Spreading Dynamics of Polymer Nanodroplets

The spreading of polymer droplets is studied using molecular dynamics simulations. To study the dynamics of both the precursor foot and the bulk droplet, large drops of ~200,000 monomers are simulated using a bead-spring model for polymers of chain length 10, 20, and 40 monomers per chain. We compare spreading on flat and atomistic surfaces, chain length effects, and different applications of the Langevin and dissipative particle dynamics thermostats. We find diffusive behavior for the precursor foot and good agreement with the molecular kinetic model of droplet spreading using both flat and atomistic surfaces. Despite the large system size and long simulation time relative to previous simulations, we find no evidence of hydrodynamic behavior in the spreading droplet.Comment: Physical Review E 11 pages 10 figure

Infection control in dental health care during and after the SARS-CoV-2 outbreak

COVID-19 is an emerging infectious disease caused by the widespread transmission of the coronavirus SARS-CoV-2. Some of those infected become seriously ill. Others do not show any symptoms, but can still contribute to transmission of the virus. SARS-CoV-2 is excreted in the oral cavity and can be spread via aerosols. Aerosol generating procedures in dental health care can increase the risk of transmission of the virus. Due to the risk of infection of both dental healthcare workers and patients, additional infection control measures for all patients are strongly recommended when providing dental health care. Consideration should be given to which infection control measures are necessary when providing care in both the current situation and in the future

Dynamics of liquid He-4 in confined geometries from Time-Dependent Density Functional calculations

We present numerical results obtained from Time-Dependent Density Functional calculations of the dynamics of liquid He-4 in different environments characterized by geometrical confinement. The time-dependent density profile and velocity field of He-4 are obtained by means of direct numerical integration of the non-linear Schrodinger equation associated with a phenomenological energy functional which describes accurately both the static and dynamic properties of bulk liquid He-4. Our implementation allows for a general solution in 3-D (i.e. no symmetries are assumed in order to simplify the calculations). We apply our method to study the real-time dynamics of pure and alkali-doped clusters, of a monolayer film on a weakly attractive surface and a nano-droplet spreading on a solid surface.Comment: q 1 tex file + 9 Ps figure

Річард Смоллі і знамениті «десять вересневих днів»

У вересні цього року виповнюється 27 років, як було відкрито фулерен — нову сфероподібну форму вуглецю. Ця подія буквально приголомшила вчених, які на той час вважали, що про елементарний вуглець їм відомо практично все. Історія відкриття цієї речовини досить незвичайна. Ще в 1971 р. можливість існування молекули фулерену була передбачена японським ученим Е. Осавою (E. Osawa), за два роки радянські хіміки-теоретики Д.А. Бочвар і О.Г. Гальперн квантово-хімічними розрахунками підтвердили стабільність молекули С60, і лише у 1985 р. Р. Смоллі, Р. Керл та Г. Крото експериментально отримали кластери із 60 атомів вуглецю в стійкій формі, яку вони пояснили структурою молекули у вигляді футбольного м’яча. Натхненнику цього відкриття, видатному вченому, нобелівському лауреату, активному популяризатору нанотехнологій Річарду Смоллі присвячено цей матеріал.В сентябре этого года исполняется 27 лет с момента открытия фуллерена — новой сферообразной формы углерода. Это событие буквально потрясло ученых, которые в то время считали, что об элементарном углероде им известно практически все. История открытия этого вещества довольно необычна. Еще в 1971 г. возможность су ществования молекулы фуллерена была предсказана японским ученым Е. Осавой (E. Osawa), через два года советские химики-теоретики Д.А. Бочвар и Е.Г. Гальперн с помощью квантово-химических расчетов подтвердили стабильность молекулы С60, и только в 1985 г. Р. Смолли, Р. Керл и Г. Крото экспериментально получили кластеры из 60 атомов углерода в устойчивой форме, которую они объяснили структурой молекулы в виде футбольного мяча. Вдохновителю этого открытия, выдающемуся ученому, нобелевскому лауреату, активному популяризатору нанотехнологий Ричарду Смолли посвящен этот материал.27 years since the discovery of fullerene, the new form of carbon, is observed in September of this year. This event has literally shocked scientists, who believed at that time that they know almost everything about the elementary carbon. History of this discovery is rather unusual. Long ago, in 1971 the possibility of the existence of a fullerene molecule was predicted by an young Japanese scientist E. Osawa. Then two Soviet chemists and theorists D.A. Bochvar and E.G. Hal pern confirm the stability of the C60 molecule using quantum chemical calculations, and in 1985 at last R. Smalley, R. Curl and H. Kroto experimentally obtained clusters of 60 carbon atoms in a sustainable form. They explained the structure of this molecule as the structure of a soccer ball. This material is devoted to the inspirer of this discovery, an outstanding scientist, Nobel laureate, active popularizer of nanotechnology — Richard Smalley

Including albedo in time-dependent LCA of bioenergy

Albedo change during feedstock production can substantially alter the life cycle climate impact of bioenergy. Life cycle assessment (LCA) studies have compared the effects of albedo and greenhouse gases (GHGs) based on global warming potential (GWP). However, using GWP leads to unequal weighting of climate forcers that act on different timescales. In this study, albedo was included in the time-dependent LCA, which accounts for the timing of emissions and their impacts. We employed field-measured albedo and life cycle emissions data along with time-dependent models of radiative transfer, biogenic carbon fluxes and nitrous oxide emissions from soil. Climate impacts were expressed as global mean surface temperature change over time ( increment T) and as GWP. The bioenergy system analysed was heat and power production from short-rotation willow grown on former fallow land in Sweden. We found a net cooling effect in terms of increment T per hectare (-3.8 x 10(-11) K in year 100) and GWP(100) per MJ fuel (-12.2 g CO(2)e), as a result of soil carbon sequestration via high inputs of carbon from willow roots and litter. Albedo was higher under willow than fallow, contributing to the cooling effect and accounting for 34% of GWP(100), 36% of increment T in year 50 and 6% of increment T in year 100. Albedo dominated the short-term temperature response (10-20 years) but became, in relative terms, less important over time, owing to accumulation of soil carbon under sustained production and the longer perturbation lifetime of GHGs. The timing of impacts was explicit with increment T, which improves the relevance of LCA results to climate targets. Our method can be used to quantify the first-order radiative effect of albedo change on the global climate and relate it to the climate impact of GHG emissions in LCA of bioenergy, alternative energy sources or land uses

