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For the future recycling of spent nuclear fuels, reprocessing options that are more efficient and proliferation resistant will be needed. The development of an Advanced PUREX process using centrifugal contactors and the ligand aceto-hydroxamic acid (AHA) to only partially separate U and Pu is an innovative step in this regard. AHA acts as a hydrophilic complexing agent for Pu(IV), enabling its selective stripping from organic to aqueous phases in a modified PUREX process without the need for Pu(IV) reduction. A new series of experimental flowsheet tests of this Advanced PUREX process has been conducted using AHA to produce mixed (U, Pu, Np) and bulk U products in nitric acid, demonstrating the concepts. New process models have been developed to describe the effect of AHA on Pu(IV) extraction, thus enabling simulations of the experimental flowsheets. These models effectively describe the impact of AHA on Pu(IV) extraction and align closely with experimental outcomes, offering robust tools for future flowsheet optimization. • First demonstration of an advanced PUREX process using AHA for mixed U–Pu product production. • Successful experimental achievement of a near-target U–Pu ratio in flowsheet tests. • Development of a new model for simulating the advanced PUREX process with AHA. • Model compared to experimental tests of several flowsheets using AHA. • The hydrolysis of AHA can be neglected when centrifugal contactors are used. [ABSTRACT FROM AUTHOR]

Patchy particles, which comprise a core particle of one material partially covered by a thin layer of another, offer great promise for tailored particle-based materials and devices in the future. This study concerns the investigation and improvement of a potentially gram-scalable continuous flow process based on a cascade of two T-mixers for the synthesis of thin, conformal silver patches on colloidal silica particles. The starting point of the work is the observation that on seemingly random occasions the process results in patches having undesired spiky protrusions. Through a systematic study of reagent ageing supported by scanning electron microscopy, optical spectroscopy and chemical equilibrium calculations it can be ascertained that the desired product morphology is only obtained through carbon dioxide absorption by the dilute ammonia solution used in the reaction. It is shown that the ageing process can be emulated for fresh reagents by addition of ammonium nitrate or nitric acid. [Display omitted] • Silver patches on colloidal silica particles produced in a cascade of two T-mixers. • Random formation of unwanted spiky silver protrusions demands closer investigation. • The ageing of ammonia reagent solution is found to improve product morphology. • Equilibrium calculations show that CO 2 absorption leads to reduced reaction rate. • Product similar to that from ammonia ageing obtained by reagent acidification. [ABSTRACT FROM AUTHOR]

Globally, around half a million tonnes of spent nuclear fuel (SNF) will be in dry or wet storage by around 2050. Continued storage is not sustainable and this SNF must eventually either be disposed (the open nuclear fuel cycle) or recycled (the closed fuel cycle). Many international studies have addressed the advantages and disadvantages of these options which can be considered now in the framework of sustainable development and the three pillars of: economic, environmental and societal impacts. To inform this debate, a detailed survey of the available literature related to economic assessments of closed and open cycles has been undertaken—this complements an earlier review on environmental impacts. Results of economic assessments showing how the management of spent fuels in the open and closed cycles impacts the costs of the nuclear fuel cycle, are usually presented in terms of the levelised cost of electricity (LCOE). It is clear that the costs of the back end of the fuel cycle are a relatively minor component of the LCOE and that there is significant overlap between calculations on open and closed fuel cycles. [ABSTRACT FROM AUTHOR]

Advances in synthetic chemistry mean that the molecules now synthesized include increasingly complex entities with mechanical bonds or extensive frameworks. For these complex molecular and supramolecular species, single‐crystal X‐ray crystallography has proved to be the optimal technique for determining full three‐dimensional structures in the solid state. These structures are curated and placed in structural databases, the most comprehensive of which (for organic and metallo–organic structures) is the Cambridge Structural Database. A question of increasing importance is how users can search such databases effectively for these structures. Here some of the classes of complex molecules and supramolecules and the challenges associated with searching for them are highlighted. The idea of substructure searches that involve topological searches as well as searches for molecular fragments is developed, and significant enhancements are proposed to substructure search programs that are both achievable and highly beneficial for both the database user community and the broader chemistry community. [ABSTRACT FROM AUTHOR]

Bader's atoms-in-molecules theory holds that a bond path between an atom pair indicates a bonded interaction, including when the interaction is intermolecular. There is now considerable evidence from a variety of sources that this proposition is unreliable, not least when the bond path is observed in an experimental electron density distribution. In any case, to conclude that a weak interaction is bonding does not show that the interaction will be useful in crystal engineering. For this it must also be competitive, i.e. likely to win out over other interactions that might form when a crystal nucleates and grows. Database techniques have been developed for identifying interactions that are generally competitive in organic structures, or competitive in specific types of structures. They have also been applied to protein–ligand complexes. Representative results are discussed. As would be expected, the most competitive interactions are usually the strongest but this is not invariably the case. [ABSTRACT FROM AUTHOR]

