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Aim: The British Isles have been worked for millennia to extract metal ores to feed industrial development, leaving a legacy of mine water pollution that continues to impact freshwater communities in many regions. Brown trout (Salmo trutta L.) have long been observed to persist in these metal‐impacted systems as apex predators, with previous studies showing a small number of impacted populations to be highly genetically divergent. We sought to understand the scale of genetic diversity across regions and the repeatability of genetic divergence in trout populations affected by metal pollution. Location: We examined four mine water‐impacted regions across the British Isles: west Wales, northeast England, southwest England and southeast Ireland. Methods: We employed a panel of 95 SNP loci to screen 1236 individuals from 71 sites representing paired metal‐impacted and clean sites from across the four regions. From these, we obtained diversity statistics, assessed genetic structuring of populations and modelled historical demographic scenarios to understand which factors most credibly explain genetic variation in divergent populations. Results: We evidenced hierarchical population structure in the regions studied, in line with expectations from phylogeographic history. However, in a hierarchical analysis of genetic structuring the first level of differentiation was driven by the divergence of the metal‐impacted trout of Cornwall in southwest England. Within regions we observed reduced genetic diversity and repeated patterns of local genetic sub‐structuring between paired samples from metal‐impacted and relatively clean sites. Demographic history analyses suggested the timing of these splits to be relatively recent and to be associated with periods of peak mining activity. Main conclusions: Our findings demonstrate distinct patterns of genetic isolation and reduced diversity arising from legacy pollution in freshwater ecosystems, with impacts being most apparent where both chemical pollution and physical barriers are present. Management should focus on the amelioration of mine water wash‐out and the removal of barriers to fish movement to safeguard genetic diversity in impacted populations. [ABSTRACT FROM AUTHOR]

Wildlife rabies has been well controlled in Israel due to regular oral rabies vaccine (ORV) campaigns targeting the primary rabies reservoirs, red foxes (Vulpes vulpes) and golden jackals (Canis aureus). During 2017, a rabies outbreak was detected in golden jackals in the Jezreel and Hama'ayanot Valleys covering approximately 500 km2 area in Israel's Northern District. From October 2017 to March 2018, 68 of 93 (73%) reported rabies cases were golden jackals and the majority were juveniles of less than 1 year of age. Unusually high jackal population densities in the region (>80 animals/km2), with a large proportion of juveniles born after the autumn ORV campaign, fueled the outbreak to a peak of 19 reported cases during January 2018. Two high-density ORV campaigns (one during October 2017 and another during March 2018) targeted jackal habitat with bait densities up to 200 baits/km2. In addition to routine November and January baiting cycles, additional ORV baits were deployed during the summer months (July-October) to increase bait uptake by the unvaccinated juveniles. Due to an abundance of aquaculture in the area, bait acceptance studies were performed to confirm sufficient vaccine uptake. As high ambient temperatures conditions are common in the outbreak area, thermostability studies were conducted prior to these campaigns to determine whether the vaccinia-vectored recombinant oral vaccine was suitable for use under extreme weather conditions. Geographically and demographically targeted ORV distribution, paired with population control through focused culling, followed by enhanced rabies surveillance and rapid laboratory testing of suspect wildlife cases, contributed to rapid outbreak control by late March 2018. [ABSTRACT FROM AUTHOR]

Silver and copper clusters capped by external chelating dithiolate ligands can be classified according to the cavities in their central coinage metal polyhedra. Silver clusters composed exclusively of fused tetrahedra are analogous to simple saturated organic compounds. The only interstitial atom that can be fit into an Ag4 tetrahedron is hydrogen. Silver polyhedra with larger trigonal prismatic or cubic cavities, including highly distorted cubic cavities, can accommodate halide and chalcogenide anions. The still larger 12-vertex icosahedral and cuboctahedral coinage metal cavities can accommodate oxoanions of the types SO32− and SO42− and their heavier congeners or alternatively interstitial coinage or platinum group metals leading to central M′@M12 units. Copper clusters with central cuboctahedra and silver clusters with central icosahedra possessing interstitial metal atoms approximate sphericality and provide examples of electron-rich metal superatoms with an average metal oxidation state of less than +1. Such copper cluster superatoms have two extra electrons corresponding to a filled 1S2 superatomic orbital. The silver cluster superatoms are electron richer with eight extra electrons corresponding to filled 1S2 + 1P6 superatomic orbitals. In these silver clusters seven or eight faces of the central Ag12 icosahedron are capped by additional silver atoms in order to provide these additional electrons. [ABSTRACT FROM AUTHOR]

Objective: Although today there is extensive scientific literature on aural myiasis, a historical study of the subject has yet to appear. This short article reports the first description of aural myiasis in the Western medical literature. Methods: Methods involved: (1) scholarship review of ear diseases within Ancient Greek and Roman medical texts (L'Année philologique); (2) linguistic analysis for text identification through the Library of Latin Texts, the Thesaurus Linguae Latinae and the Loeb Classical Library; and (3) translation of the Latin texts that described cases of aural myiasis with commentary. Results: To our knowledge, the earliest case of aural myiasis in Latin medical literature is reported by the Roman encyclopaedist Celsus (first century CE). In his De Medicina , he describes cases of Wohlfahrtia magnifica maggot infestation of the ear and how to treat affected patients. Conclusion: Despite present advances in otology, we believe that much insight can still be gained from this ancient example of medical history in ear diseases. A more comparative analysis of the subject is to be considered in the future, which will provide more data from different cultures and times. [ABSTRACT FROM AUTHOR]

We aimed to assess DPNCheck's reliability for repeated sural nerve conduction (NC) parameters. This post hoc analysis used data from the randomized controlled ACUDPN trial assessing NC of the N. Suralis every eight weeks over a 6-month period in 62 patients receiving acupuncture against diabetic peripheral neuropathy (DPN) symptoms. The reliability of DPNCheck for nerve conduction velocity and amplitude was assessed using intraclass correlation coefficients (ICC) and was calculated using data from single time points and repeated measures design. The results of the NC measurements were correlated with the Total Neuropathy Score clinical (TNSc). Overall, for both nerve velocity and amplitude, the reliability at each measurement time point can be described as moderate to good and the reliability using repeated measures design can be described as moderate. Nerve velocity and amplitude showed weak correlation with TNSc. DPNCheck's reliability results question its suitability for monitoring DPN's progression. Given the limitation of our analysis, a long-term, pre-specified, fully crossed study should be carried out among patients with DPN to fully determine the suitability of the device for DPN progression monitoring. This was the first analysis assessing the reliability of the DPNCheck for DPN progression monitoring using data from multiple collection time points. [ABSTRACT FROM AUTHOR]