Alcohol consumption and common carotid intima-media thickness: the USE-IMT study

Aims: Epidemiological evidence indicates a protective effect of light to moderate alcohol consumption compared to non-drinking and heavy drinking. Although several mechanisms have been suggested, the effect of alcohol on atherosclerotic changes in vessel walls is unclear. Therefore, we explored the relationship between alcohol consumption and common carotid intima media thickness, a marker of early atherosclerosis in the general population. Methods: Individual participant data from eight cohorts, involving 37,494 individuals from the USE-IMT collaboration were used. Multilevel age and sex adjusted linear regression models were applied to estimate mean differences in common carotid intima-media thickness (CIMT) with alcohol consumption. Results: The mean age was 57.9 years (SD 8.6) and the mean CIMT was 0.75 mm (SD 0.177). About, 40.5% reported no alcohol consumed, and among those who drank, mean consumption was 13.3 g per day (SD 16.4). Those consuming no alcohol or a very small amount (10 g per day, after adjusting for a range of confounding factors. Conclusion: In this large CIMT consortium, we did not find evidence to support a protective effect of alcohol on CIMT

Common carotid intima media thickness and ankle-brachial pressure index correlate with local but not global atheroma burden:a cross sectional study using whole body magnetic resonance angiography

Common carotid intima media thickness (CIMT) and ankle brachial pressure index (ABPI) are used as surrogate marker of atherosclerosis, and have been shown to correlate with arterial stiffness, however their correlation with global atherosclerotic burden has not been previously assessed. We compare CIMT and ABPI with atheroma burden as measured by whole body magnetic resonance angiography (WB-MRA).50 patients with symptomatic peripheral arterial disease were recruited. CIMT was measured using ultrasound while rest and exercise ABPI were performed. WB-MRA was performed in a 1.5T MRI scanner using 4 volume acquisitions with a divided dose of intravenous gadolinium gadoterate meglumine (Dotarem, Guerbet, FR). The WB-MRA data was divided into 31 anatomical arterial segments with each scored according to degree of luminal narrowing: 0 = normal, 1 = <50%, 2 = 50-70%, 3 = 70-99%, 4 = vessel occlusion. The segment scores were summed and from this a standardized atheroma score was calculated.The atherosclerotic burden was high with a standardised atheroma score of 39.5±11. Common CIMT showed a positive correlation with the whole body atheroma score (β 0.32, p = 0.045), however this was due to its strong correlation with the neck and thoracic segments (β 0.42 p = 0.01) with no correlation with the rest of the body. ABPI correlated with the whole body atheroma score (β -0.39, p = 0.012), which was due to a strong correlation with the ilio-femoral vessels with no correlation with the thoracic or neck vessels. On multiple linear regression, no correlation between CIMT and global atheroma burden was present (β 0.13 p = 0.45), while the correlation between ABPI and atheroma burden persisted (β -0.45 p = 0.005).ABPI but not CIMT correlates with global atheroma burden as measured by whole body contrast enhanced magnetic resonance angiography in a population with symptomatic peripheral arterial disease. However this is primarily due to a strong correlation with ilio-femoral atheroma burden

The plasma proteome is linked with left ventricular and left atrial function parameters in patients with chronic heart failure

Aims: Examining the systemic biological processes in the heterogeneous syndrome of heart failure with reduced ejection fraction (HFrEF), as reflected by circulating proteins, in relation to echocardiographic characteristics, may provide insights into heart failure pathophysiology. We investigated the link of 4210 repeatedly measured circulating proteins with repeatedly measured echocardiographic parameters as well as with elevated left atrial pressure (LAP), in patients with HFrEF, to provide insights into underlying mechanisms. Methods and results: In 173 patients with HFrEF, we performed 6-monthly echocardiography and trimonthly blood sampling during a median follow-up of 2.7 (inter-quartile range: 2.5-2.8) years. We investigated circulating proteins in relation to echocardiographic parameters of left ventricular [left ventricular ejection fraction (LVEF), global longitudinal strain (GLS)] and left atrial function [left atrial reservoir strain (LASr)] and elevated LAP (E/eʹratio &gt;15) and used gene enrichment analyses to identify underlying pathophysiological processes. We found 723, 249, 792, and 427 repeatedly measured proteins, with significant associations with LVEF, GLS, LASr, and E/eʹratio, respectively. Proteins associated with LASr reflected pathophysiological mechanisms mostly related to the extracellular matrix. Proteins associated with GLS reflected cardiovascular biological processes and diseases, whereas those associated with LVEF reflected processes involved in the sympathetic nervous system. Moreover, 49 proteins were associated with elevated LAP; after correction for LVEF, three proteins remained: cystatin-D, fibulin-5, and HSP40. Conclusion: Circulating proteins show varying associations with different echocardiographic parameters in patients with HFrEF. These findings suggest that pathways involved in atrial and ventricular dysfunction, as reflected by the plasma proteome, are distinct.</p