Comparison of short-range-order in liquid- and rotator-phase states of a simple molecular liquid: A reverse Monte Carlo and molecular dynamics analysis of neutron diffraction data

6 págs.; 6 figs.; 1 tab. ; PACS number s : 61.25.Em, 61.20. p, 61.43. j, 61.12. qThe short-range order (SRO) correlations in liquid- and rotator-phase states of carbon tetrachloride are revisited here. The correlation of some angular magnitudes is used to evaluate the positional and orientational correlations in the liquid as well as in the rotator phase. The results show significant similitudes in the relative position of the molecules surrounding a central one but striking differences in their relative orientations, which could explain the changes in SRO between the two phases and the puzzling behavior of the local density in the liquid and rotator phases. © 2007 The American Physical Society.We would also like to acknowledge “Generalitat de Catalunya” Project No. 2005SGR- 00535 and MEC Project No. FIS2005-00975 for partial support of this work.Peer Reviewe

A feasibility study for a circular approach in oil refining: Metals recovery from hydrodesulphurization catalysts

The paper deals with a profitability analysis developed for a plant that recycles spent hydrodesulphurization (HDS) catalysts. Such catalysts contain molybdenum (Mo), nickel (Ni), and vanadium (V), supported by an alumina (Al2O3) carrier. The recycling process is based on a double thermal pre-treatment stage, followed by a series of hydrometallurgical steps that allow recovering Mo and V and a Ni concentrate that need further refining for separation and recovery of the metals. The economic analysis is based on the discounted cash flow method, and the baseline case analyses show that the net present value (NPV) is 14,877 thousand EUR. The selling price of vanadium pentoxide strongly influences the results. Alternative scenarios are also studied to strengthen the results obtained, considering the sensitivity, scenario and risk analyses. Profitability is confirmed in 87% of the considered scenarios, and in about 81.5%, the NPV of the baseline scenario is achieved. Circular economy models can be realized if products are recovered and if there are technologies that can recover metals. This study confirms that an example of a circular economy is met from the proposed viability analysis, and the economic benefits can be significant

Experimental evidence of a cluster-glass transition on the colossal magnetoresistance manganite La0.7Pb0.3(Mn0.9Fe0.1)O3

4 págs.; 3 figs. ; PACS numberssd: 75.40.2s, 75.47.2m, 61.12.Ex, 61.46.1wNeutron small angle scattering on a colossal magnetoresistance material shows clear signatures of a rise in characteristic length of paramagnetic fluctuations as the maximum of dc susceptibility is approached from high temperatures. The phenomenon is accompanied by a rise in intensity of a broad peak that appears at wave vectors of ≈ 0.025-1, and this is interpreted as a fingerprint of the onset of ferromagnetic ordering due to intercluster magnetic interactions. © 2005 The American Physical Society.Peer Reviewe

Cross-Calibration of S-NPP VIIRS Moderate Resolution Reflective Solar Bands Against MODIS Aqua over Dark Water Scenes

The Visible Infrared Imaging Radiometer Suite (VIIRS) is being used to continue the record of Earth Science observations and data products produced routinely from National Aeronautics and Space Administration (NASA) Moderate Resolution Imaging Spectroradiometer (MODIS) measurements. However, the absolute calibration of VIIRS's reflected solar bands is thought to be biased, leading to offsets in derived data products such as aerosol optical depth (AOD) as compared to when similar algorithms are applied to different sensors. This study presents a cross-calibration of these VIIRS bands against MODIS Aqua over dark water scenes, finding corrections to the NASA VIIRS Level 1 (version 2) reflectances between approximately +1 and 7 % (dependent on band) are needed to bring the two into alignment (after accounting for expected differences resulting from different band spectral response functions), and indications of relative trending of up to 0.35 % per year in some bands. The derived calibration gain corrections are also applied to the VIIRS reflectance and then used in an AOD retrieval, and they are shown to decrease the bias and total error in AOD across the mid-visible spectral region compared to the standard VIIRS NASA reflectance calibration. The resulting AOD bias characteristics are similar to those of NASA MODIS AOD data products, which is encouraging in terms of multi-sensor data continuity

a solution to smoluchowski s coagulation equation based on experimental data and a model to describe the frequency of particle collisions

Use of coagulants in treatment of wastewater from food industry is one of the most promising techniques to establish environment-friendly industries. To date, however, the coagulation process is not yet fully described in a manner which is conducive to practical applications and results. In fact, the coagulation process theoretical basis, i.e. the classical Smoluchowski's equation published in 1916, is so complex to solve that virtually no practical application exists in the field of applied chemistry. This article illustrates the Authors' endeavor to overcome this impasse. This has been achieved by constructing a mathematical model of the guiding force in the phenomenon, i.e. the frequency of particles collisions, and then utilizing this model to define, starting from Smoluchowski's equation, a function which describes both the coagulation and sedimentation processes depending on space (vertical coordinate z) and the concentration of coagulant. This study can be considered as the first step of a methodology of practical application of the Smoluchowski's equation to process and equipment design

Chromium(III) biosorption onto spent grains residual from brewing industry : equilibrium, kinetics and column studies

