Adenosine A2A receptors are upregulated in peripheral blood mononuclear cells from atrial fibrillation patients

Atrial fibrillation (AF) is the most common form of cardiac arrhythmia seen in clinical practice. While some clinical parameters may predict the transition from paroxysmal to persistent AF, the molecular mechanisms behind the AF perpetuation are poorly understood. Thus, oxidative stress, calcium overload and inflammation, among others, are believed to be involved in AF-induced atrial remodelling. Interestingly, adenosine and its receptors have also been related to AF development and perpetuation. Here, we investigated the expression of adenosine A2A receptor (A2AR) both in right atrium biopsies and peripheral blood mononuclear cells (PBMCs) from non-dilated sinus rhythm (ndSR), dilated sinus rhythm (dSR) and AF patients. In addition, plasma adenosine content and adenosine deaminase (ADA) activity in these subjects were also determined. Our results revealed increased A2AR expression in the right atrium from AF patients, as previously described. Interestingly, increased levels of adenosine content and reduced ADA activity in plasma from AF patients were detected. An increase was observed when A2AR expression was assessed in PBMCs from AF subjects. Importantly, a positive correlation (P=0.001) between A2AR expression in the right atrium and PBMCs was observed. Overall, these results highlight the importance of the A2AR in AF and suggest that the evaluation of this receptor in PBMCs may be potentially be useful in monitoring disease severity and the efficacy of pharmacological treatments in AF patients

Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller–Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube

Software for the frontiers of quantum chemistry:An overview of developments in the Q-Chem 5 package

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design

Test road on E4 Huskvarna with porous asphalt for noise reduction

Rapporten beskriver ett provvägsförsök med bullerreducerande asfaltbeläggning på E4, Huskvarna. Entreprenadformen för objektet var totalentreprenad med bland annat krav på bullerreducering under funktionstiden. Sommaren 2010 lades två lager av dränasfalt (dubbeldrän) på en sträcka av 2,7 km genom Huskvarna. I samband med utförandet av beläggningen lades också ett antal provsträckor in i objektet. En arbetsgrupp med representanter från Svevia, Nynas, VTI och Trafikverket hade startats upp i början av 2010 med syfte att ta fram ett koncept för dubbeldrän som har så bra tekniska och akustiska egenskaper som möjligt. Tidigare erfarenheter visade på relativt korta livslängder för den här typen av beläggningar och skador relaterade till bristande beständighet förekom i tidiga skeden. VTI har utfört bullermätningar enligt CPX-metoden (ISO/DIS 11819-2) åren 2010, 2011, 2012, 2013 och 2014. Mätningarna har utförts i samtliga körfält och riktningar och gav följande resultat: 2010: Bullerreduktionen 7 till 8 dB(A). 2011: Bullerreduktion 7 till 8 dB(A). 2012: Bullerreduktion 6,5 till 7,5 dB(A). 2013: Bullerreduktion 6 till 7 dB(A). 2014: Bullerreduktion 3 till 6 dB(A). Förändringen på 3 dB(A) från 2014 jämfört med 2013 är kopplad till körfältet K1 där vägbanan förseglades hösten 2013. Porerna kan delvis ha täppts igen av det tillförda bindemedlet men även av vägsmuts. De utrinningstester som utfördes 2014 visar också på sämre dräneringsförmåga jämfört med tidigare mätning ar. Borrkärnor från vägen kommer också att undersökas med avseende på vägsmuts i porerna.The report describes a test road with Porous Asphalt (PA) on E4, Huskvarna. Construction contract form of the object was a turnkey contract, including requirements on noise reduction during operation time. In the summer of 2010 two layers of porous asphalt (double layer) were laid at a distance of 2.7 km by Huskvarna. In connection with the performance of the pavement were also a number of test sections into the object. A working group with representatives from contractors (Svevia), suppliers (Nynas), researcher (VTI) and Transport Administration had started up in early 2010 with the aim to develop a concept for double layer of porous asphalt with as good technical and acoustic properties as possible. Past experience showed relatively short lifetimes of these types of pavement and damage related to durability occurred in early stages. VTI has performed noise measurements according to the CPX method (ISO/DIS 11819-2) years 2010, 2011, 2012, 2013 and 2014. The measurements have been performed in all lanes and directions and gave the following results: · 2010: Noise reduction is 7 to 8 dB(A). · 2011: Noise Reduction 7 to 8 dB(A). · 2012: Noise Reduction 6.5 to 7.5 dB(A). · 2013: Noise Reduction 6 to 7 dB(A). · 2014: Noise Reduction 3 to 6 dB(A). The change of 3 dB(A) from 2014 compared with 2013 is connected to the lane K1 where the road was sealed in autumn 2013. The pores may have partially obstructed by the applied adhesive but also by road dirt. The drainability conducted in 2014 also show poorer drainage capacity compared with previous measurements. Drill cores from the road will also be examined for road dirt in the pores

