Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets

A novel microscopic mechanism of bi-directional structural changes is proposed for the photo-induced magnetic phase transition in Co-Fe Prussian blue analogues on the basis of ab initio quantum chemical cluster calculations. It is shown that the local potential energies of various spin states of Co are sensitive to the number of nearest neighbor Fe vacancies. As a result, the forward and backward structural changes are most readily initiated by excitation of different local regions by different photons. This mechanism suggests an effective strategy to realize photoinduced reversible phase transitions in a general system consisting of two local components.Comment: 4 pages, LaTex, 3 figures, to appear in Phys. Rev. Let

Epidemiology of biliary tract cancers: an update

Background: Biliary tract cancer (BTC) is a rare cancer in Europe and North America, characterized by wide geographic variation, with high incidence in some areas of Latin America and Asia. Materials and methods: BTC mortality and incidence have been updated according to recent data, using joinpoint regression analysis. Results: Since the 1980s, decreasing trends in BTC mortality rates (age-standardized, world standard population) were observed in the European Union as a whole, in Australia, Canada, Hong Kong, Israel, New Zealand, and the United States, and high-risk countries such as Japan and Venezuela. Joinpoint regression analysis indicates that decreasing trends were more favorable over recent calendar periods. High-mortality rates are, however, still evident in central and eastern Europe (4-5/100 000 women), Japan (4/100 000 women), and Chile (16.6/100 000 women). Incidence rates identified other high-risk areas in India (8.5/100 000 women), Korea (5.6/100 000 women), and Shanghai, China (5.2/100 000 women). Conclusions: The decreasing BTC mortality trends essentially reflect more widespread and earlier adoption of cholecystectomy in several countries, since gallstones are the major risk factor for BTC. There are, however, high-risk areas, mainly from South America and India, where access to gall-bladder surgery remains inadequat

Coordination Polymers based on calixarene derivatives: Structures and properties

© 2017 Elsevier B.V. The solid-state structures of 1D–3D Coordination Polymers based on the macrocyclic calixarene backbone have been reviewed, based on the chemical nature of appended substituents on the macrocycle platform. The coordination propensity of this class of ligands is analysed, taking into account the different coordinating atoms/groups that can be located on the macrocyclic ligand: (1) the unmodified inherently coordinating thiacalix[4]arene with the S bridges as donor atoms; (2) different conformations of calix[n] arene units, with appended O donor atoms; (3) the chemical modification of the upper rim of calix[n]arenes and thiacalix[n] arenes, with coordinating groups, in particular the use of the sulfonate groups; (4) calix[4]arenes, thiacalix[4] arenes and tetramercaptothiacalix[4]rene that have been modified at their lower rim (mono, di and tetra substitution) with coordinating groups like cyano, carboxylate, pyridyl and pyrazolyl groups. All the formed coordination networks have been described. A special attention has been drawn to the structural and functional properties of these extended networks: magnetic, luminescence, adsorption and catalytic properties. Perspectives and future challenges in this emerging field are also discussed

Rapeseed or linseed in dairy cow diets over 2 consecutive lactations:Effects on adipose fatty acid profile and carry-over effects on milk fat composition in subsequent early lactation

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Electron scattering from molecules and molecular aggregates of biological relevance

In this Topical Review we survey the current state of the art in the study of low energy electron collisions with biologically relevant molecules and molecular clusters. We briefly describe the methods and techniques used in the investigation of these processes and summarise the results obtained so far for DNA constituents and their model compounds, amino acids, peptides and other biomolecules. The applications of the data obtained is briefly described as well as future required developments

Sequencing and Welding of Molecular Single-Crystal Optical Waveguides

Molecular crystals are promising anisotropic optical transducing media for next-generation optoelectronic microdevices that will be capable of secure transduction of information and impervious to external electromagnetic interference. However, their full potential has not been explored yet due to their poor processability, low mechanical compliance, pronounced brittleness and high proneness to cracking that often result in irrecoverable damage. These issues are detrimental to their ability to transduce light. Here, a novel strategy is presented based on 3D epitaxial crystal growth of organic/inorganic crystals based on charge-assisted hydrogen bonds that can be used to efficiently weld broken molecular single-crystalline optical waveguides and restore their light-transducing capability. This approach can also be applied to prepare asymmetric multidomain crystalline heterostructures starting from isostructural molecular tectons, resulting in novel opto/electro/mechanical functionalities in the hybrid materials. It also removes an important obstacle toward wider application of molecular crystals in the next-generation optoelectronics

Text-message reminders increase uptake of routine breast screening appointments : a randomised controlled trial in a hard-to-reach population

Background: There is a need for interventions to promote uptake of breast screening throughout Europe. Methods: We performed a single-blind randomised controlled trial to test whether text-message reminders were effective. Two thousand two hundred and forty women receiving their first breast screening invitation were included in the study and randomly assigned in a 1 : 1 ratio to receive either a normal invitation only (n=1118) or a normal invitation plus a text-message reminder 48 h before their appointment (n=1122). Findings: In the intention-to-treat analysis, uptake of breast screening was 59.1% among women in the normal invitation group and 64.4% in the text-message reminder group (χ2=6.47, odds ratio (OR): 1.26, 95% confidence intervals (CI): 1.05–1.48, P=0.01). Of the 1122 women assigned to the text-message reminder group, only 456 (41%) had a mobile number recorded by their GP and were thereby sent a text. In the per-protocol analysis, uptake by those in the control group who had a mobile number recorded on the GP system was 59.77% and by those in the intervention group who were sent a reminder 71.7% (χ2=14.12, OR=1.71, 95% CI=1.29–2.26, P<0.01). Interpretation: Sending women a text-message reminder before their first routine breast screening appointment significantly increased attendance. This information can be used to allocate resources efficiently to improve uptake without exacerbating social inequalities

Electronic Structure of Transition-Metal Dicyanamides Me[N(CN)2_2]2_2 (Me = Mn, Fe, Co, Ni, Cu)

The electronic structure of Me[N(CN)$_2$]$_2$ (Me=Mn, Fe, Co, Ni, Cu) molecular magnets has been investigated using x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) as well as theoretical density-functional-based methods. Both theory and experiments show that the top of the valence band is dominated by Me 3d bands, while a strong hybridization between C 2p and N 2p states determines the valence band electronic structure away from the top. The 2p contributions from non-equivalent nitrogen sites have been identified using resonant inelastic x-ray scattering spectroscopy with the excitation energy tuned near the N 1s threshold. The binding energy of the Me 3d bands and the hybridization between N 2p and Me 3d states both increase in going across the row from Me = Mn to Me = Cu. Localization of the Cu 3d states also leads to weak screening of Cu 2p and 3s states, which accounts for shifts in the core 2p and 3s spectra of the transition metal atoms. Calculations indicate that the ground-state magnetic ordering, which varies across the series is largely dependent on the occupation of the metal 3d shell and that structural differences in the superexchange pathways for different compounds play a secondary role.Comment: 20 pages, 11 figures, 2 table