Effective management of Atlantic salmon requires a suite of metrics that are fed into stock assessment models to assess stock compliance within individual rivers in relation to estimated conservation limits. Key among metrics required to assess compliance are the number of adult female spawners within each adult sea age class and their corresponding egg deposition rates. Owing to the current need to conserve salmon stocks, adult sex ratios used to calculate egg deposition estimates often depend on data derived from historic lethal sampling. Using non‐invasive sampling and an accurate genetic sex test, we determined the proportion of female fish in two adult life history stages (one sea winter and two sea winter) of Atlantic salmon from the River Tamar, an Environment Agency (England) Monitored River. Our results suggested that phenotypic‐based sexing of Tamar salmon was unreliable, especially for early run fish and that the proportion of female salmon has been under‐estimated, thereby leading to consistent under‐estimation of egg deposition rates. [ABSTRACT FROM AUTHOR]

The difficulty to dissect and weigh very tiny gonads and several fish specimens for the purpose of computing gonadosomatic indices (GSIs) due to non-availability of reliable electric power supply under field conditions, necessitated the study. This paper presents the performance of the gonad length indices vis-a-vis the traditional GSIs. The gonad elongation ratio (GER) (i.e. gonad length as a function of fish standard length expressed as a percentage) is here proposed for use in analyzing teleost fish breeding seasonality. The West African amphibious mudskipper, Periophthalmus barbarus (Linneaus, 1766) (Teleostei: Gobiidae) from the Imo River estuary, Nigeria, was used as the trial species. Monthly mean testicular and ovarian elongation ratios were examined vis--a--vis the classical testicular and ovarian gonadosomatic indices. The monthly mean gonad elongation ratios followed similar monthly mean sequences of the corresponding gonadosomatic indices. Mean GSI was 0.192 in males (range 0.097 -- 0.347) and 1.197 in females (range 0.512 -- 3.398); whereas mean GER was 16.5 for males (varied from 12.9 to 19.2) and 19.5 in females (ranged between 16.8 and 25.3). However, the gonad elongation ratios fluctuated more finely than the gonadosomatic indices. It is 2 - 3 times much easier and faster to determine gonad elongation ratio in the field than the gonadosomatic index. The determination of gonadosomatic indices require the use of sensitive electronic balance and reliable electric power supply while these are not necessities for the determination of gonad elongation ratios. Being a quantitative measure, the gonad elongation ratio can be subjected to statistical reliability estimates such as standard deviation, standard error and confidence intervals. The gonad elongation ratio which is quantitative and has biological interpretation that is analogous to the traditional gonadosomatic index, is recommended for use. [ABSTRACT FROM AUTHOR]

The duals of the most spherical closo borane deltahedra having from 6 to 16 vertices form a series of homologous spherical trivalent polyhedra with even numbers of vertices from 8 to 28. This series of homologous polyhedra is found in endohedral clusters of the group 14 atoms such as the endohedral germanium cluster anions [M@Ge10]3− (M = Co, Fe) and [Ru@Ge12]3− The next members of this series have been predicted to be the lowest energy structures of the endohedral silicon clusters Cr@Si14 and M@Si16 (M = Zr, Hf). The largest members of this series correspond to the smallest fullerene polyhedra found in the endohedral fullerenes M@C28 (M = Zr, Hf, Th, U). The duals of the oblate (flattened) ellipsoidal deltahedra found in the dirhenaboranes Cp*2Re2Bn−2Hn−2 (Cp* = η5-Me5C5; 8 ≤ n ≤ 12) are prolate (elongated) trivalent polyhedra as exemplified experimentally by the germanium cluster [Co2@Ge16]4− containing an endohedral Co2 unit. [ABSTRACT FROM AUTHOR]

The rivers of southern England and northern France which drain into the English Channel contain several genetically unique groups of trout (Salmo trutta L.) that have suffered dramatic declines in numbers over the past 40 years. Knowledge of levels and patterns of genetic diversity is essential for effective management of these vulnerable populations. Using restriction site‐associated DNA sequencing (RADseq) data, we describe the development and characterisation of a panel of 95 single nucleotide polymorphism (SNP) loci for trout from this region and investigate their applicability and variability in both target (i.e., southern English) and non‐target trout populations from northern Britain and Ireland. In addition, we present three case studies which demonstrate the utility and resolution of these genetic markers at three levels of spatial separation:(a) between closely related populations in nearby rivers, (b) within a catchment and (c) when determining parentage and familial relationships between fish sampled from a single site, using both empirical and simulated data. The SNP loci will be useful for population genetic and assignment studies on brown trout within the UK and beyond. [ABSTRACT FROM AUTHOR]

Sanitary inspections (SIs) are checklists of questions used to identify actual and potential sources and pathways of drinking water contamination. Though the importance of SI adaptation to local contexts is widely acknowledged, there is currently limited guidance on how this should be undertaken in practice. During this research, World Health Organization (WHO) draft template SI forms for spring and borehole supplies were adapted for use in Iceland based on a series of desk reviews and field tests, an approach which may guide other future SI adaptation processes. SI results were collected from 25 spring supplies and nine borehole supplies in three regions of Iceland using adapted SI forms. These results were combined with 10-year historical water quality data from the same supplies to explore potential relationships between both data sets. Binary logistic regression test results indicated a statistically significant association (P = 0.025; odds ratio (OR) 1.864, 95% C11.080-3.220) between SI Question 3 (Does ponding from surface water occur around the spring/borehole?) receiving a 'High' risk level assignment and at least one historical incidence of water quality noncompliance for the parameters heterotrophic plate count 22 °C, total coliforms, Escherichia coli, and turbidity at the same supply. The significant modifications applied to the starting template during the testing and development of the Icelandic SI form emphasises the importance of a robust adaptation process to ensure SI forms are appropriate for the local context. Results from the analysis of SI and water quality test results demonstrated the potential for these data sets to identify the primary risks at a supply. This information may then be used to direct remedial actions, especially when the amount of relevant data increases over time. [ABSTRACT FROM AUTHOR]

