The Raman optical activity of β-D-xylose: where experiment and theory meet

Besides its applications in bioenergy and biosynthesis, β-D-xylose is a very simple monosaccharide that exhibits relatively high rigidity. As such, it provides the best basis to study the impact of different solvation shell radii on the computation of its Raman optical activity (ROA) spectrum. Indeed, this chiroptical spectroscopic technique provides exquisite sensitivity to stereochemistry, and benefits much from theoretical support for interpretation. Our simulation approach combines density functional theory (DFT) and molecular dynamics (MD) in order to efficiently account for the crucial hydration effects in the simulation of carbohydrates and their spectroscopic response predictions. Excellent agreement between the simulated spectrum and the experiment was obtained with a solvation radius of 10 Å. Vibrational bands have been resolved from the computed ROA data, and compared with previous results on different monosaccharides in order to identify specific structure–spectrum relationships and to investigate the effect of the solvation environment on the conformational dynamics of small sugars. From the comparison with ROA analytical results, a shortcoming of the classical force field used for the MD simulations has been identified and overcome, again highlighting the complementary role of experiment and theory in the structural characterisation of complex biomolecules. Indeed, due to unphysical puckering, a spurious ring conformation initially led to erroneous conformer ratios, which are used as weights for the averaging of the spectral average, and only by removing this contribution was near perfect comparison between theory and experiment achieved

Distinguishing epimers through raman optical activity

The Raman optical activity spectra of the epimers β-d-glucose and β-d-galactose, two monosaccharides of biological importance, have been calculated using molecular dynamics combined with a quantum mechanics/molecular mechanics approach. Good agreement between theoretical and experimental spectra is observed for both monosaccharides. Full band assignments have been carried out, which has not previously been possible for carbohydrate epimers. For the regions where the spectral features are opposite in sign, the differences in the vibrational modes have been noted and ascribed to the band sign changes

Direct observation of substitutional Ga after ion implantation in Ge by means of extended x-ray absorption fine structure

We present an experimental lattice location study of Ga atoms in Ge after ion implantation at elevated temperature (250°C). Using extended x-rayabsorption fine structure (EXAFS) experiments and a dedicated sample preparation method, we have studied the lattice location of Ga atoms in Ge with a concentration ranging from 0.5 at. % down to 0.005 at. %. At Ga concentrations ≤0.05 at.%, all Ga dopants are substitutional directly after ion implantation, without the need for post-implantation thermal annealing. At higher Ga concentrations, a reduction in the EXAFS amplitude is observed, indicating that a fraction of the Ga atoms is located in a defective environment. The local strain induced by the Ga atoms in the Ge matrix is independent of the Ga concentration and extends only to the first nearest neighbor Ge shell, where a 1% contraction in bond length has been measured, in agreement with density functional theory calculations.We acknowledge the support from the Research Foundation Flanders, the epi-team from imec, the KU Leuven GOA 09/06 project, the IUAP program P6/42 and the Australian Research Council. S.C. acknowledges support from OCAS NV by an OCAS-endowed chair at Ghent University

Demokratisk industriarv? Kulturarvifisering og identitet i øvre Telemarks verdensarvområde

Industrial heritage supposedly offers workers a right to a past and has therefore been cele­b­rated as democratic. Authorities continue to applaud democratization, supporting and encouraging heritage for all, in an open and non-excluding sense. Examining the concept of democratic industrial heritage, this article explores connections between heritage and identification in a major industrial heritage site in Southern Norway. It investigates how implicit and seemingly under-communicated boundaries between self and Other are negotiated on the ground when local people’s history and environment become world heritage.In the early 20th century, a major industrial complex was established in the upper regions of Telemark. After securing rights and access to local natural resources, the company Norsk Hydro was soon developed into a major producer of artificial fertilizer, driven by hydroelectric power. A century later, and some two and a half decades after the enterprise had shut down and relocated all chemical production, the early history and physical remains of the local indus­try was awarded UNESCO World Heritage status in 2015. Ethnographic data collected within the Rjukan-Notodden industrial heritage site between May 2017 and December 2018 demonstrates that so-called heritage communities are far from stable. Heritagization processes not only produce heritage and heirs. World heritage, especially, also produces a series of stages, arenas, situations and debates. Here, identities are mobilized in different constellations according to changing political circumstances. Heritage communities thus constantly shift as members and heirs populate the democratic world heritage’s less visible, yet constituent, Other with new social groups – often opponents in the politicized situations that heritagization processes provoke. Heritage, then, becomes resource and raw-material for strategic identity construction on the wide variety of arenas that heritagization generates

Tilstanden i sjøområdene ved Grimstad før start av biologisk renseanlegg på Groos

