption capacity of 82.3 and 49.6mgAs/g adsorbent for As(III) and As(V) ions respectively

Examensarbete - Framtagande av handlingsplan för geodatabas

Signal is a very important part of the railway. If you place a signal or a different object which is also important in the wrong place, can mean increased safety risks. To ease the work of the consultants in the creation of operational site drawings, the aim is to develop an action plan for the creation of a database, which in turn will be used to create a tool that can be used to automate the pro

Den som dokumenterar en grop åt andra

An archaeological excavation made within contract archaeology almost invariably means that the site is destroyed. This means that the documentation, which can be seen as the site’s remaining archive, is extremely important. In this master’s thesis the written digital documentation from eight excavations made within Swedish contract archaeology between 2000 and 2013 is examined using the technique

Enhancing the Activity of a Dietzia sp. D5 Baeyer-Villiger Monooxygenase towards Cyclohexanone by Saturation Mutagenesis

A recombinant Baeyer-Villiger monooxygenase, BVMO4 from Dietzia sp. D5 has been previously reported. The enzyme exhibited good thermostability and was active with a wide range of cyclic ketone substrates but catalysed poorly the conversion of cyclohexanone to caprolactone. The present work focuses on protein engineering of BVMO4 to improve the conversion of cyclohexanone. Thus, a structural model

Stipendier till studenter

Lunds universitet attraherar idag flest internationella studenter av alla svenska universitet. De internationella studenterna som kommer till Lund för att ta sin masterexamen bidrar med nya idéer, gränsöverskridande perspektiv och gör både universitetet och Lund till en attraktiv och kreativ plats som lockar de bästa talangerna.   Många utbildningar behöver det globala klassrummet – och det föruts

https://www.lu.se/samverkan-och-innovation/donera-till-universitetet/detta-kan-du-stodja/stipendier-till-studenter - 2026-05-31

Molecular development of a thermostable β-glucosidase for modification of natural products

Popular Abstract in English The gene encoding a β-glucosidase originating from the extreme thermophile Thermotoga neopolitana has been cloned and expressed in Escherichia coli. The aim was to produce a thermostable enzyme that could be used to remove sugar residues from glucosylated natural products classified as flavonoids by applying a method combining extraction in hot pressurized water with enThe gene encoding a β-glucosidase originating from the extreme thermophile Thermotoga neopolitana has been cloned and expressed in Escherichia coli. The aim was to produce a thermostable enzyme that could be used to remove sugar residues from glucosylated natural products classified as flavonoids by applying a method combining extraction in hot pressurized water with enzymatic hydrolysis. The β-g