The stocking of hatchery‐origin fish into rivers and lakes has long been used in fisheries management to try to enhance catches, especially for trout and salmon species. Frequently, however, the long‐term impacts of stocking programmes have not been evaluated. In this study, the authors investigate the contribution of a stocking programme undertaken to support the rod catch of sea trout in the Shetland Islands, UK. Once a highly productive recreational fishery, Shetland sea trout catches crashed in the mid‐1990s. Around the time that stocking began, increases in rod catches were also reported, with advocates of the stocking highlighting the apparent success of the programme. Using a suite of genetic markers (microsatellites), this study explores the contribution of the stocking programme to the Shetland sea trout population. The authors found that the domesticated broodstock and wild spawned brown trout from seven streams were genetically distinct. Despite extensive stocking, wild spawned brown trout dominated, even in those streams with a long history of supplementation. The majority of sea trout caught and analysed were of wild origin – only a single individual was of pure stocked origin, with a small number of fish being of wild × stocked origins. This study suggests that stocking with a domesticated strain of brown trout has made only a very limited contribution to the Shetland Islands rod catch, and that the revival of sea trout numbers appears to be driven almost exclusively by recovery of trout spawned in the wild. [ABSTRACT FROM AUTHOR]

The COVID‐19 pandemic is a major shock to society in terms of health and economy that is affecting both UK and global food and nutrition security. It is adding to the 'perfect storm' of threats to society from climate change, biodiversity loss and ecosystem degradation, at a time of considerable change, rising nationalism and breakdown in international collaboration. In the UK, the situation is further complicated due to Brexit. The UK COVID‐19Food andNutritionSecurity project, lasting one year, is funded by the Economic and Social Research Council and is assessing the ongoing impact of COVID‐19 on the four pillars of food and nutrition security: access, availability, utilisation and stability. It examines the food system, how it is responding, and potential knock on effects on the UK's food and nutrition security, both in terms of the cascading risks from the pandemic and other threats. The study provides an opportunity to place the initial lessons being learnt from the on‐going responses to the pandemic in respect of food and nutrition security in the context of other long‐term challenges such as climate change and biodiversity loss. [ABSTRACT FROM AUTHOR]

The presence of deformation bands in Upper Cretaceous–Pleistocene sediments of the St Vincent and Lake Eyre basins, South Australia supports the occurrence of intraplate normal and reverse faulting in this region throughout the Cenozoic. Current tectonic models for the development of this region lack structural evidence and underestimate the role and influence of extensional tectonics in the Cenozoic tectonic evolution of the Mount Lofty Ranges and Flinders Ranges. This lack of understanding has resulted in poor structural and chronological constraints of the regions paleostress models. For the first time, we use detailed mapping and structural analysis of deformation bands across different chronostratigraphic units to identify variations in paleostress. Deformation bands are discrete, measurable strain features that develop readily in clastic sedimentary rocks in response to regional stress. We present a comprehensive structural analysis of five study sites across six chronostratigraphic units adjacent to the Mount Lofty Ranges and Flinders Ranges. Here, we have recorded 737 cataclastic and dilation bands and 397 fractures adjacent to reactivated Cenozoic faults, which reveal step changes in structural sets, identifying temporal constraints for our paleostress model. Our analysis supports the notion of a regional late Miocene shift in the paleostress regime from N–S extension to N–S compression, followed by a rotation of the maximum horizontal stress (σH) from NW–SE to E–W. This coincides with a well-documented pulse of late Miocene–Pliocene compression and uplift observed throughout southeastern Australia. Our results indicate that deformation bands are a useful resource for constraining discrete changes in local stress regimes and enhance our understanding of dynamic intraplate strain accommodation within the Mount Lofty Ranges and Flinders Ranges. These have proven useful for hydrocarbon and mineral exploration in neighbouring Otway Basin and Gippsland Basin. [ABSTRACT FROM AUTHOR]

We used microsatellite markers to investigate levels and structuring of genetic diversity in trout (Salmo trutta L.) sampled from 16 rivers along the south coast of Cornwall in southwest England. This region is characterized by many small coastal streams with a few larger catchments. At a regional level, genetic structuring of contemporary populations has been influenced by a combination of events, including the last Ice Age and also more recent human activities over the last millennium. All populations are shown to have gone through strong genetic bottlenecks, coinciding with increased exploitation of mineral resources within catchments, beginning during the Medieval period. At more local levels, contemporary human‐induced habitat fragmentation, such as weir and culvert construction, has disproportionally affected trout populations in the smaller catchments within the study area. However, where small catchments are relatively unaffected by such activities, they can host trout populations with diversity levels comparable to those found in larger rivers in the region. We also predict significant future loses of diversity and heterozygosity in the trout populations inhabiting small, isolated catchments. Our study highlights how multiple factors, especially the activity of humans, have and continue to affect the levels and structuring of genetic diversity in trout over long timescales. [ABSTRACT FROM AUTHOR]

Adaptive antibody responses provide a crucial means of host defense against viral infections by mediating the neutralization and killing infectious pathogens. At the forefront of humoral defense against viruses lie a subset of innate-like serum antibodies known as natural antibodies (NAbs). NAbs serve multifaceted functions in host defense and play an essential role in early immune responses against viruses. However, there remain many unanswered questions with regard to both the breadth of viral antigens recognized by NAbs, and how B cell ontology and individual antigenic histories intersect to control the development and function of antiviral human NAbs. In the following article we briefly review the current understanding of the functions and source of NAbs in the immune repertoire, their role during antiviral immune responses, the factors influencing the maturation of the NAb repertoire, and finally, the gaps and future research needed to advance our understanding of innate-like B cell biology for the purpose of harnessing NAbs for host defense against viral infections. [ABSTRACT FROM AUTHOR]

