A revision of the genus Astatoreochromis (Teleostei, Cichlidae), East-Africa

A taxonomic revision of the cichlid genus Astatoreochromis is presented. Eighteen meristic and 23 morphometric measurements were taken on 185 individuals, including type specimens. While fin counts separate populations from the Lake Victoria region (Astatoreochromis alluaudi) from those of the Rusizi and Malagarazi rivers in the Lake Tanganyika basin (A. vanderhorsti and A. straeleni respectively), clear differentiation was not detected between the latter two. Mann-Whitney U-tests on specimens of comparable size from the two Tanganyika populations revealed significant differences in specimens 75 mm SL and Astatoreochromis vanderhorsti is herein considered a junior synonym of A. straeleni. A redescription of the two valid species of Astatoreochromis, A. alluaudi and A.straeleni, is provided

Exploring angular distance in protein-protein docking algorithms

We present a two-stage hybrid-resolution approach for rigid-body protein-protein docking. The first stage is carried out at low-resolution (15 degrees ) angular sampling. In the second stage, we sample promising regions from the first stage at a higher resolution of 6 degrees . The hybrid-resolution approach produces the same results as a 6 degrees uniform sampling docking run, but uses only 17% of the computational time. We also show that the angular distance can be used successfully in clustering and pruning algorithms, as well as the characterization of energy funnels. Traditionally the root-mean-square-distance is used in these algorithms, but the evaluation is computationally expensive as it depends on both the rotational and translational parameters of the docking solutions. In contrast, the angular distances only depend on the rotational parameters, which are generally fixed for all docking runs. Hence the angular distances can be pre-computed, and do not add computational time to the post-processing of rigid-body docking results

Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: Benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree–Fock

Equation of motion coupled-cluster singles and doubles (EOM-CCSD) is one of the most accurate computational methods for the description of one-electron vertical transitions. However, its O(N6) scaling, where N is the number of basis functions, often makes the study of molecules larger than 10–15 heavy atoms prohibitive. In this work we investigate how accurately less expensive methods can approximate the EOM-CCSD results. We focus on our own N-layer integrated molecular orbital molecular mechanics (ONIOM) hybrid scheme, where the system is partitioned into regions which are treated with different levels of theory. For our set of benchmark calculations, the comparison of conventional configuration interaction singles (CIS), time-dependent Hartree–Fock (TDHF), and time-dependent density functional theory (TDDFT) methods and ONIOM (with different low level methods) showed that the best accuracy-computational time combination is obtained with ONIOM(EOM:TDDFT), which has a rms of the error with respect to the conventional EOM-CCSD of 0.06 eV, compared with 0.47 eV of the conventional TDDFT

In Search of the Locus Coeruleus: Guidelines for Identifying Anatomical Boundaries and Electrophysiological Properties of the Blue Spot in Mice, Fish, Finches, and Beyond

Our understanding of human brain function can be greatly aided by studying analogous brain structures in other organisms. One brain structure with neurochemical and anatomical homology throughout vertebrate species is the locus coeruleus (LC), a small collection of norepinephrine (NE)-containing neurons in the brainstem that project throughout the central nervous system. The LC is involved in nearly every aspect of brain function, including arousal and learning, which has been extensively examined in rats and nonhuman primates using single-unit recordings. Recent work has expanded into putative LC single-unit electrophysiological recordings in a nonmodel species, the zebra finch. Given the importance of correctly identifying analogous structures as research efforts expand to other vertebrates, we suggest adoption of consensus anatomical and electrophysiological guidelines for identifying LC neurons across species when evaluating brainstem single-unit spiking or calcium imaging. Such consensus criteria will allow for confident cross-species understanding of the roles of the LC in brain function and behavior

Six new species of Cichlidogyrus Paperna, 1960 (Platyhelminthes: Monogenea) from the gills of cichlids (Teleostei: Cichliformes) from the Lomami River Basin (DRC: Middle Congo)

