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Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modeling of such systems. We have employed the GROMACS simulation package to perform extensive benchmarking of different commonly used electrostatic schemes on a range of computer archite
In recent years global problems such as climatic change, acid rain, and water pollution in surface and subsurface environments dominate discussions of world environmental problems. In this paper, the roles of hydrologic processes and hydrogeochemical processes are investigated through development, modification, and application of mathematical models for addressing point and non-point source water
Intumescent coating acts as a thermal barrier for construction materials during fire hazards. The coating has the ability to expand by a factor of 40 or more during heat exposure. However, due to its fragile consistence, no physical or optical measurement technique has previously been able to measure the coating surface temperature during expansion. This is undesirable since without accurate infor
OBJECTIVE: To cross-validate, prospectively, the diagnostic performance of established ultrasound methods for discrimination of benign and malignant pelvic masses. METHODS: A total of 173 consecutive women with a pelvic mass judged clinically to be of adnexal origin underwent preoperative ultrasound examination including color and spectral Doppler techniques. A total of 149 tumors were benign, and
A superdeformed band consisting of a cascade of ten gamma-ray transitions has been identified and assigned to the nucleus Tc-89, close to the proton dripline. The quadrupole moment of the band (Q(t) = 6.7(-2.3)(+3.0) eb, as measured by the Residual Doppler Shift Method) as well as a large dynamic moment of inertia point to a highly elongated shape. With a relative population of approximately 15% o
Previous studies have suggested that depression increases the risk for diabetes and that this may be mediated through insulin resistance. The study aimed to analyze if self-rated symptoms of depression are related to insulin resistance among middle-aged and older Swedish women with features of the metabolic syndrome and being at risk for type 2 diabetes mellitus. We analyzed data from 1047 Swedish
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Background. In some western populations, increased serum uric acid has been positively associated with cardiovascular disease, possibly because hyperuricaemia could be an untoward part of the insulin-resistant metabolic syndrome. However, there is evidence that uric acid is a free radical scavenger capable of inhibiting LDL oxidation. Amongst the traditional horticulturalists of Kitava, Trobriand
Ett terminologisk förslag till tredelning av textbegreppet i första hand ägnat att handha texttraditioner som rymmer större eller mindre variation: textverk = den abstrakta storhet som i olika manifestationer uppfattas som ett och samma verk (ett slags motsvarighet till fonemet), textvittne = den specifika manifestationen av ett textverk, textbärare = den konkreta (och därmed multimodala) bäraren
An efficient approach was developed for ester-linking the sterically hindered carboxy group of N-acetylneuraminic acid with the secondary hydroxy group at C(2) of galactose. Putative precursors of the glycosidically linked disaccharide Neu5Ac-(2-3)-Gal were prepared.
Hematopoietic stem cells (HSCs) are primitive tissue-specific somatic stem cells, responsible for the maintenance and replenishment of the bone marrow (BM) and subsequently the entire blood system. The never-ending ability to differentiate into all the mature hematopoietic lineages makes these HSCs attractive candidates for use in future regenerative medicine. HSCs are balanced between different f
The two nuclei Cd-98 and Sn-102, closest neighbours of Sn-100, have been studied with a recoil catcher setup, following the reactions: Ni-58(Ti-46, alpha 2n)Cd-98 and Ni-58(Cr-50, alpha 2n)Sn-102. Long lived isomeric states were measured in Cd-98 I-pi = (8+), t(1/2) = 0.48(8) mu s and in Sn-102 I-pi = (6(+)) with t(1/2) = 1.0(6) mu s. The proposed experimental level schemes of the isomeric decay a
Boken är utgiven med anledning av Lars-Erik Nevanders 70-årsdag och baseras på ett symposium i Lund 1991 med föredrag av personer som arbetat med Nevander under hans tid som professor i Lund. Föredragen hölls av en bred samling internationella namn och omfattar ett brett spektrum bl a klimat & fuktfrågor, betong- och murverkskonstruktioner m.m.This book is dedicated to Lars Erik Nevander, who turned 70 in the autumn of 1991. An international symposium was held in Lund in September of 1991 to which participants were specially invited who had worked with Lars Erik Nevander in one connection or another during the time of his professorship at Lund University. Invited papers presented by some 20 of the participants illurninated important d
Electrochemical and fluorometric studies on a few selected phenazine and phenoxazine dyes has been carried out in free conditions and when covalently attached to a protein. The dyes have been coupled using the conventional coupling agent carbodiimide (derivative). Neutral Red and Nile Blue A, show significant shifts in their emission peaks to shorter wavelengths on binding to bovine serum albumin
Knowledge of effects of moisture exposure on timber structures is important for serviceability and load bearing capacity of timber elements and systems. Varying climate affects the moisture content profiles in timber as the relative humidity changes in the ambient air. This paper presents methods for calculation of diffusion based moisture transport and corresponding results on how timber responds
Pioneering work in the last century has resulted in a widely accepted paradigm that primary production is strongly positively related to temperature and water availability such that the northern hemispheric forest carbon sink may increase under conditions of global warming. However, the terrestrial carbon sink at the ecosystem level (i.e. net ecosystem productivity, NEP) depends on the net balance