• Spectroscopic methods or unstructured biological models lead to poor state estimates. • Using PLS-based estimates as inputs to a model-based estimator leads to good results. • Experiments show the successful application of a combination of NIR and a SPKF. • Low model quality can therefore be compensated for by this hybrid approach. Typically available online measurements in cultivations do not yield enough information to build up an optimization-based control for which model-based estimation techniques are necessary. More specifically, real-time information about the concentrations of substrates and biomass is the key to controlling and optimizing cultivations in a bioreactor. In addition to established techniques such as the measurement of dissolved oxygen, off-gas composition, and the amount of spent correction fluids for pH control, inline near-infrared spectroscopy (NIR) offers the possibility of gathering information online to estimate those concentrations, without the need for manual sampling. The NIR data can be transformed via the widely applied partial least squares (PLS) regression to estimate substrate and biomass concentrations. However, the spectra are corrupted by disturbances, such as gas bubbles from sparging, that can result in noisy and defective spectra and thus may lead to highly imprecise measurements. For feedback control, such imprecisions can lead to wrong decisions with respect to feeding rates, which may be hard to compensate for at a later stage. Moreover, information about operating conditions and physical constraints, such as feeding profiles and kinetic relations between substrates that could be used to rectify erroneous predictions, are disregarded in the PLS model. In this paper, we therefore present a hybrid approach of NIR spectroscopy and nonlinear, model-based state estimation to enable improved quality in the online estimation of substrates and biomass in aerated yeast cultivations. The feeding rates, off-gas concentrations, NIR spectra, and knowledge about the dynamics of the process are integrated seamlessly in a sigma-point Kalman filter (SPKF). The latter is formulated such that it is able to handle physical boundaries, which is especially important for fed-batch cultivations. In order to evaluate the hybrid approach, it is compared to different scenarios typically applied in fermentations. One uses only NIR data with a PLS regression model. The other works with an SPKF, but without NIR information. It is shown that the presented hybrid method outperforms the methods applied separately for the estimation of biomass, glucose, ethanol, ammonium, and phosphate in cultivations of a new, genetically modified strain of Saccharomyces cerevisiae. As only a few cultivations are needed for calibration, a reliable online state estimation is available in the early stage of development of this process. [ABSTRACT FROM AUTHOR]

Interplay between d- and f-block coordination schemes is depicted for the borderline element, thorium. [Display omitted] • Early actinides role of d- and f-block orbitals. • Different coordination schemes for the borderline element, thorium. • Quantification of d- and f-block orbital contribution. • Rationalization of low and high spin electronic states based on ligand field. Early actinides lie at the borderline between d- and f-block elements. Here we describe the coordination capabilities of thorium featuring characteristics from both blocks. Thus analysis of the recently synthesized monoanion [Cp 3 Th]− indicates a diamagnetic singlet d2f0 ground state for the central thorium(II) atom. In this species the trigonal (Cp 3)3− ligand system provides a strong ligand field for the thorium d-orbitals accounting for the low spin of this system. This differs from the high spin unambiguous f-element analogue, [Cp 3 U]−. For the d0f0 thorium(IV) complex (η8-C 8 H 8) 2 Th both π→d and π→f forward bonding is observed, where a comparison with (η8-C 8 H 8) 2 U is given. This indicates that a borderline element such as thorium can exhibit either d- or f-block character according to the surrounding ligand field. [ABSTRACT FROM AUTHOR]

Littlewood--Richardson (LR) coefficients cμvλ may be evaluated by means of several combinatorial models. These include not only the original one, based on the LR rule for enumerating LR tableaux of skew shape λ/μ and weight v, but also one based on the enumeration of LR hives with boundary edge labels λ, μ, and v. Unfortunately, neither of these reveals in any obvious way the well-known symmetry property cμvλ = cμvλ. Here we introduce a map σ(n) on LR hives that interchanges contributions to cμvλ and cvμλ for any partitions λ, μ,v of lengths no greater than n, and then we prove that it is a bijection, thereby making manifest the required symmetry property. The map σ(n) involves repeated path removals from a given LR hive with boundary edge labels (λ, μ, v ) that give rise to a sequence of hives whose left-hand boundary edge labels define a partner LR hive with boundary edge labels (λ,v, μ ). A new feature of our hive model is its realization in terms of edge labels and rhombus gradients, with the latter playing a key role in defining the action of path removal operators in a manner designed to preserve the required hive conditions. A consideration of the detailed properties of the path removal procedures also leads to a wholly combinatorial selfcontained hive based proof that σ(n) is an involution. [ABSTRACT FROM AUTHOR]

Presents a study which examined the photoinjected hot-electron damage in silicon point-contract solar cells. Increase in recombination centers at the silicon oxide/silicon dioxide interface; Results; Discussion.

Peak oxygen uptake (VO2peak) is commonly indexed by total body weight (TBW) to determine cardiopulmonary fitness (CPF). This approach may lead to misinterpretation, particularly in obese subjects. We investigated the normalization of VO2peak by different body composition markers. We analyzed combined data of 3848 subjects (1914 women; 49.7%), aged 20-90, from two independent cohorts of the population-based Study of Health in Pomerania (SHIP-2 and SHIP-TREND). VO2peak was assessed by cardiopulmonary exercise testing. Body cell mass (BCM), fat-free mass (FFM), and fat mass (FM) were determined by bioelectrical impedance analysis. The suitability of the different markers as a normalization variable was evaluated by taking into account correlation coefficients (r) and intercept (α-coefficient) values from linear regression models. A combination of high r and low α values was considered as preferable for normalization purposes. BCM was the best normalization variable for VO2peak (r = .72; P ≤ .001; α-coefficient = 63.3 mL/min; 95% confidence interval [CI]: 3.48-123) followed by FFM (r = .63; P ≤ .001; α-coefficient = 19.6 mL/min; 95% CI: -57.9-97.0). On the other hand, a much weaker correlation and a markedly higher intercept were found for TBW (r = .42; P ≤ .001; α-coefficient = 579 mL/min; 95% CI: 483 to 675). Likewise, FM was also identified as a poor normalization variable (r = .10; P ≤ .001; α-coefficient = 2133; 95% CI: 2074-2191). Sex-stratified analyses confirmed the above order for the different normalization variables. Our results suggest that BCM, followed by FFM, might be the most appropriate marker for the normalization of VO2peak when comparing CPF between subjects with different body shape. [ABSTRACT FROM AUTHOR]

Measurements of the vortex-induced vibrations of an instrumented catenary model riser with high curvature and very low bending stiffness are presented and discussed. The riser had a diameter of 56 mm and a length of 5.36 m. It was tensioned only by its own weight and by drag and was tested in a recirculating water channel 2m deep at flow speeds up to 1.4 m/s in both directions, i.e. with the upstream anchorage on the floor of the tank and the downstream one at the surface (defined as positive current cases), and then vice versa (negative currents). In many cases much of the riser rested on the tank floor with the touch-down point determined by the flow-induced forces on it. Attention is focused mainly on the frequencies of cross-flow vibrations after careful analysis of the effects of gravitational contamination on acceleration measurements. Response spectra were found to have a higher bandwidth than those of tensioned risers perpendicular to the flow and often exhibited more than one distinct peak. Dimensionless peak frequencies (having been normalised with respect to the diameter and a characteristic velocity) were much lower than that associated with a Strouhal number in the region of 0.2. In positive currents (based on the normal incident velocity at the top of the riser, where it was near vertical) it was generally uniform over the length of the riser at about 0.11. In negative currents, away from the tank floor, the riser’s profile was a straight line whose inclination was such that the normal incident velocity was independent of the current speed when this exceeded about 0.5 m/s. In these conditions the dimensionless peak frequency (based on the uniform normal incident velocity) was about 0.13. [ABSTRACT FROM AUTHOR]