Most structural (i.e. displacive) modulations make molecules independent that had been related by translation in a phase having a smaller or centered unit cell. In the modulated structure the independent molecules are differentiated by small translations, rotations, and/or conformational changes but an approximate translational relationship is normally retained. A program has been written to identify such pseudotranslations because they can be difficult to find by eye and because they combine with each other and with lattice translations in ways that can be confusing. To characterize the pseudotranslations the program calculates their fractional translational, orientational, and conformational components as well as several quality indicators. While many pseudotranslations are obvious, others are borderline; setting tolerances for identifying a pseudotranslation proved difficult. Defaults were chosen to reproduce experience‐based judgment but they can be varied in the program input. The program was run for organic and for metallo‐organic structures with R ≤ 0.075 in the 2019 release of the Cambridge Structural Database. The frequency of pseudotranslations increases with Z′ and is approximately 50% for Z′ > 4. Some structures were found in which an identified pseudotranslation cannot correspond to a modulation. These include structures in which some but not all of the molecules are related by pseudotranslations and structures in which pseudotranslations in different parts of the unit cell have different directions. [ABSTRACT FROM AUTHOR]

Maintaining sexual reproduction in a highly competitive world is still one of the major mysteries of biology given the apparently high efficiency of asexual reproduction. Co‐evolutionary theories such as the Red Queen hypothesis would suggest that the microbiomes in human reproductive systems, specifically the microbiomes contained in semen and vaginal fluids, should reach some level of homogeneity thanks to arguably the most conspicuous microbiome transmission between two sexes. The long‐term sexual coevolution should favor the dynamic homogeneity or stability, which should also be beneficial for sexual reproduction such as sperm survival or fertilization on physiological/ecological time scale. We present a piece of quantitative evidence in the form of microbial community spatial heterogeneity to support the stability notion by analyzing three big datasets of the human vaginal, semen and gut microbiome. Methodologically, we applied a recent community‐level extension to the classic Taylor's power law, which reached the rare status of ecological law and has found applications beyond biology. Both ecological and evolutionary theories, such as hologenome/holobiont and Red Queen, as well as consideration of first principles, would predict that microbiome transmissions between two sexes should have homogenizing effects on the composition and stability of the microbiomes in human reproductive systems, and therefore have similar variance structures. This is supported by the finding that the power law analysis revealed human vaginal and semen microbiomes exhibited the same scaling parameter size in their community spatial (inter‐individual) heterogeneities, while the both exhibited significantly different heterogeneity scaling parameter size with the human gut microbiome. [ABSTRACT FROM AUTHOR]

Modern intensive agriculture relies heavily on pesticides to control weeds, pathogens and insect pests. Forecasting and managing the impact of pests and pesticides on crop production is challenging. Since pest control tactics not only affect the target pest, but also initiate feedbacks within the field community, proper modelling of pest management requires functions in at least two trophic levels.To respond to this challenge, we integrated a process‐based insect population dynamics model and a process‐based crop model. The coupled model was then used to simulate eight field trials on five different sites across the US, testing the efficacy of five different pesticides against six different pests as well as the yield response.The results showed that the model performed robustly on different sites (five plots across the US) and under different climatic conditions (8 years spanning a period from 1985 to 2014). For armyworm and black cutworm, the simulated yields per hectare, the number of insects per plant and the response to insecticide treatments closely matched the reported numbers. For the European corn borer, the number of insects per plant differed slightly between simulated and field data, but the response to the insecticide treatment showed an adequate match. Simulations for the bean leaf beetle and stalk borer yielded similar results. The comparison between simulated and measured adult potato leafhopper numbers revealed that even though numbers did not match exactly in two of three years, they were in the same range, and the measured and simulated impacts were almost identical for all three used insecticides.Synthesis and applications. The novel coupled crop‐insect model EPIC‐GILSYM realistically simulates two trophic levels (insects and plants), their interactions, and the effect crop management has on both levels. It has been successfully tested against field trial data collected in eight different years on five plots in different parts of the US. With careful calibration and validation to other sites and climates, it may become a valuable tool in the assessment of insect pest impacts and appropriate control measures. The novel coupled crop‐insect model EPIC‐GILSYM realistically simulates two trophic levels (insects and plants), their interactions, and the effect crop management has on both levels. It has been successfully tested against field trial data collected in eight different years on five plots in different parts of the US. With careful calibration and validation to other sites and climates, it may become a valuable tool in the assessment of insect pest impacts and appropriate control measures. [ABSTRACT FROM AUTHOR]

Since 2017, the UK Government has invested in research and technology development of advanced nuclear technologies including options for the future recycling of spent nuclear fuels. Whilst the UK has previously reprocessed and recycled uranium and plutonium from spent fuels, industrial scale reprocessing has finished and future fuels are being stored ready for disposal in a deep geological repository around the end of the century (i.e. transition to the open fuel cycle). Nevertheless, it is possible that an expansion of the use of nuclear energy to help meet Net Zero carbon emission targets and changing public perceptions or geopolitical situations over this period may necessitate a return to some form of closed fuel cycle. Consequently, the Advanced Fuel Cycle Programme (AFCP) has been developing advanced recycling options using both aqueous and pyro-chemical methods that would reduce wastes, costs and environmental impacts but with enhanced flexibility and barriers against nuclear proliferation risks. As well as technology development, AFCP has developed approaches for evaluating the benefits and disbenefits of future fuel cycle options under the framework of sustainability. This article provides an overview of the progress made under AFCP on the aqueous recycling of spent fuels, including the management of secondary wastes arising from the reprocessing schemes. [Display omitted] • Review of key results from UK Advanced Fuel Cycle Programme • Innovation in advanced aqueous recycling technologies for spent nuclear fuels • Development of separation processes and management of secondary wastes • Development of Advanced PUREX, innovative-SANEX and GANEX processes • Integrated waste management [ABSTRACT FROM AUTHOR]

The article focuses on the acute sense of guilt that a clinician can incite, which immediately makes a consultation tense. Topics include examines that patients expect the doctor to give them a health warning that amounts to a scolding; and considered that repeating the sequence frequently can make it feel like a performance.

