Transformation-Optics Description of Nonlocal Effects in Plasmonic Nanostructures

We develop an insightful transformation-optics approach to investigate the impact that nonlocality has on the optical properties of plasmonic nanostructures. The light-harvesting performance of a dimer of touching nanowires is studied by using the hydrodynamical Drude model, which reveals nonlocal resonances not predicted by previous local calculations. Our method clarifies the interplay between radiative and nonlocal effects in this nanoparticle configuration, which enables us to elucidate the optimum size that maximizes its absorption and field enhancement capabilitiesThis work was supported by the ESF plasmonbionanosense program, the Leverhulme Trust, and the Engineering and Physical Sciences Research Council (EPSRC

Bayesian variable selection and survival modeling: assessing the Most important comorbidities that impact lung and colorectal cancer survival in Spain

ancer survival represents one of the main indicators of interest in cancer epidemiology. However, the survival of cancer patients can be affected by several factors, such as comorbidities, that may interact with the cancer biology. Moreover, it is interesting to understand how different cancer sites and tumour stages are affected by different comorbidities. Identifying the comorbidities that affect cancer survival is thus of interest as it can be used to identify factors driving the survival of cancer patients. This information can also be used to identify vulnerable groups of patients with comorbidities that may lead to worst prognosis of cancer. We address these questions and propose a principled selection and evaluation of the effect of comorbidities on the overall survival of cancer patients. In the first step, we apply a Bayesian variable selection method that can be used to identify the comorbidities that predict overall survival. In the second step, we build a general Bayesian survival model that accounts for time-varying effects. In the third step, we derive several posterior predictive measures to quantify the effect of individual comorbidities on the population overall survival. We present applications to data on lung and colorectal cancers from two Spanish population-based cancer registries. The proposed methodology is implemented with a combination of the R-packages mombf and rstan. We provide the code for reproducibility at https://github.com/migariane/BayesVarImpComorbiCancer

Amino-acid sequence and three-dimensional structure of the Staphylococcus aureus metalloproteinase at 1.72 å resolution

AbstractBackground: Aureolysin is an extracellular zinc-dependent metalloproteinase from the pathogenic bacterium Staphylococcus aureus. This enzyme exhibits in vitro activity against several molecules of biological significance for the host, indicating that it is involved in the pathology of staphylococcal diseases.Results: Here we report the amino-acid sequence and inhibitor-free X-ray crystal structure of aureolysin, a member of the thermolysin family of zinc-dependent metalloproteinases. This enzyme, which binds one zinc and three calcium ions, comprises a single chain of 301 amino acids that consists of a β-strand-rich upper domain and an α-helix-rich lower domain.Conclusions: The overall structure of aureolysin is very similar to that of the other three members of this family whose structures are known – thermolysin (TLN) from Bacillus thermoproteolyticus, neutral protease (NP) from Bacillus cereus and elastase (PAE) from Pseudomonas aeruginosa. But an important difference has been encountered: in contrast to what has been observed in the other three members of this family (TLN, NP and PAE), inhibitor-free aureolysin displays a ‘closed’ active site cleft conformation. This new structure therefore raises questions about the universality of the hinge-bending motion model for the neutral metalloproteinases

Influence of pH and Temperature on Struvite Purity and Recovery from Anaerobic Digestate

The precipitation of struvite (MgNH4PO4.6H2O) from wastewater streams simultaneosuly recovers nitrogen (N) and phosphorus (P) for reuse as fertilisers. Struvite crystallisation is controlled by pH, saturation index, temperature and other ions in the solution (e.g., Ca2+, Mg2+ and CO32−). This work studies the effect of pH and temperature on phosphorus and nitrogen removal via struvite precipitation and the quality of the resulting precipitate product (i.e., crystal size, morphology and purity). Struvite was precipitated in batch reactors from the supernatant produced during anaerobic sludge dewatering at a wastewater treatment works, under controlled pH (8, 9 and 10) and temperature (25, 33 and 40 °C) conditions. The optimal P removal as struvite, reduction of the co-precipitation with Ca and the increase in particle size of the struvite precipitates were determined. The results showed that temperatures of 33 °C and 40 °C are not recommended for struvite precipitation—i.e., at 33 °C the purity is lower, and at 40 °C the ammonia losses are induced by volatilisation. At all pH-tests, the P removal efficiency was >93%, but the highest phosphate content and purity as struvite were obtained at a pH of 9.0. The optimum pH and temperature for the formation of large crystals (84 µm) and a high purity (>70%) of the struvite precipitates were 9 and 25 °C, respectively