The use of industrial wastes for wastewater treatment as a strategy to their re-use and valorisation may provide important advances toward sustainability. The present work gives new insights into heavy metal biosorption onto low-cost biosorbents, studying chromium(III) biosorption onto spent grains residual from a Portuguese brewing industry both in batch and expanded bed column systems. Experimental studies involved unmodified spent grains and spent grains treated with NaOH. Metal uptake followed a rapid initial step, well described by the pseudo-second-order kinetic model up to 27 h, indicating chemisorption to be the rate-limiting step. Beyond this period intraparticle diffusion assumed an important role in the uptake global kinetics. The best fit for equilibrium data was obtained using the Langmuir model, with unmodified spent grains having the higher maximum uptake capacity (q max = 16.7 mg g1). In open system studies, using expanded bed columns, the best performance was also achieved with unmodified spent grains: Breakthrough time (C/C i = 0.25) and total saturation time (C/C i = 0.99) occurred after 58 and 199 h of operation, corresponding to the accumulation of 390 mg of chromium(III), 43.3 % of the total amount entering the column. These results suggest that alkali treatment does not improve spent grains uptake performance. Changes in biomass composition determined by Fourier transform infrared spectroscopy suggested hydroxyl groups and proteins to have an important role in chromium(III) biosorption. This study points out that unmodified spent grains can be successfully used as low-cost biosorbent for trivalent chromium.The authors would like to thank the Portuguese brewing industry UNICER for all the support and FCT (Fundacao para a Ciencia e a Tecnologia) financial support through the Grant PRAXIS XXI/BD/15945/98

MASked-unconTrolled hypERtension management based on office BP or on ambulatory blood pressure measurement (MASTER) Study: a randomised controlled trial protocol.

Masked uncontrolled hypertension (MUCH) carries an increased risk of cardiovascular (CV) complications and can be identified through combined use of office (O) and ambulatory (A) blood pressure (BP) monitoring (M) in treated patients. However, it is still debated whether the information carried by ABPM should be considered for MUCH management. Aim of the MASked-unconTrolled hypERtension management based on OBP or on ambulatory blood pressure measurement (MASTER) Study is to assess the impact on outcome of MUCH management based on OBPM or ABPM

Polarity, cell division, and out-of-equilibrium dynamics control the growth of epithelial structures

The growth of a well-formed epithelial structure is governed by mechanical constraints, cellular apico-basal polarity, and spatially controlled cell division. Here we compared the predictions of a mathematical model of epithelial growth with the morphological analysis of 3D epithelial structures. In both in vitro cyst models and in developing epithelial structures in vivo, epithelial growth could take place close to or far from mechanical equilibrium, and was determined by the hierarchy of time-scales of cell division, cell-cell rearrangements, and lumen dynamics. Equilibrium properties could be inferred by the analysis of cell-cell contact topologies, and the nonequilibrium phenotype was altered by inhibiting ROCK activity. The occurrence of an aberrant multilumen phenotype was linked to fast nonequilibrium growth, even when geometric control of cell division was correctly enforced. We predicted and verified experimentally that slowing down cell division partially rescued a multilumen phenotype induced by altered polarity. These results improve our understanding of the development of epithelial organs and, ultimately, of carcinogenesi

miRNAs at the heart of the matter

Cardiovascular disease is among the main causes of morbidity and mortality in developed countries. The pathological process of the heart is associated with altered expression profile of genes that are important for cardiac function. MicroRNAs (miRNAs) have emerged as one of the central players of gene expression regulation. The implications of miRNAs in the pathological process of cardiovascular system have recently been recognized, representing the most rapidly evolving research field. Here, we summarize and analyze the currently available data from our own laboratory and other groups, providing a comprehensive overview of miRNA function in the heart, including a brief introduction of miRNA biology, expression profile of miRNAs in cardiac tissue, role of miRNAs in cardiac hypertrophy and heart failure, the arrhythmogenic potential of miRNAs, the involvement of miRNAs in vascular angiogenesis, and regulation of cardiomyocyte apoptosis by miRNAs. The target genes and signaling pathways linking the miRNAs to cardiovascular disease are highlighted. The applications of miRNA interference technologies for manipulating miRNA expression, stability, and function as new strategies for molecular therapy of human disease are evaluated. Finally, some specific issues related to future directions of the research on miRNAs relevant to cardiovascular disease are pinpointed and speculated

Plasma levels of matrix metalloproteinase-2, -3, -10, and tissue inhibitor of metalloproteinase-1 are associated with vascular complications in patients with type 1 diabetes: The EURODIAB Prospective Complications Study

Impaired regulation of extracellular matrix remodeling by matrix metalloproteinases (MMPs) and tissue inhibitor of metalloproteinase (TIMP) may contribute to vascular complications in patients with type 1 diabetes. We investigated associations between plasma MMP-1, -2, -3, -9, -10 and TIMP-1, and cardiovascular disease (CVD) or microvascular complications in type 1 diabetic patients. We also evaluated to which extent these associations could be explained by low-grade inflammation (LGI) or endothelial dysfunction (ED). Methods: 493 type 1 diabetes patients (39.5 ± 9.9 years old, 51% men) from the EURODIAB Prospective Complications Study were included. Linear regression analysis was applied to investigate differences in plasma levels of MMP-1, -2, -3, -9, -10, and TIMP-1 between patients with and without CVD, albuminuria or retinopathy. All analyses were adjusted for age, sex, duration of diabetes, Hba1c and additionally for other cardiovascular risk factors including LGI and ED. Results: Patients with CVD (n = 118) showed significantly higher levels of TIMP-1 [β = 0.32 SD (95%CI: 0.12; 0.52)], but not of MMPs, than patients without CVD (n = 375). Higher plasma levels of MMP-2, MMP-3, MMP-10 and TIMP-1 were associated with higher levels of albuminuria (p-trends were 0.028, 0.004, 0.005 and 0.001, respectively). Severity of retinopathy was significantly associated with higher levels of MMP-2 (p-trend = 0.017). These associations remained significant after further adjustment for markers of LGI and ED. Conclusions: These data support the hypothesis that impaired regulation of matrix remodeling by actions of MMP-2, -3 and-10 and TIMP-1 contributes to the pathogenesis of vascular complications in type 1 diabetes