Criterion data for total energy expenditure (TEE) in elite rugby are lacking, which prediction equations may not reflect accurately. This study quantified TEE of 27 elite male rugby league (RL) and rugby union (RU) players (U16, U20, U24 age groups) during a 14-day in-season period using doubly labelled water (DLW). Measured TEE was also compared to estimated, using prediction equations. Resting metabolic rate (RMR) was measured using indirect calorimetry, and physical activity level (PAL) estimated (TEE:RMR). Differences in measured TEE were unclear by code and age (RL 4369 ± 979; RU 4365 ± 1122; U16, 4010 ± 744; U20, 4414 ± 688; U24, 4761 ± 1523 Kcal day- 1). Differences in PAL (overall mean 2.0 ± 0.4) were unclear. Very likely differences were observed in RMR by code (RL 2366 ± 296; RU 2123 ± 269 Kcal day- 1). Differences in relative RMR between U20 and U24 were very likely (U16, 27 ± 4; U20, 23 ± 3; U24, 26 ± 5 Kcal kg- 1 day- 1). Differences were observed between measured and estimated TEE, using Schofield, Cunningham and Harris-Benedict equations for U16 (187 ± 614, unclear; - 489 ± 564, likely and - 90 ± 579, unclear Kcal day- 1), U20 (- 449 ± 698, likely; - 785 ± 650, very likely and - 452 ± 684, likely Kcal day- 1) and U24 players (- 428 ± 1292; - 605 ± 1493 and - 461 ± 1314 Kcal day- 1, all unclear). Rugby players have high TEE, which should be acknowledged. Large inter-player variability in TEE was observed demonstrating heterogeneity within groups, thus published equations may not appropriately estimate TEE. [ABSTRACT FROM AUTHOR]

The vanadium-vanadium interactions in the polygonal aggregates of d1 vanadium(IV) atoms, with a total of 4k + 2 vanadium electrons (k an integer) imbedded in an electronically inactive borate matrix in certain vanadoborate structures are analogous to the ring carbon-carbon interactions in diamagnetic planar cyclic hydrocarbons. They thus represent a high-spin analogue of aromaticity. Thus, the vanadoborate anion [V6B20O50H8]8− with six V(IV) electrons (i.e., 4k + 2 for k = 1) contains a macrohexagon of d1 V(IV) atoms with four unpaired electrons. This high-spin system is related to the low-spin aromaticity in the diamagnetic benzene having six π electrons. Similarly, the vanadoborate anion [V10B28O74H8]16− with ten V(IV) electrons (i.e., 4k + 2 for k = 2) contains a macrodecagon of d1 V(IV) atoms with eight unpaired electrons. Again, this high-spin system is related to the aromaticity in the diamagnetic 1,6-methanol[10]annulene, having ten π electrons. [ABSTRACT FROM AUTHOR]

The most common manifestations of seasonal infertility are delayed puberty, prolonged weaning to oestrus intervals and a reduced farrowing rate brought about by increased returns to oestrus, including a proportionally higher incidence of irregular returns to oestrus. Over the past 40 years, there has been considerable investment in Australian pig research that has generated extensive knowledge about the physiological mechanisms behind seasonal infertility. While some of the physiological mechanisms allowing the expression of seasonal infertility still remain unclear, a number of possible intervention strategies have been developed and investigated to ameliorate the effects of seasonal infertility in commercial production. For commercial pork producers, there is considerable information available that is based on both research and practical experience, which the farmers can use to identify strategies to minimise the impact of seasonal infertility on the farm. The industry still provides some support to research and development efforts to address seasonal infertility, although, in the future, it may be more targeted to identifying interventions to ameliorate the impact of seasonal infertility in affected herds, rather than undertaking intensive studies into the possible mechanisms and reasons behind this very complex syndrome. [ABSTRACT FROM AUTHOR]

The growth, interaction and controls on normal fault systems developed within stacked delta systems at extensional delta-top settings have not been extensively examined. We aim to analyse the kinematic, spatial and temporal growth of a Cretaceous aged, thin-skinned, listric fault system in order to further the understanding of how gravity-driven fault segments and fault systems develop and interact at an extensional delta-top setting. Furthermore, we aim to explore the influence of a pre-existing structural framework on the development of gravity-driven normal faults through the examination of two overlapping, spatially and temporally distinct delta systems. To do this, we use three-dimensional (3D) seismic reflection data from the central Ceduna Sub-basin, offshore southern Australia. The seismic reflection data images a Cenomanian-Santonian fault system, and a post-Santonian fault system, which are dip-linked through an intervening Turonian-early Campanian section. Both of these fault systems contain four hard-linked strike assemblages oriented NW-SE (127-307), each composed of 13 major fault segments. The Cenomanian-Santonian fault system detaches at the base of a shale interval of late Albian age, and is characterised by kilometre-scale growth faults in the Cenomanian-Sanontian interval. The post-Santonian fault system nucleated in vertical isolation from the Cenomanian-Santonian fault system. This is evident through displacement minima observed at Turonian-early Campanian levels, which is indicative of vertical segmentation and eventual hard dip-linkage. Our analysis constrains fault growth into four major evolutionary stages: (1) early Cenomanian nucleation and growth of fault segments, resulting from gravitational instability, and with faults detaching on the lower Albian interval; (2) Santonian cessation of growth for the majority of faults; (3) erosional truncation of fault upper tips coincident with the continental breakup of Australia and Antarctica ( ca. 83 Ma); (4) Campanian-Maastrichtian reactivation of the underlying Cenomanian-Santonian fault system, inducing the nucleation, growth and consequential dip-linkage of the post-Santonian fault system with the underlying fault system. Our results highlight the along-strike linkage of fault segments and the interaction through dip-linkage and fault reactivation, between two overlapping, spatially and temporally independent delta systems of Cenomanian and late Santonian-Maastrichtian age in the frontier Ceduna Sub-Basin. This study has implications regarding the growth of normal fault assemblages, through vertical and lateral segment linkage, for other stacked delta systems (such as the Gulf of Mexico) where upper delta systems develop over a pre-existing structural framework. [ABSTRACT FROM AUTHOR]