Recent studies have begun to explore the potentially positive impact of siblings on sporting talent development. This study aimed to explore potential mechanisms through which siblings impact on this process. Bimonthly interviews were conducted with 4 families over a 1-year period (parents and siblings; N = 14) during the talent development process. Findings revealed several themes (regularity of interaction, emotional interpersonal skills, rivalry, resilience, and separation) aligning with previous studies, alongside two new themes: communication and skill development. The study's longitudinal nature exposed important differences of potential mechanisms across families, highlighting the complex nature of the sibling relationship. [ABSTRACT FROM AUTHOR]

In this work, we describe the two-step synthesis of a new quinoline substituted arylazo ligand bearing a phenanthrol substituent 1 (qapl). This new ligand does not exhibit keto/enol tautomerization in solution as does papl, a structurally related arylazo ligand. Qapl can be reduced quasi-reversibly suggesting that the formed radical anion features better stability than the radical formed from papl. Density functional theory calculations indicate highly π-delocalized frontier orbital levels with large π-antibonding coefficients on the azo N atoms in the LUMO. Coordination of qapl to CoCl 2 produced a trivalent cobalt complex 2 and single crystal X-ray diffraction studies revealed a six-coordinate cobalt(III) ion with the tridentate qapl ligand binding through quinoline N, azo N and phenanthrol O donor atoms. The electronic structure of 2 is shown to be similar to related complex [Co(papl) 2 ] + and DFT calculations confirm low energy absorptions bands to feature mostly ligand centered transitions with some LMCT character mixed in. [ABSTRACT FROM AUTHOR]

Identification of Cladophora species is challenging due to conservation of gross morphology, few discrete autapomorphies, and environmental influences on morphology. Twelve species of marine Cladophora were reported from North Carolina waters. Cladophora specimens were collected from inshore and offshore marine waters for DNA sequence and morphological analyses. The nuclearencoded rRNA internal transcribed spacer regions (ITS) were sequenced for 105 specimens and used in molecular assisted identification. The ITS1 and ITS2 region was highly variable, and sequences were sorted into ITS Sets of Alignable Sequences (SASs). Sequencing of short hyper-variable ITS1 sections from Cladophora type specimens was used to positively identify species represented by SASs when the types were made available. Secondary structures for the ITS1 locus were also predicted for each specimen and compared to predicted structures from Cladophora sequences available in GenBank. Nine ITS SASs were identified and representative specimens chosen for phylogenetic analyses of 18S and 28S rRNA gene sequences to reveal relationships with other Cladophora species. Phylogenetic analyses indicated that marine Cladophorales were polyphyletic and separated into two clades, the Cladophora clade and the "Siphonocladales" clade. Morphological analyses were performed to assess the consistency of character states within species, and complement the DNA sequence analyses. These analyses revealed intra- and interspecific character state variation, and that combined molecular and morphological analyses were required for the identification of species. One new report, Cladophora dotyana, and one new species Cladophora subtilissima sp. nov., were revealed, and increased the biodiversity of North Carolina marine Cladophora to 14 species. [ABSTRACT FROM AUTHOR]

A study was made of X-H...F-C interactions ( X = N or O) in small-molecule crystal structures. It was primarily based on 6728 structures containing X-H and C-F and no atom heavier than chlorine. Of the 28 451 C-F moieties in these structures, 1051 interact with X-H groups. However, over three-quarters of these interactions are either the weaker components of bifurcated hydrogen bonds (so likely to be incidental contacts) or occur in structures where there is a clear insufficiency of good hydrogen-bond acceptors such as oxygen, nitrogen or halide. In structures where good acceptors are entirely absent, there is about a 2 in 3 chance that a given X-H group will donate to fluorine. Viable alternatives are X-H...π hydrogen bonds (especially to electron-rich aromatics) and dihydrogen bonds. The average H...F distances of X-H...F-C interactions are significantly shorter for C R3F ( R = C or H) and C sp2-F acceptors than for C RF3. The X-H...F angle distribution is consistent with a weak energetic preference for linearity, but that of H...F-C suggests a flat energy profile in the range 100-180°. X-H...F-C interactions are more likely when the acceptor is C sp2-F or C R3F, and when the donor is C-NH2. They also occur significantly more often in structures containing tertiary alcohols or solvent molecules, or with Z′ > 1, i.e. when there may be unusual packing problems. It is extremely rare to find X-H...F-C interactions in structures where there are several unused good acceptors. When it does happen, there is often a clear reason, e.g. awkwardly shaped molecules whose packing isolates a donor group from the good acceptors. [ABSTRACT FROM AUTHOR]