Experience of low noise pavements

Rapporten sammanfattar erfarenheterna av bullerreducerande asfaltbeläggningar i Sverige. Den är i första hand inriktad på asfaltrelaterade faktorer som påverkar bulleregenskaperna. Den tar även upp betydelsen av vägens utformning när dränasfalt används, en inventering av var bullerreducerande beläggningar lagts på senare år, besiktning av sträckor som lagts i Stockholmsområdet, årskostnad, olika typer av bullerreducerande beläggning med mera. Den vanligaste benämningen på bullerreducerande asfalt är dränerande asfaltbetong, ABD eller förkortat dränasfalt. Dränasfalt har ett högt hålrum och en hög andel av grovballast (85 %). På så sätt får den ett sammanhängande porsystem, vilket kan leda bort vatten och absorbera en del av ljudet från däcken. Syftet med beläggningstypen var ursprungligen att förbättra trafiksäkerheten och framkomligheten på vägen vid regn. Med tiden har fokus flyttats till dränasfaltens bullerreducerande förmåga och används i dag huvudsakligen som en åtgärd för att begränsa bullerstörningar. I syfte att förbättra beständigheten hos dränasfalt, lagd i två lager, startades 2010 ett FOU-projekt, med deltagande från leverantörer, entreprenörer, Statens väg- och transportforskningsinstitut (VTI) och Trafikverket. Tre större provsträckor på högtrafikerade vägar med en hastighet av 90, 100 och 110 km/h har byggts. De lades 2010, 2012 och 2014 i södra, mellersta och norra Sverige. Bullerreduktionen har vid utförandet legat på 7–8 dB(A) och minskat med 0,5–1 dB(A) per år. Beständigheten hos dessa dränbeläggningar har varit bra med stenlossning och andra typer av skador i liten omfattning.The report summarizes the experiences of low noise asphalt pavements in Sweden. It is primarily focused on the asphalt-related factors that affect noise. It also considers the importance of road design when porous asphalt is used, an inventory of where the low noise pavements have been used in recent years, inspection of sections laid in the Stockholm region, annual cost, different types of low noise pavements and more. The most common term for low noise asphalt is porous asphalt, PA. Porous asphalt has high void content and high proportion of coarse aggregate (85%). This gives it a continuous pore system, which can lead water away and absorb some of the sound from the tires. The aim from the beginning was to improve road safety and traffic flow on the road during rain. Over time, the focus has shifted to low noise ability and are used today primarily to limit noise disturbance. In order to improve the resistance of porous asphalt, laid in two layers, an R&D project was started in 2010, with participation of suppliers, contractors, Swedish National Road and Transport Research Institute (VTI) and the Swedish Transport Administration. Three major test sections on high traffic roads with a speed of 90, 100 and 110 km/h have been built. They were laid 2010, 2012 and 2014 in the southern, central and northern parts of Sweden. Noise reduction has been 7–8 dB(A) for the new pavements and then reduced by 0.5–1 dB(A) per year. The durability of this porous asphalt has been good with stone loss or other damage occurring only to a small extent