Experimentally characterized endohedral metallofullerenes are of current interest in expanding the range of viable fullerenic structures and their applications. Smaller metallofullerenes, such as M@C28, show that several d- and f-block elements can be efficiently confined in relatively small carbon cages. This article explores the potential capabilities of the smallest fullerene cage, that is, C20, to encapsulate p-block elements from group 14, that is, E = Si, Ge, Sn, and Pb. Our interest relates to the bonding features and optical properties related to E@C20. The results indicate both s- and p-type concentric bonds, in contrast to the well explored endohedral structures encapsulating f-block elements. Our results suggest the E@C20 series to be a new family of viable endohedral fullerenes. In addition spectroscopic properties related to electron affinity, optical, and vibrational were modeled to gain further information useful for characterization. Characteristic optical patterns were studied predicting a distinctive first peak located between 400 and 250 nm, which is red-shifted going to the heavier encapsulated Group 14 atoms. Electron affinity properties expose different patterns useful to differentiate the hollow C20 fullerene to the proposed p-block endohedral counterparts. © 2017 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

Free-roaming five-striped squirrels (Funambulus pennanti), an invading species in Israel, were trapped in the Ramon crater, Negev desert, anesthetized and blood samples were collected for comprehensive hematology and serum chemistry analyses, which are described herein, and compared with data obtained for other squirrel species. Suggested reference intervals (RIs) were calculated. Polychromasia and Howell-Jolly bodies (HJB) were common findings, while mild metarubricytosis was present in 6/45 squirrels. In 30/53 animals (57%) intra-erythrocyte basophilic polygonal granular inclusions resembling HJBs in size and color were noted. The total leukocytes count was positively and significantly moderately to strongly correlated with the absolute neutrophil, monocyte and lymphocyte counts. The neutrophil and monocyte morphologies resembled that of their corresponding canine cells. Eosinophils were uncommon, and resembled porcine eosinophils, while basophils showed intense metachromasia and were rare. The ranges of the results of serum amylase, alkaline phosphatase (ALP), creatine kinase (CK) activities and of serum creatinine, phosphorus and urea concentrations were very wide. Serum total bilirubin (tBr) was >7 mg/dL in 41/41 squirrels. The proposed RI for β-hydroxybutyric acid is relatively higher compared to other species (0.5-3.7 mmol/L). There were significant weak to moderate positive correlations between several serum chemistry analytes, but not between serum creatinine and urea concentrations. Muscle alanine aminotransferase content in the five-striped palm squirrel was low and most of its activity was likely of hepatocellular origin. gamma-glutamyl-tranferase (GGT) activities in the five-striped squirrel was low. Serum ALP activity and serum phosphorus concentrations were moderately correlated and both analytes were higher in young animals compared to adults. [ABSTRACT FROM AUTHOR]

Obesity is associated with lower vitamin D levels compared with normal weight subjects, and if levels are not replaced prior to bariatric surgery, this can increase fracture risk as bone density typically falls post-operatively. We analysed the effect of body mass index (BMI) on vitamin D levels in response to 300 000 IU of colecalciferol in patients with vitamin D deficiency (<30 nmol L−1). Patients were grouped according to their BMI as normal weight (20-24.9 kg m−2), overweight (25-29.9 kg m−2), obese class I (30-34.9 kg m−2) and obese class II and above (>35 kg m−2). The records were retrospectively analysed to investigate the effects of BMI on vitamin D (total 25-hydroxy vitamin D [25(OH)D]), serum Ca2+ and parathyroid hormone (PTH) levels at 6, 12, 26 and 52 weeks compared with baseline. Compared with normal weight subjects, overweight and obese patients achieved lower mean peak total 25(OH)D levels (6 weeks post-loading), which was most significant in the class II and above group (mean total 25(OH)D levels 96.5 ± 24.2 nmol L−1 and 72.42 ± 24.9 nmol L−1, respectively; P = 0.003). By 26 weeks, total 25(OH)D levels fell in all groups; however, there was now a significant difference between the normal weight subjects and all other groups (mean total 25(OH)D levels 84.1 ± 23.7 nmol L−1; 58 ± 20 nmol L−1, P = 0.0002; 62.65 ± 19.2 nmol L−1, P = 0.005; 59.2 ± 21 nmol L−1, P = 0.005, respectively). Far fewer patients in the overweight and obese groups maintained levels above the recommended level of 75 nmol L−1 52 weeks post-loading (93%; 20%, P = 0.0003; 23%, P = 0.01; and 14%, P = 0.001, respectively). Alternative regimes for the treatment of vitamin D deficiency are needed in overweight and obese patients, especially those in whom bariatric surgery is planned. [ABSTRACT FROM AUTHOR]

The experimentally characterized endohedral metallic fullerenes involving the small C28 cage, has shown to be able to encapsulate zirconium, hafnium, and uranium atoms, among other elements. Here, we explore the formation and nature of concentric bonds from purely d- to f-block elements, given by Zr, Hf, and uranium, along a borderline metal between such blocks, thorium. We explore the interplay of d- and f-orbitals in the chemistry of the early actinides, where the features of a d- or f-block metal can be mixed. Our results indicate that the bonding of Th@C28 involves contributions from both d- and f-type bonds, as characteristic of this early actinide element. Even uranium in U@C28, also exhibits a contribution from d-type bonds in addition to its relevant f-block character. Electron affinity and optical properties were evaluated to gain more insights into the variation of these molecular properties in this small endohedral fullerene, along Zr, Hf, Th, and U. The current results, allows to unravel the role of ( n − 1)d and ( n − 2)f orbitals in confined elements ranging from d- to f-blocks, which can be useful to gain a deeper understanding of the bonding situation in other endohedral species. © 2016 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

For effective management, information on the stock composition of a fishery is essential. Here, the utility of a resident trout, Salmon trutta L, microsatellite baseline to determine the origins of sea trout entering the rivers Tamar, Tavy and Lynher in south-west England is highlighted - all share a common estuary and have major runs of sea trout. There is a high degree of geographical structuring of the genetic variation in the baseline rivers. Testing with simulated and real data sets showed fish can be assigned to reporting group with a high degree of accuracy. Mixed stock analysis of >1000 sea trout showed that fish entering the Tamar and Tavy constituted mixed stocks. Significantly, in the Tamar, non-natal origin sea trout are restricted to the lower catchment. As well as providing insight into sea trout behaviour, this study also has important implications for the management of recreational rod and line fisheries. [ABSTRACT FROM AUTHOR]