In the first longitudinal study of nematode spatial distribution with sufficiently large samples to estimate Taylor's power law (TPL), we concluded that TPL is sensitive to life history strategy. We also observed that the value of TPL slope b was generally higher for more widespread and abundant taxa. We deduce that removal of empty samples increases b and discuss the results in relation to known causes of bias in estimating TPL. Only one cause might explain an increase in b with removal of empty quadrats: the underestimation of variance. Although bias cannot be ruled out in rare taxa, the consistency of the pattern with very abundant genera suggests a different explanation. TPL appears sensitive to the number of samples in a survey that do not contain the taxon of interest. We conclude that TPL measures the space between individuals as well as the density-dependence of the numerical distribution of abundance. [ABSTRACT FROM AUTHOR]

The synthesis and study of redox-active ligand complexes has received much recent attention. We have recently explored the coordination chemistry of arylazo redox-active ligand 1-(2-pyridylazo)-2-phenanthrol (papl) and herein expand the series of complexes to the Group 8 transition metal ion, iron. We report the preparation and structure of a divalent iron complex with the papl anion, Fe(papl) 2 , which is diamagnetic and features ligand centered redox activity and intense visible electronic transitions. Three polymorphs of the Fe(papl) 2 complex are reported, including one that exhibits a structural phase transition at low temperature. Oxidation of Fe(papl) 2 with molecular iodine has produced the low-spin trivalent complex [Fe 3+ (papl) 2 ] + as an ionic complex with the I 3 anion. Density functional theory (dft) calculations and data from variable temperature Mössbauer spectroscopy experiments are provided to shed light on the electronic structures of these iron complexes. [ABSTRACT FROM AUTHOR]

Routing neptunium to a single product in spent nuclear fuel reprocessing is a significant challenge. In this work, we have further improved the simulation of neptunium extraction in an advanced PUREX flowsheet by applying a revised model of the Np(V)–Np(VI) redox reaction kinetics, a new nitric acid radiolysis model, and by evaluating various models for the nitrous acid distribution coefficient. The Np disproportionation reaction is shown to have a negligible effect. The models are validated against published ‘cold test’ experimental results; the ‘hot test’ simulation suggests that high neptunium radiolysis could help to achieve high recoveries using this flowsheet. [ABSTRACT FROM AUTHOR]

Arguments about the importance or otherwise of the interaction between a C-H group and an electronegative atom such as oxygen, nitrogen, or halogen have rumbled on for 50 years or more. The latest contribution to the debate, published recently in this journal, tended to downplay the significance of the interaction. However, a comparison of observed interaction frequencies with those expected from surface area considerations sheds a different light on the matter. [ABSTRACT FROM AUTHOR]

An Advanced PUREX process has been developed for separation and recycling of neptunium from spent nuclear fuel. This work presents a new flowsheet simulation model for the extraction of neptunium using centrifugal contactors, where mass transfer is modeled using two-film theory and a linear driving force. Distribution coefficients and neptunium redox reactions are modeled using published models. Mass transfer between the organic and aqueous phases in the phase separation zone is shown to have a negligible effect. The model is applied to a previously tested flowsheet and its predictions are shown to be in good agreement with the experimental results. [ABSTRACT FROM PUBLISHER]

We describe an algorithm for enumerating and classifying molecular interaction motifs in crystal structures taken from the Cambridge Structural Database. It was used to determine which motifs have the highest propensity to occur in structures with Z′ > 1 and to show that these motifs also have a strong tendency to occur between symmetry-independent rather than symmetry-related molecules in such structures. In noncentrosymmetric structures, they are predominately stacking interactions and cyclic motifs containing strong or weak hydrogen bonds. In centrosymmetric structures, OH···O hydrogen bonds and C-H···π interactions predominate. The proportions of centrosymmetric and noncentrosymmetric structures with Z′ = 2 that might be explained by the presence of one or more of these motifs were estimated. Motifs with a strong tendency to form across inversion centers in structures with Z′ = 1 were also identified ("inversion-favoring motifs"). They are similar to those preferentially occurring between symmetry-independent molecules in noncentrosymmetric structures with Z′ = 2 but dissimilar to those in centrosymmetric structures. However, a significant number of centrosymmetric structures with Z′ = 2 have inversion-favoring motifs both across crystallographic inversion centers and between symmetry-independent molecules. Several other results were obtained: for example, crystallization with Z′ > 1 is more likely for molecules with 1-3 hydrogen-bonding atoms. [ABSTRACT FROM AUTHOR]

We report the structural properties and electronic structure of a neutral homoleptic copper(II) complex bearing the anion of 1-(2-pyridylazo)-2-phenanthrol (papl). In the solid state the complex is disordered and this presents itself as a nearly equal mixture of five and six coordinate copper ions with the ligand bound in two different configurations, with one of the terminal pyridine rings uncoordinated in the case of the five coordinate ion, which also features a very short Cu–N azo coordinate bond. The six coordinate complex features a Jahn–Teller elongated octahedron with one of the ligands coordinated in a typical fashion with coordinate bond distances typical of other divalent ion–papl complexes while the distances to the other donor atoms are much longer. [ABSTRACT FROM AUTHOR]

The article discusses the development of actinide separation processes for nuclear fuel cycles in Europe as of July 2015, dealing with topics including Great Britain's Nuclear Industrial Strategy, the European Union Sustainable Nuclear Energy Technology Platform, and used fuel processing.