I 1995 ble Groosefjorden undersøkt for å dokumentere tilstanden før igangsetting av nytt biologisk renseanlegg. Det ble også gjort undersøkelser i andre kystområder i Grimstad kommune for å vurdere tilstanden. Undersøkelsene omfattet vannkjemiske målinger (oksygen, næringssalter, temperatur og saltholdighet), bløtbunnprøver, hardbunnundersøkelser (strandsone og dykk) samt undersøkelse av fiskeforekomster. Undersøkelsene viste at bunnområdene i Groosefjorden var tydelig påvirket av det kommunale utslippet på Groos. Bunnvannet hadde lave oksygenkonsentrasjoner og nær utslippet var bløtbunnsfaunaen dominert av arter som opptrer ved tung organisk belastning, men det var ingen større endringer i tilstanden siden forrige undersøkelse på 1980-tallet. Ved dykking ble det i tillegg registrert hydrogensulfid i sedimentene ved utslippspunktet. I overflatelaget ble det kun funnet svake effekter av utslippet. I Homborsund var det ingen større effekter av utslippet, men resultatene tyder på at området er sårbart for økning i tilførslene

An Influenza Virus M2 Protein Specific Chimeric Antigen Receptor Modulates Influenza A/WSN/33 H1N1 Infection In Vivo

A potential target for the development of universal vaccine strategies against Influenza A is the M2 protein – a membrane protein with a highly conserved extracellular domain. In this study we developed engineered T-cell receptors, by fusing M2-specific antibody sequences with T-cell receptor transmembrane and signaling domains to target influenza infected cells. When expressed on T-cells, these novel T-cell receptors (chimeric antigen receptors - CARs) are able to recognize specific antigens on the surface of target cells via an MHC-independent mechanism. Using an existing monoclonal antibody (14C2) specific for the M2 ectodomain (M2e), we generated an M2-specific CAR. We tested the specificity of this M2 CAR in vitro by measuring the activation of T-cells in response to M2-specific peptides or M2-expressing cell lines. Both Jurkat T-cells and peripheral blood mononuclear cells expressing the M2-specific CAR responded to specific antigen stimulation by upregulating NFAT and producing γ-interferon. To test whether the M2-specific CAR are effective at recognizing influenza infected cells in vivo we used an established BALB/c murine infection model. At day 4 post-infection, when M2 CAR expressing splenocytes could be detected in the lung, the Influenza A/WSN/33 virus titre was around 50% of that in control mice. Although the lung virus titre later increased in the treated group, virus was cleared in both groups of mice by day 8. The results provide support for the development of M2e as a target for cell mediated immunotherapy

Overview of the Nordic Seas CARINA data and salinity measurements

Water column data of carbon and carbon relevant hydrographic and hydrochemical parameters from 188 previously non-publicly available cruises in the Arctic, Atlantic, and Southern Ocean have been retrieved and merged into a new database: CARINA (CARbon IN the Atlantic). The data have been subject to rigorous quality control (QC) in order to ensure highest possible quality and consistency. The data for most of the parameters included were examined in order to quantify systematic biases in the reported values, i.e. secondary quality control. Significant biases have been corrected for in the data products, i.e. the three merged files with measured, calculated and interpolated values for each of the three CARINA regions; the Arctic Mediterranean Seas (AMS), the Atlantic (ATL) and the Southern Ocean (SO). With the adjustments the CARINA database is consistent both internally as well as with GLODAP (Key et al., 2004) and is suitable for accurate assessments of, for example, oceanic carbon inventories and uptake rates and for model validation. The Arctic Mediterranean Seas include the Arctic Ocean and the Nordic Seas, and the quality control was carried out separately in these two areas. This contribution provides an overview of the CARINA data from the Nordic Seas and summarises the findings of the QC of the salinity data. One cruise had salinity data that were of questionable quality, and these have been removed from the data product. An evaluation of the consistency of the quality controlled salinity data suggests that they are consistent to at least ±0.005

Operational oceanography in support to indicator reporting

Operational Oceanography (OO) has now emerged to a stage that allows the design, development and execution of marine core services tailored to user requirements. As such it is also feasible to provide routine production of environmental and climate indicators. Indicators are synthetic indices of environmental changes at various temporal and spatial scales. In this paper we outline the possible contribution and strengthening of existing indicator reporting based on OO products followed by a discussion of the relevance of such improved reporting for marine environmental policy implementation and regulation. In particular, it capitalizes on the main achievements of the Marine Environment and Security of the European Area (MERSEA) project, the outcome of a European Marine Monitoring and Assessment (EMMA) workshop on the connection between operational oceanography and the European Marine Strategy (EMS) Directive and the regular European Environmental Agency (EEA) assessment reports

Spirometry reference equations for central European populations from school age to old age.

Spirometry reference values are important for the interpretation of spirometry results. Reference values should be updated regularly, derived from a population as similar to the population for which they are to be used and span across all ages. Such spirometry reference equations are currently lacking for central European populations. To develop spirometry reference equations for central European populations between 8 and 90 years of age. We used data collected between January 1993 and December 2010 from a central European population. The data was modelled using "Generalized Additive Models for Location, Scale and Shape" (GAMLSS). The spirometry reference equations were derived from 118'891 individuals consisting of 60'624 (51%) females and 58'267 (49%) males. Altogether, there were 18'211 (15.3%) children under the age of 18 years. We developed spirometry reference equations for a central European population between 8 and 90 years of age that can be implemented in a wide range of clinical settings