LiNi0.5Mn1.5O4 Thin Films Grown by Magnetron Sputtering under Inert Gas Flow Mixtures as High-Voltage Cathode Materials for Lithium-Ion Batteries

Delivering a commercial high-voltage spinel LiNi0.5Mn1.5O4 (LNMO) cathode electrode for Li-ion batteries would result in a significant step forward in terms of energy density. However, the structural ordering of the spinel and particle size have considerable effects on the cathode material's cyclability and rate capability, which are crucial challenges to address. Here, a novel mid-frequency alternating current dual magnetron sputtering method was presented, using different Ar-N-2 gas mixtures ratios for the process gas to prepare various LNMO thin films with highly controlled morphology and particle size; as determined from X-ray diffraction, Raman spectroscopy and electron microscopy. It resulted in enhanced cycling and rate performance. This processing method delivered N-containing LNMO thin film electrodes with up to 15 % increased discharge capacity at 1 C (120 mAh g(-1)) with respect to standard LNMO (grown under only Ar gas flow) thin film electrodes, along with outstanding rate performance up to 10 C (99 mAh g(-1)) in the operating voltage window 3.5-4.85 V vs. Li+/Li. Besides, electrochemical impedance spectroscopy results showed that the intricate phase transitions present in standard LNMO electrodes were almost suppressed in N-containing LNMO thin films grown under different Ar-N-2 gas flow mixtures

Microwave-assisted hydrolysis and extraction of tricyclic antidepressants from human hair

The objective of this research was to develop, optimize, and validate a modern, rapid method of preparation of human hair samples, using microwave irradiation, for analysis of eight tricyclic antidepressants (TCADs): nordoxepin, nortriptyline, imipramine, amitriptyline, doxepin, desipramine, clomipramine, and norclomipramine. It was based on simultaneous alkaline hair microwave-assisted hydrolysis and microwave-assisted extraction (MAH–MAE). Extracts were analyzed by high-performance liquid chromatography with diode-array detection (HPLC–DAD). A mixture of n-hexane and isoamyl alcohol (99:1, v/v) was used as extraction solvent and the process was performed at 60°C. Application of 1.0 mol L−1 NaOH and microwave irradiation for 40 min were found to be optimum for hair samples. Limits of detection ranged from 0.3 to 1.2 μg g−1 and LOQ from 0.9 to 4.0 μg g−1 for the different drugs. This enabled us to quantify them in hair samples within average therapeutic concentration ranges

Tailoring block copolymer nanoporous thin films with acetic acid as a small guest molecule

Block copolymers offer the fabrication of mesoporous thin films with distinct nanoscale structural features. In this contribution, we present the use of acetic acid (CH3COOH) as a low‐molecular‐weight guest molecule to tune the supramolecular assembly of poly[styrene‐block‐(4‐vinylpyridine)] (PS‐b‐P4VP), offering a versatile and straightforward method to obtain tailored nanostructured films with controlled topography and pore size. Spin‐coating toluene solutions of PS‐b‐P4VP, with a variable amount of CH3COOH, leads to micellar thin films, where the micelles contain the carboxylic acid as a guest molecule. The size can be conveniently modified in these films (from 48 to 75 nm) by varying the amount of organic acid in the starting solutions. Subsequent surface reconstruction of micellar films using ethanol leads to ring‐shaped copolymer nanoporous films with modulated diameter. Controlling the micelle reconstruction process, cylindrical porous films are also obtained. Interestingly, changing the type of aliphatic carboxylic acid leads to a modification of the observed film morphology from micelles to out‐of‐plane P4VP cylinders (or lamellae) in a PS matrix

Disclosure of cholesterol recognition motifs in transmembrane domains of the human nicotinic acetylcholine receptor