SWAT (Soil and Water Assessment Tool) and APEX (Agricultural Policy/Environmental eXtender) are respectively large and small watershed simulation models derived from EPIC (Environmental Policy Integrated Climate), a field-scale agroecology simulation model. All three models are coded in Fortran and have evolved over several decades. They are widely used to analyze anthropogenic influences on soil and water quality and quantity. Much of the original Fortran code has been retained even though Fortran has been through several cycles of development. Fortran now provides functionality originally restricted to languages like C, designed to communicate directly with the operating system and hardware. One can now use an object-oriented style of programming in Fortran, including inheritance, run-time polymorphism and overloading. In order to enhance their utility in research and policy-making, the models are undergoing a major revision to use some of the new Fortran features. With these new programming paradigms the developers of SWAT, APEX, and EPIC are working to make communication between the two models seamless. This paper describes the ongoing revision of these models that will make them easier to use, maintain, modify and document. It is intended that they will converge as they continue to evolution, while maintaining their distinctive features, capabilities and identities. [ABSTRACT FROM AUTHOR]

The symmetry of a crystal structure and the types of intermolecular interactions found therein are related. We have quantified the extent to which this is the case for a wide variety of interactions using two different statistical approaches. The results show that symmetry effects can be huge; for example, over 67% of S(thiocarbonyl)…H(O,N) interactions involve molecules related by inversion but less than 10% of C(methyl)…O(ether) interactions. Unsurprisingly, the strongest symmetry preferences are often in favour of inversion, but there are many smaller but significant preferences for other symmetries. For example, carbonyl carbon atoms show their highest propensity to interact with carbon-bound halogen atoms when the interacting molecules are related by a screw axis. While many of the symmetry preferences can be understood, others are more difficult to rationalise. [ABSTRACT FROM AUTHOR]

The tendency for an interaction to occur in crystal structures is not a simple function of its calculated energy in vacuo. This was shown by ranking intermolecular atom⋯atom interactions in organic crystal structures on the ratio (RF) of their observed frequency of occurrence to the frequency expected at random, i.e. if determined solely by the exposed surface areas of atoms. The study was based on line-ofsight interactions in structures taken from the Cambridge Structural Database. Only one interaction per atom was included in the analysis, the one with the smallest value of d-V, where d is the interatomic distance and V the sum of the atoms' van der Waals radii. 95% confidence intervals were determined for each RF value, enabling identification of interactions that occur significantly more often than expected by chance. Strong hydrogen bonds have the highest RF values, followed by two halogen-bonding interactions, I⋯N and I⋯O. These strong interactions typically occur 3 to 10 times more often than would be expected by chance. Although comparatively weak in energetic terms, C-H⋯F and C-H⋯Cl have RF values significantly in excess of the random expectation value of 1, and higher, for example, than those of Br⋯O and Cl⋯O. RF values clearly reveal the effects of polarisation on the propensity for C-halogen groups to form halogen bonds and C-H groups to form hydrogen bonds to oxygen, and highlight the dramatic differences between the interactions of phenyl and pentafluorophenyl. [ABSTRACT FROM AUTHOR]

Background: Myocardial tagging using cardiovascular magnetic resonance (CMR) is the gold-standard for the assessment of myocardial mechanics. Feature-tracking cardiovascular magnetic resonance (FT-CMR) has been validated against myocardial tagging. We explore the potential of FT-CMR in the assessment of mechanical dyssynchrony, with reference to patients with cardiomyopathy and healthy controls. Methods: Healthy controls (n=55, age: 42.9±13yrs, LVEF: 70±5%, QRS: 88±9ms) and patients with cardiomyopathy (n=108, age: 64.7±12yrs, LVEF: 29±6%, QRS: 147±29ms) underwent FT-CMR for the assessment of the circumferential (CURE) and radial (RURE) uniformity ratio estimate based on myocardial strain (both CURE and RURE: 0 to 1; 1=perfect synchrony) Results: CURE (0.79±0.14 vs. 0.97±0.02) and RURE (0.71±0.14 vs. 0.91±0.04) were lower in patients with cardiomyopathy than in healthy controls (both p<0.0001). CURE (area under the receiver-operator characteristic curve [AUC]: 0.96), RURE (AUC: 0.96) and an average of these (CURE:RUREAVG, AUC: 0.98) had an excellent ability to discriminate between patients with cardiomyopathy and controls (sensitivity 90%; specificity 98% at a cut-off of 0.89). The time taken for semi-automatically tracking myocardial borders was 5.9±1.4min. Conclusion: Dyssynchrony measures derived from FT-CMR, such as CURE and RURE, provide almost absolute discrimination between patients with cardiomyopathy and healthy controls. The rapid acquisition of these measures, which does not require specialized CMR sequences, has potential for the assessment of mechanical dyssynchrony in clinical practice. [ABSTRACT FROM AUTHOR]