Brown trout, Salmo trutta, exhibit one of the most highly variable and polytypic life-history strategies of all salmonids. Populations may be wholly freshwater-resident or almost exclusively migratory (anadromous), or fish of a single population may exhibit varying proportions of the two life-history strategies. Both anadromous and freshwater-resident trout freely interbreed to produce fertile offspring., We quantify maternal reproductive provisioning by anadromous and freshwater-resident brown trout to their offspring and assess relative parental fitness (in terms of number, size and time of emergence of offspring). Newly emerged juvenile trout (fry) were sampled ( n = 119) over the emergence period in March-April 2007 in a lowland English chalk stream; samples of adult trout [anadromous (6F : 12M) and freshwater-resident (22F : 56M)], river-resident trout parr and macroinvertebrate prey were also collected., Using a novel combination of stable isotope analysis and microsatellite genotyping we demonstrate the overwhelming contribution of anadromous parents (both female and male) to fry production, despite the obvious presence and numerical dominance of resident adults. We unambiguously identify the maternal origins of 78% of juveniles sampled and show that maternal reproductive contribution to juvenile production in the river was higher for anadromous females (76%) than freshwater-resident fish (2.5%). Offspring of anadromous females emerged earlier and at a larger body size than offspring of resident females. Similarly, while the relative contribution of resident males (37%) was higher than that of resident females, anadromous males sired considerably more offspring (63%) than resident males. This is the first study of its kind to accurately assess the reproductive contribution of anadromous male trout., Overall, this study suggests that anadromous maternal traits provide offspring with an adaptive advantage and greater fitness in early ontogeny, and that a small number of anadromous females (six of 96 adults sampled) are the main drivers of reproduction in this system. [ABSTRACT FROM AUTHOR]

The article discusses the discovery of the presumed remains of Italian polymath Leonardo Da Vinci which was found at the chapel of Saint Hubert in Loire Valley, France in 1963 by novelist and art critic Arsène Houssaye. It notes that the excavated remains is expected to reveal valuable information about Leonardo including his personal habits, physical appearance and state of health.

In December 2013, as a part of the establishment of the 'Israel Wildlife Diseases Surveillance'(IWDS) Program, building on the 'One Health' approach for human, livestock and wildlife disease control, a prioritization exercise using a validated risk analysis method was carried out by distributing online questionnaires to 86 relevant experts. The results were subsequently presented in the prioritization of a wildlife surveillance workshop, compiling the risk assessments of 51 pathogens by human, livestock, wildlife and total risks. The endemic diseases, brucellosis, rabies and foot and mouth disease ranked as the highest risks. The Risk Analysis method was used successfully in the prioritization exercise. Furthermore, the results combined surveillance priorities of relevant stakeholders and will be used in planning and implementing the national surveillance program. [ABSTRACT FROM AUTHOR]

Natural immunoglobulin derived from innate-like B lymphocytes plays important roles in the suppression of inflammatory responses and represents a promising therapeutic target in a growing number of allergic and autoimmune diseases. These antibodies are commonly autoreactive and incorporate evolutionarily conserved specificities, including certain glycan-specific antibodies. Despite this conservation, exposure to bacterial polysaccharides during innate-like B lymphocyte development, through either natural exposure or immunization, induces significant changes in clonal representation within the glycan-reactive B cell pool. Glycan-reactive natural antibodies (NAbs) have been reported to play protective and pathogenic roles in autoimmune and inflammatory diseases. An understanding of the composition and functions of a healthy glycan-reactive NAb repertoire is therefore paramount. A more thorough understanding of NAb repertoire development holds promise for the design of both biological diagnostics and therapies. In this article, we review the development and functions of NAbs and examine three glycan specificities, represented in the innate-like B cell pool, to illustrate the complex roles environmental antigens play in NAb repertoire development. We also discuss the implications of increased clonal plasticity of the innate-like B cell repertoire during neonatal and perinatal periods, and the prospect of targeting B cell development with interventional therapies and correct defects in this important arm of the adaptive immune system. [ABSTRACT FROM AUTHOR]

Background Sickness certification poses significant challenges to most general practitioners (GPs). As an alternative form of certification, in 2010, the UK implemented the 'fit note', which focuses on returning to work after illness. It has been well received in the UK but little is known of non-UK GP attitudes towards the fit note. Aims To evaluate the challenges Irish GPs experience with the current sickness certification system and their attitudes towards the fit note. Methods A questionnaire assessing attitudes, practices and preferences regarding the fit note was developed, piloted and posted to a representative sample of Irish GPs selected by systematic sampling. Descriptive statistics, chi-square tests and binary logistic regression were used to analyse the results. Results Of 305 GPs surveyed, 64% (196) completed the survey. Ninety per cent (177) of responders reported a lack of available rehabilitation services for patients on sick leave and 66% (124) reported adverse effects of sickness certification on therapeutic relationships with patients. Those who indicated a preference for introducing the fit note (53%; 104) were significantly more likely to endorse both an excessive focus on disability [odds ratio (OR) = 3.16] and lack of GP training (OR = 2.04) in the sickness certification process. Conclusions Difficulties associated with sickness certification are apparent at GP-patient, GP-employer and GP-health service levels. Addressing these will require intervention at each of these levels and may be facilitated by challenging the assumption that illness equates to disability. [ABSTRACT FROM AUTHOR]

Density functional theory shows that the lowest energy CpMoC3B n−4H n−1 ( n = 8, 9, 10, 11) structures are based on isocloso or similar deltahedra with the molybdenum atom at a degree 6 vertex. Such deltahedra include the capped pentagonal bipyramid for the 8-vertex system. Among such geometries the lowest energy structures have the carbon atoms at the lowest degree vertices (typically degree 4 vertices), no pairs of adjacent carbon atoms (i.e., no C-C edges), and the maximum number of Mo-C edges. Optimizing these factors favoring low-energy CpMoC3B n−4H n−1 ( n = 8, 9, 10, 11) structures leads to a unique lowest energy structure lying more than 10 kcal/mol below the next lowest energy structure for the 8-, 10-, and 11-vertex systems. However, the 9-vertex CpMoC3B5H8 system has three structures within 8 kcal/mol including a structure based on the closo tricapped trigonal prism rather than the isocloso 9-vertex deltahedron. © 2015 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

