Ordering a rhenium catalyst on Ag(001) through molecule-surface step interaction

In summary, our results present a comprehensive picture of the deposition and self-assembly of thermally stable rhenium com- plexes on the Ag(001) surface. All steps in the molecular growth of fac-Re(bpy)(CO)3Cl on silver rely on the availability of step edges aligned along 〈110〉. Using large-scale DFT calculations the growth hierarchy can be understood and interpreted in terms of the underlying molecular structures and the corresponding binding energies. Rearrangement of the substrate atoms is involved in the molecular cluster growth affecting the local step orientation. This promotes the formation of well-ordered struc- tures. The resulting long-range ordered 1D molecular wires are found to be the prerequisite for 2D growth resulting in long-range ordered molecular monolayers and finally for growing 3D structures. Our results show how well-designed surface mor- phology can be used to guide and control molecular self-assembly in 1D, 2D as well as 3D

Experimental Study of Lamb Waves Propagation inside an Impact Damage in the Size of the Used Wavelength

The present work is an experimental study of Lamb waves propagation in an aluminum plate with an impact damage in the size of the S0 mode wavelength. The aim of this study is to visualize the wavefield near the defect in the case of extreme diffusion, as well as the interference of the modes inside of it and their transformation. The results were obtained by applying the continuous wavelet transform (CWT) on the wavefield data recorded by two ultrasonic scanning techniques: the air coupled ultrasonic (ACU) and the Laser doppler vibrometry (LDV), to obtain a C-scan and a B-scan of the plate respectively. Space-wavenumber representations showed the behavior of Lamb waves in the plate as well as the reduction in thickness of the impacted area. The width of the latter could be estimated and the modes present at each position of the plate could be identified

Melting of orientational degrees of freedom

We use calorimetry and dilatometry under hydrostatic pressure, X-ray powder diffraction and available literature data in a series of composition-related orientationally disordered (plastic) crystals to characterize both the plastic and melting transitions and investigate relationships between associated thermodynamic properties. First, general common trends are identified: (i) The temperature range of stability of the plastic phase Tm-Tt (where Tt and Tm are the plastic and melting transition temperatures, respectively) increases with increasing pressure and (ii) both the rate of this increase, d(Tm-Tt)/dp, and the entropy change across the plastic transition analyzed as function of the ratio Tt/Tm are quite independent of the particular compound. However, the dependence of the entropy change at the melting transition on Tt/Tm at high pressures deviates from the behavior observed at normal pressure for these and other plastic crystals. Second, we find that the usual errors associated with the estimations of second-order contributions in the Clausius-Clapeyron equation are high and thus these terms can be disregarded in practice. Instead, we successfully test the validity of the Clausius-Clapeyron equation at high pressure from direct measurements

Prevalence and correlates of gout in a large cohort of patients with chronic kidney disease: the German Chronic Kidney Disease (GCKD) study

Background: Reduced kidney function is a risk factor for hyperuricaemia and gout, but limited information on the burden of gout is available from studies of patients with chronic kidney disease (CKD). We therefore examined the prevalence and correlates of gout in the large prospective observational German Chronic Kidney Disease (GCKD) study. Methods: Data from 5085 CKD patients aged 18–74 years with an estimated glomerular filtration rate (eGFR) of 30–<60 mL/min/1.73 m2 or eGFR ≥60 and overt proteinuria at recruitment and non-missing values for self-reported gout, medications and urate measurements from a central laboratory were evaluated. Results: The overall prevalence of gout was 24.3%, and increased from 16.0% in those with eGFR ≥60 mL/min/1.73 m2 to 35.6% in those with eGFR <30. Of those with self-reported gout, 30.7% of individuals were not currently taking any gout medication and among gout patients on urate lowering therapy, 47.2% still showed hyperuricaemia. Factors associated with gout were serum urate, lower eGFR, advanced age, male sex, higher body mass index and waist-to-hip ratio, higher triglyceride and C-reactive protein (CRP) concentrations, alcohol intake and diuretics use. While lower eGFR categories showed significant associations with gout in multivariable-adjusted models (prevalence ratio 1.46 for eGFR <30 compared with eGFR ≥60, 95% confidence interval 1.21–1.77), associations between gout and higher urinary albumin-to-creatinine ratio in this CKD population were not significant. Conclusions: Self-reported gout is common among patients with CKD and lower GFR is strongly associated with gout. Pharmacological management of gout in patients with CKD is suboptimal. Prospective follow-up will show whether gout and hyperuricaemia increase the risk of CKD progression and cardiovascular events in the GCKD study