Objectives: The aim of this study was to determine whether left ventricular (LV) midwall fibrosis, detected by midwall hyperenhancement (MWHE) on late gadolinium enhancement cardiovascular magnetic resonance (CMR) imaging, predicts mortality and morbidity in patients with dilated cardiomyopathy (DCM) undergoing cardiac resynchronization therapy (CRT). Background: Midwall fibrosis predicts mortality and morbidity in patients with DCM. Methods: Patients with DCM with (+) or without (−) MWHE (n = 20 and n = 77, respectively) as well as 161 patients with ischemic cardiomyopathy (ICM) undergoing CRT (n = 258) were followed up for a maximum of 8.7 years. Results: Among patients with DCM, +MWHE predicted cardiovascular mortality (hazard ratio [HR]: 18.6; 95% confidence intervals [CI]: 3.51 to 98.5; p = 0.0008), total mortality or hospitalization for major adverse cardiovascular events (HR: 7.57; 95% CI: 2.71 to 21.2; p < 0.0001), and cardiovascular mortality or heart failure hospitalizations (HR: 9.56; 95% CI: 2.72 to 33.6; p = 0.0004), independent of New York Heart Association class, QRS duration, atrial fibrillation, LV volumes, LV ejection fraction, and a CMR-derived measure of dyssynchrony. Among patients with DCM and ICM, the risk of cardiovascular mortality for DCM +MWHE (adjusted HR: 18.5; 95% CI: 3.93 to 87.3; p = 0.0002) was similar to that for ICM (adjusted HR: 21.0; 95% CI: 5.06 to 87.2; p < 0.0001). Both DCM +MWHE and ICM were predictors of pump failure death as well as sudden cardiac death. LV reverse remodeling was observed in DCM −MWHE and in ICM but not in DCM +MWHE. Conclusions: Midwall fibrosis is an independent predictor of mortality and morbidity in patients with DCM undergoing CRT. The outcome of DCM with midwall fibrosis is similar to that of ICM. This relationship is mediated by both pump failure and sudden cardiac death. [ABSTRACT FROM AUTHOR]

In the Hosanna-Tabor case, the United States Supreme Court held that there is a broad exception under the Americans with Disabilities Act (ADA) for employees who are ministers. A Lutheran Church-Missouri Synod school could fire an elementary school teacher with a disability because she was a 'called teacher,' even though the termination would otherwise have violated the ADA. The Evangelical Lutheran Church in America supported this decision, but this contradicts the ELCA's position with respect to persons living with disabilities. It also reflects an 'idolatry of the call' inconsistent with the priesthood of all believers. A better course for the ELCA is to agree to be bound by those standards that it advocates for the secular world. [ABSTRACT FROM AUTHOR]

Abstract: Evidence to support the Raman assignments of the 1LO (578cm−1) and 2LO (1158cm−1) lattice vibrations for PuO2 material is presented. The T2g signal is established at 476±2cm−1 in agreement with literature values. An increase of the 1LO band and an increase of the unit cell lattice parameter with ageing in our samples are found not to be a consequence of PuO2+ x formation but rather a result of simple lattice defects due to radiation damage. The Raman spectrum of AnO2(OH)2⋅xH2O (An=Np, Pu) and laser induced decomposition products suggest that the transition to AnO2 involves Np2O5 for neptunium but no such analogue could be detected for Pu. The presence of a band around 1150±10cm−1 for a range of MO2 fluorite structures (CeO2, ThO2, UO2, NpO2 and PuO2) suggests that this band is not derived from crystal field electronic f–f transitions as proposed previously and supports recent suggestions that it is the first overtone of the 1LO lattice vibration. The spectrum of PuO2 is taken across a wide wavenumber range (200–4000cm−1) and additional signals (2116 and 2611cm−1) not previously reported have been observed but are not yet assigned with confidence. [Copyright &y& Elsevier]

Abstract: The formation of spherical superparamagnetic colloidal aggregates of magnetite nanoparticles by emulsification of a ferrofluid and subsequent solvent evaporation has been systematically studied. The colloidal aggregates occur as a dense sphere with magnetite nanoparticles randomly packed and preserved particle–particle separation due to chemisorbed oleic acid. The voids between nanoparticles are filled with solvent and free oleic acid. The latter was found to influence the formation of colloidal aggregates and their surface properties. The choice of surfactant, whether low molecular weight or polymeric, was shown to lead to the colloidal aggregates having tailored interfacial behavior. Magnetization measurements at ambient temperature revealed that the magnetite colloidal aggregates preserve the superparamagnetic properties of the starting nanoparticle units and show high saturation magnetization values up to 57emu/g. The size distribution of magnetite nanoparticle colloidal aggregates produced by such an approach was found to be a function of emulsion droplet breakup – coalescence and stabilization kinetics and therefore is influenced by the emulsification process conditions and concentrations of the emulsion compounds. [Copyright &y& Elsevier]