Cholesterol influences ion-channel function, distribution and clustering in the membrane, endocytosis, and exocytic sorting of the nicotinic acetylcholine receptor (AChR). We report the occurrence of a cholesterol recognition motif, here coined “CARC”, in the transmembrane regions of AChR subunits that bear extensive contact with the surrounding lipid, and are thus optimally suited to convey cholesterol-mediated signaling from the latter. Three cholesterol molecules could be docked on the transmembrane segments of each AChR subunit, rendering a total of 15 cholesterol molecules per AChR molecule. The CARC motifs contribute each with an energy of interaction between 35 and 52 kJ.mol−1, adding up to a total of about 200 kJ.mol−1 per receptor molecule, i.e. ∼40% of the lipid solvation free energy/ AChR molecule. The CARC motif is remarkably conserved along the phylogenetic scale, from prokaryotes to human, suggesting that it could be responsible for some of the above structural/functional properties of the AChR

Fish composition in the Guadiamar River basin after one of the worst mining spills in Europe

On 25 April 1998, the tailing pond of the Los Frailes mine in Aznalcollar (Seville, Spain) ruptured, causing one of the most harmful environmental disasters in Europe in recent decades. Through the crack, 6 hm3 of acidic water and metallic mud were spilt, defaunating a large area of the Guadiamar River. After the spill cleanup and habitat restoration, multiple anthropogenic impacts continued to degrade the affected area. This work aimed to provide the most updated list of fish species in the Guadiamar River basin after the spill. Data were collected between 1999 and 2011 by electrofishing, light-traps, minnow-traps and multimesh gill-nests in 78 sampling sites. Species richness values for both native and exotic species in the Guadiamar River basin were high when compared with values for other right bank tributaries of the Guadalquivir River. This may be due to direct contact with the mouth of the Guadalquivir, which allowed the presence of migratory species. It may also be due to its location in the lower part of the Guadalquivir River basin, where exotic species accumulated. Among the Guadiamar River basin species, Luciobarbus sclateri and Squalius alburnoides have the widest distribution. The former is a generalist species resistant to unfavourable habitat changes, and the latter has a very successful breeding strategy. However, when focused on the affected area, there was a marked increase in exotic species, and both pumpkinseed (Lepomis gibbosus) and carp (Cyprinus carpio) co-dominated together with the native L. sclateri and S. alburnoides. The distribution of species within the river basin suggests that the upper section (except the Agrio reservoir) and middle section tributaries may be acting as native species shelters, while the affected area becomes an exotic species source. This information should be useful for monitoring future changes in the species composition and for management planning measures

Summarizing and communicating on survival data according to the audience: a tutorial on different measures illustrated with population-based cancer registry data

Aurélien Belot, Aminata Ndiaye, Miguel-Angel Luque-Fernandez, Dimitra-Kleio Kipourou, Camille Maringe, Francisco Javier Rubio, Bernard Rachet Cancer Survival Group, Department of Non-Communicable Disease Epidemiology, Faculty of Epidemiology and Population Health, London School of Hygiene and Tropical Medicine, London, UK Abstract: Survival data analysis results are usually communicated through the overall survival probability. Alternative measures provide additional insights and may help in communicating the results to a wider audience. We describe these alternative measures in two data settings, the overall survival setting and the relative survival setting, the latter corresponding to the particular competing risk setting in which the cause of death is unavailable or unreliable. In the overall survival setting, we describe the overall survival probability, the conditional survival probability and the restricted mean survival time (restricted to a prespecified time window). In the relative survival setting, we describe the net survival probability, the conditional net survival probability, the restricted mean net survival time, the crude probability of death due to each cause and the number of life years lost due to each cause over a prespecified time window. These measures describe survival data either on a probability scale or on a timescale. The clinical or population health purpose of each measure is detailed, and their advantages and drawbacks are discussed. We then illustrate their use analyzing England population-based registry data of men 15–80 years old diagnosed with colon cancer in 2001–2003, aiming to describe the deprivation disparities in survival. We believe that both the provision of a detailed example of the interpretation of each measure and the software implementation will help in generalizing their use. Keywords: survival, competing risks, relative survival setting, conditional survival, restricted mean survival time, net survival, crude probability of death, number of life years los