We aimed to identify effective behaviour change techniques to increase modern contraceptive use in low and middle income countries (LMICs). Literature was identified in Global Health, Web of Science, MEDLINE, PsycINFO and Popline, as well as peer reviewed journals. Articles were included if they were written in English, had an outcome evaluation of contraceptive use, modern contraceptive use, contraceptive initiation/uptake, contraceptive adherence or continuation of contraception, were a systematic review or randomised controlled trial, and were conducted in a low or middle income country. We assessed the behaviour change techniques used in each intervention and included a new category of male partner involvement. We identified six studies meeting the inclusion criteria. The most effective interventions were those that involve male partner involvement in the decision to initiate contraceptive use. The findings also suggest that providing access to contraceptives in the community promotes their use. The interventions that had positive effects on contraceptive use used a combination of behaviour change techniques. Performance techniques were not used in any of the interventions. The use of social support techniques, which are meant to improve wider social acceptability, did not appear except in two of the interventions. Our findings suggest that when information and contraceptives are provided, contraceptive use improves. Recommendations include reporting of behaviour change studies to include more details of the intervention and techniques employed. There is also a need for further research to understand which techniques are especially effective. [ABSTRACT FROM AUTHOR]

The experimental realization of pentagonal prismatic structures for M@(M = Co, Fe) containing interstitial transition metal atoms makes of interest the chemistry of corresponding manganese derivatives Mn@. The neutral Mn@Ge10may be regarded as a complex of a polyhedralligand with an interstitial Mn in the +2 oxidation state. However, the lowest energy Mn@Ge10structure with the expected sextet spin state for high-spin d5Mn(II) lies ~23 kcal mol−1in energy above the lowest energy isomer thereby suggesting that such germanium polyhedra function as strong field ligands for encapsulated transition metals. The lowest energy structures for the Mn@anions (z = −1 to −5) are all centered pentagonal prisms. Higher energy Mn@structures have outer Ge10polyhedra based on the tetracapped trigonal prism similar to the lowest energy Co@structure and on the bicapped square antiprism similar to the B10deltahedron. Other Mn@structures have outer Ge10polyhedra with four or five quadrilateral faces as well as six or eight triangular faces, respectively. Bioctahedral (Ge5)2Mn5−structures were also found for the pentaanion with a manganese vertex common to two MnGe5octahedra. The cationic species Mn@was found to have a more complicated potential surface than the anions. Tetracapped trigonal prismatic and bicapped square antiprismatic structures as well as a variety of more open structures were found for Mn@. [ABSTRACT FROM AUTHOR]

Humans have exploited the earth's metal resources for thousands of years leaving behind a legacy of toxic metal contamination and poor water quality. The southwest of England provides a well-defined example, with a rich history of metal mining dating to the Bronze Age. Mine water washout continues to negatively impact water quality across the region where brown trout (Salmo trutta L.) populations exist in both metal-impacted and relatively clean rivers. We used microsatellites to assess the genetic impact of mining practices on trout populations in this region. Our analyses demonstrated that metal-impacted trout populations have low genetic diversity and have experienced severe population declines. Metal-river trout populations are genetically distinct from clean-river populations, and also from one another, despite being geographically proximate. Using approximate Bayesian computation (ABC), we dated the origins of these genetic patterns to periods of intensive mining activity. The historical split of contemporary metal-impacted populations from clean-river fish dated to the Medieval period. Moreover, we observed two distinct genetic populations of trout within a single catchment and dated their divergence to the Industrial Revolution. Our investigation thus provides an evaluation of contemporary population genetics in showing how human-altered landscapes can change the genetic makeup of a species. [ABSTRACT FROM AUTHOR]

Calcitonin gene-related peptide (CGRP) is a 37-amino acid neuropeptide. Discovered 30 years ago, it is produced as a consequence of alternative RNA processing of the calcitonin gene. CGRP has two major forms (α and β). It belongs to a group of peptides that all act on an unusual receptor family. These receptors consist of calcitonin receptor-like receptor (CLR) linked to an essential receptor activity modifying protein (RAMP) that is necessary for full functionality. CGRP is a highly potent vasodilator and, partly as a consequence, possesses protective mechanisms that are important for physiological and pathological conditions involving the cardiovascular system and wound healing. CGRP is primarily released from sensory nerves and thus is implicated in pain pathways. The proven ability of CGRP antagonists to alleviate migraine has been of most interest in terms of drug development, and knowledge to date concerning this potential therapeutic area is discussed. Other areas covered, where there is less information known on CGRP, include arthritis, skin conditions, diabetes, and obesity. It is concluded that CGRP is an important peptide in mammalian biology, but it is too early at present to know if new medicines for disease treatment will emerge from our knowledge concerning this molecule. [ABSTRACT FROM AUTHOR]

Abstract: The series of cobaltathiaboranes CpCoSB n H n (n =6, 7, 8, 9, 10) related to the experimentally known CpCoSB8H8 and CpCoSB10H10 have been investigated by density functional theory. The lowest energy CpCoSB n H n (n =6–10) structures are the closo deltahedra in accord with expectations for these 2n +2 Wadean skeletal electron systems. In the lowest energy such structures the sulfur atom is located at a lowest degree vertex and the cobalt atom at a highest degree vertex. An alternative bicapped octahedral CpCoSB6H6 structure having the sulfur atom at a degree 3 capping vertex lies only ∼7kcal/mol above the bisdisphenoid global minimum. For the 12-vertex CpCoSB10H10 system the three possible structures based on a B10CoS regular icosahedron lie more than 50kcal/mol in energy below any non-icosahedral structures. The relative energy ordering of ortho

The experimental structures of Cp4M4B4H4 (M = Co, Ni) are both bisdisphenoids. However, in the cobalt compound, the metal atoms are located at the four degree 5 vertices, whereas in the nickel compound the metal atoms are located at the four degree 4 vertices. Density functional theory has shown these structures to be the lowest-energy structures by the substantial margins of around 23 and 15 kcal/mol for M = Co and Ni, respectively. The unknown analogous tetraferraborane Cp4Fe4B4H4 was predicted to have a different type of structure, namely a tetracapped tetrahedron, with the iron atoms at the four degree 6 vertices, similarly to the experimental structure of the valence isoelectronic Cp4Fe4(μ3-CO)4. The experimentally unknown Cp4M4B2H2 and Cp4M4 systems have also been optimized. Addition of BH units to either Cp4M4B2H2 or Cp4M4 to give the corresponding Cp4M4B4H4 derivatives has been predicted to be extremely exothermic. [ABSTRACT FROM AUTHOR]