A program for overlaying multiple flexible molecules has been developed. Candidate overlays are generated by a novel fingerprint algorithm, scored on three objective functions (union volume, hydrogen-bond match, and hydrophobic match), and ranked by constrained Pareto ranking. A diverse subset of the best ranked solutions is chosen using an overlay-dissimilarity metric. If necessary, the solutions can be optimised. A multi-objective genetic algorithm can be used to find additional overlays with a given mapping of chemical features but different ligand conformations. The fingerprint algorithm may also be used to produce constrained overlays, in which user-specified chemical groups are forced to be superimposed. The program has been tested on several sets of ligands, for each of which the true overlay is known from protein-ligand crystal structures. Both objective and subjective success criteria indicate that good results are obtained on the majority of these sets. [ABSTRACT FROM AUTHOR]

Abstract: Cellulose nanocrystals, which can be isolated from natural cellulose fibres by controlled acid hydrolysis, are promising biomolecule templates for the fabrication of hierarchical organised materials. In this work, we addressed the problem of gold deposition on cellulose and silica-coated cellulose nanocrystals to form metal nanowires. Nanostructures consisting of a dielectric core with a thin goldlayer show interesting optical properties. The gold nanoparticles could be attached to the surface of the biotemplated silica nanowires through functionalisation with amine-groups. They formed a gold shell by the addition of weak reducing agents. The fabricated cellulose nanocrystals, silica nanowires and gold shell nanowires were characterised by transmission electron microscopy and ultraviolet and visible spectroscopy. The TEM results and the optical absorption measurements in the ultraviolet and visible range showed a successful deposition of the metal particles on the silica nanowires. The fabrication of size-controlled metal nanowires using cellulose nanocrystals as biomolecular templates might offer a facile route to design gold nanowires with different sizes and unique optical properties. [Copyright &y& Elsevier]

This article uses a comparative theological model to explore the concept of pilgrimage-holy movement and holy place. It examines Christian pilgrimage exemplified by John Paul II's pilgrimage to Jerusalem in 2000 and Islamic pilgrimage exemplified by the Hajj. It then re-visions Christian pilgrimage by suggesting how three features of the Hajj (danger and hardship, ritual nature, and gathering) can be used to deepen the Christian experience and understanding of pilgrimage. [ABSTRACT FROM AUTHOR]

Clinical supervision is the principal method of training for psychotherapeutic practice, however there is virtually no research on supervision practice in community settings. Of particular interest is the role supervision might play in facilitating implementation of evidence-based (EB) care in routine care settings. This study examines the format and functions of clinical supervision sessions in routine care, as well as the extent to which supervision addresses psychotherapeutic practice elements common to EB care for children with disruptive behavior problems, who represent the majority of patients served in publicly funded routine care settings. Supervisors (n = 7) and supervisees (n = 12) from four publicly funded community-based child mental health clinics reported on 130 supervision sessions. Supervision sessions were primarily individual in-person meetings lasting one hour. The most common functions included case conceptualization and therapy interventions. Coverage of practice elements common to EB treatments was brief. Despite the fact that most children presenting to public mental health services are referred for disruptive behavior problems, supervision sessions are infrequently focused on practice elements consistent with EB treatments for this population. Supervision is a promising avenue through which training in EB practices could be supported to improve the quality of care for children in community-based "usual care" clinics. [ABSTRACT FROM AUTHOR]

This study describes the characteristics of children with autism spectrum disorders (ASD) with disruptive behavior problems served in community-based mental health clinics, characterizes psychotherapy process and outcome, and examines differences between children with ASD and a non-ASD comparison group. Results indicate that children with ASD served in this setting are high functioning and diagnostically complex. Certain research-based behavioral and cognitive behavioral psychotherapeutic strategies were observed frequently, while parent training strategies and active teaching strategies were observed less frequently. The intensity or thoroughness with which strategies were pursued was relatively low. Outcome analyses indicate improvement in child symptoms and family functioning. Treatment delivery and outcome were similar for children with and without ASD. These findings represent the first detailed observational data characterizing community-based mental health services for children with ASD. [ABSTRACT FROM AUTHOR]

We predicted that because plant nectar is high in energy, it is likely to provide multiple benefits to spiders that spend a substantial amount of energy foraging. In three laboratory experiments, we tested the effects of dietary extrafloral nectar on the survival, molting, and activity of two foliage wanderers. Cheiracanthium mildei L. Koch 1864 (Miturgidae) and Hibana velox (Becker 1879) (Anyphaenidae), both highly active, quick-moving nocturnal foragers. Extrafloral nectar contributed significantly to survival and molting in prey-deprived H. velox. On a marginal diet of prey (one Drosophila adult on alternate days) offered to spiders as soon as they emerged. 97% of C mildei underwent their first molt if they also received nectar, compared to 7% of controls without nectar. On a marginal diet of prey (one Drosophila adult on alternate days) offered to spiders starting two days after their emergence, 78% of the spiders also receiving nectar molted, compared to 0% of controls without nectar. Video recordings of activity showed that prey- deprived groups of C. mildei maintained their active nocturnal foraging for many days on nectar, whereas controls became increasingly quiescent until they died. Non-web-building spiders that feed on nectar may utilize its energy for foraging and thereby allocate the nutrients of prey to maintenance and growth. [ABSTRACT FROM AUTHOR]