Background Monogenea van Beneden, 1858 is a group of parasitic flatworms, commonly found infecting bony fish. Several genera, such as Cichlidogyrus Paperna, 1960, are reported to include potential pathogenic species that can negatively impact aquaculture fish stocks. They can switch from introduced to native fish and vice versa. In Africa (and all over the world), fish species belonging to Cichlidae are often kept in aquaculture and represent a major source of food. Thus, research on the biodiversity and occurrence of monogenean species on these fish is of importance for aquaculture and conservation. The present study is a survey of the diversity of species of Cichlidogyrus in the south of the Democratic Republic of the Congo (DRC) on three cichlid species: Orthochromis sp. 'Lomami', Serranochromis cf. macrocephalus, and Tilapia sparrmanii Smith, 1840. Methods Specimens of Cichlidogyrus were isolated from the gills and mounted on glass slides with Hoyer's medium. The genital and haptoral hard parts were measured and drawn using interference contrast. Results In total, six species of Cichlidogyrus were found, all new to science: C. bulbophallus n. sp. and C. pseudozambezensis n. sp. on S. cf. macrocephalus, C. flagellum n. sp. and C. lobus n. sp. on T. sparrmanii, C. ranula n. sp. on S. cf. macrocephalus and Orthochromis sp. 'Lomami', and C. maeander n. sp. found on Orthochromis sp. 'Lomami' and T. sparrmanii. The first four species are considered to be strict specialists, C. ranula n. sp. an intermediate generalist and C. maeander n. sp. a generalist. These parasite species show morphological similarities to species found in the Lower Guinea and Zambezi ichthyofaunal provinces, which might be explained by past river capture events between river systems of the Congo Province and both these regions. Conclusions Serranochromis cf. macrocephalus and Orthochromis sp. 'Lomami' can harbour respectively three and two species of Cichlidogyrus, all described in this study. Tilapia sparrmanii can harbour seven species, of which three are described in the present study. These results highlight the species diversity of this parasite genus in the Congo Basin.Peer reviewe

The HP1 Homolog Rhino Anchors a Nuclear Complex that Suppresses piRNA Precursor Splicing

SummarypiRNAs guide an adaptive genome defense system that silences transposons during germline development. The Drosophila HP1 homolog Rhino is required for germline piRNA production. We show that Rhino binds specifically to the heterochromatic clusters that produce piRNA precursors, and that binding directly correlates with piRNA production. Rhino colocalizes to germline nuclear foci with Rai1/DXO-related protein Cuff and the DEAD box protein UAP56, which are also required for germline piRNA production. RNA sequencing indicates that most cluster transcripts are not spliced and that rhino, cuff, and uap56 mutations increase expression of spliced cluster transcripts over 100-fold. LacI::Rhino fusion protein binding suppresses splicing of a reporter transgene and is sufficient to trigger piRNA production from a trans combination of sense and antisense reporters. We therefore propose that Rhino anchors a nuclear complex that suppresses cluster transcript splicing and speculate that stalled splicing differentiates piRNA precursors from mRNAs

Multiple independent colonizations into the Congo Basin during the continental radiation of African Mastacembelus spiny eels

AIM: There has been recent interest in the origin and assembly of continental biotas based on densely sampled species-level clades, however, studies from African freshwaters are few so that the commonality of macroevolutionary patterns and processes among continental clades remain to be tested. Within the Afrotropics, the Congo Basin contains the highest diversity of riverine fishes, yet it is unclear how this fauna was assembled. To address this, and the diversification dynamics of a continental radiation, we focus on African Mastacembelus spiny eels. LOCATION: Afrotropical freshwaters. METHODS: The most complete molecular phylogeny to date was reconstructed for African spiny eels. Divergence times were estimated applying a Bayesian relaxed clock comparing fossil and geological calibrations across nuclear and mitochondrial trees. Biogeographic reconstructions, applying a dispersal–extinction–cladogenesis model and lineage diversification dynamics were examined. RESULTS: Spiny eels originated in Asia and colonized Africa c. 15.4 Ma (95% HPD: 23.9–8.8 Ma) from which their subsequent radiation across the Afrotropics was best fitted by a constant rate model. Ancestral state estimation identified multiple colonization events into the Congo Basin, whereas all other regions were likely to have been colonized once indicating considerable geographic constraints. Application of the fossil calibration gave similar age estimates across datasets, whereas a geological calibration estimated considerably older nuclear divergences. MAIN CONCLUSIONS: Despite profound environmental events during the evolutionary history of the group, there is no evidence for rapid lineage diversification. This finding supports several recent studies on tropical continental radiations that contrast to the common pattern of density-dependent diversification. We further show that dispersal has occurred into, as well as out of the Congo Basin, indicating the importance of this region in the generation of biodiversity

A QM/MM approach for the study of monolayer-protected gold clusters

We report the development and implementation of hybrid methods that combine quantum mechanics (QM) with molecular mechanics (MM) to theoretically characterize thiolated gold clusters. We use, as training systems, structures such as Au25(SCH2-R)18 and Au38(SCH2-R)24, which can be readily compared with recent crystallographic data. We envision that such an approach will lead to an accurate description of key structural and electronic signatures at a fraction of the cost of a full quantum chemical treatment. As an example, we demonstrate that calculations of the 1H and 13C NMR shielding constants with our proposed QM/MM model maintain the qualitative features of a full DFT calculation, with an order-of-magnitude increase in computational efficiency.Comment: Journal of Materials Science, 201