Globally, around half a million tonnes of spent nuclear fuel (SNF) will be in dry or wet storage by around 2050. Continued storage is not sustainable, and this SNF must eventually either be disposed (the open nuclear fuel cycle) or recycled (the closed fuel cycle). Many international studies have addressed the advantages and disadvantages of these options. To inform this debate, a detailed survey of the available literature related to environmental assessments of closed and open cycles has been undertaken. Environmental impacts are one of the three pillars that, alongside economic and societal impacts, must be considered for sustainable development. The aims are to provide a critical review of the open literature in order to determine what generic conclusions can be drawn from the broad base of international studies. This review covers the results of life cycle assessments and studies on waste arisings, showing how the management of spent fuels in the open and closed cycles impact the environment, including the use of natural resources, radioactive waste characteristics (heat loading, radiotoxicity and volume) and the size of the geological repository. In the framework of sustainable development, the next part of this review will consider economic impacts. [ABSTRACT FROM AUTHOR]

The inner-sphere mechanisms of the disproportionation reactions of U(V), Np(V), and Pu(V) ions have been studied using a quantum mechanical approach. The U(V) disproportionation proceeds via the formation of a dimer (a cation-cation complex) followed by two successive protonations at the axial oxygens of the donor uranyl ion. Bond lengths and spin multiplicities indicate that electron transfer occurs after the first protonation. A solvent water molecule then breaks the complex into solvated U(OH)22+ and UO22+ ions. Pu(V) behaves similarly, but Np(V) appears not to follow this path. The observations from quantum modeling are consistent with existing experimental data on actinyl(V) disproportionation reactions. [ABSTRACT FROM AUTHOR]

The transmembrane energy-dependent efflux transporter P-glycoprotein (P-gp) limits a range of drugs from penetrating cells and deposits them into the extracellular space. P-gp is highly expressed in several normal tissues, including the luminal surface of capillary endothelial cells in the brain of humans. In this study, we tested whether olanzapine distribution to tissues highly expressing P-gp or devoid of this transporter was similar in Abcb 1a (-/-) mice lacking P-gp and control animals. At 1 h following the intraperitoneal injection of 2.5 µg olanzapine/g mouse, olanzapine concentrations were statistically and significantly higher in brain (three-fold), liver (2.6-fold), and kidney (1.8-fold) of Abcb 1a (-/-) mice than those of the control FVB Abcb 1a (+/+) mice, and not statistically different in plasma, spleen, or penile tissue. Similar differences were also found for the ratios of organ:plasma and organ:spleen between the two groups. This is the first report that the presence of the Abcb 1a gene is an important factor controlling brain access to olanzapine. The finding that the brain penetration of olanzapine is limited by P-gp implies that the highly prevalent functional polymorphisms of ABCB 1 in humans may be a factor contributing to variability in dose requirements for this antipsychotic drug. [ABSTRACT FROM AUTHOR]

Discusses the common failures that experts commit during court proceeding. Misconception of experts of their role in the proceeding; Importance of effective communication between the expert and the attorney; Failure of the expert to recall details of past cases which required his expert skill.

MINERVA (Mapping the Internet Electronic Resources Virtual Archive) is the Library of Congress's largest archive of born-digital materials. The article discusses crawling to find material, selection, copyright considerations, the importance of metadata, cataloging, and the user interface. [ABSTRACT FROM AUTHOR]

Discusses the applications of the Cambridge Structural Database in life sciences. Influence of crystal packing; Benefits of crystallographic data; Tools for the design of biologically active molecules.

Reports on the use of a program called Mercury to survey 144 monoalcohol and 1010 dialcohol crystal structures. Correlation of hydrogen-bonding patterns with steric effects; Formation of chains and rings of hydrogen bonds by secondary monoalcohols; Preference for chains of hydrogen bonds by dialcohols.

Comments on various issues on parapsychology. Discussion on animal psychic abilities; Navigational abilities of birds; Views on remote viewing.

The kinetics of actinide and technetium redox reactions are important in many separations processes; for instance, in the reprocessing of irradiated nuclear fuel by the Purex process. In this process, the kinetics of reactions in both aqueous nitric acid and organic tributyl phosphate (TBP) solutions are important. Kinetic data are particularly necessary for the computer simulation of flowsheets and become increasingly important as the residence times in extraction contactors are reduced. Although a large body of literature exists, some potentially important process reactions have not been sufficiently studied for modeling purposes. Additionally, if new redox reagents are to be considered for process applications, their rates of reaction need to be determined. A program of work has been undertaken to: Compile known data for application in modeling of process flowsheets. Obtain kinetic data to fill in gaps in the literature. Study the kinetics of new redox reagents using conventional and stopped-flow techniques. This paper summarizes recent studies, including: U(IV) and Np(IV) oxidation by HNO3 in TBP phases. Tc(VII) – hydroxylamine reactions in the absence and in the presence of U(IV). Np(VI) and Pu(IV) reduction by a variety of new organic reductants, including oximes, substituted hydroxylamines, and hydroxamic acids. Kinetics of U and Np mass transfer in a single-stage centrifugal contactor. [ABSTRACT FROM AUTHOR]

Discusses the book 'Freedom and Experience: Self-Determination Without Illusions,' by Kevin Magill, about the compatibilist tradition. Specific objectives of the book; Magill's commitment to compatibilism and determinism; Magill's attempt to undermine the incompatibilist's position by exposing deficiencies in its principal supports.