Structure and conformation of an anti-depressant drug, nitroxazepine hydrochloride monohydrate

CIsH20N3Oa+.C1-.H2 O, M r = 395, orthorhombic, Pn21a, a = 7.710 (4), b = 11.455 (3), c -- 21.199 (3)/k, Z = 4, V = 1872.4/k 3, D m = 1.38, D C = 1.403 g cm -3, F(000) = 832, g(Cu Kct) = 20.94 cm -l. Intensities for 1641 reflections were measured on a Nonius CAD-4 diffractometer; of these, 1470 were significant. The structure was solved by direct methods and refined to an R index of 0.045 using a blockdiagonal least-squares procedure. The angle between the least-squares planes through the benzene rings is 125.0 (5) ° and the side chain is folded similarly to one of the independent molecules of imipramine hydrochloride.

Population genetics of Australian white sharks reveals fine-scale spatial structure, transoceanic dispersal events and low effective population sizes

Despite international protection of white sharks Carcharodon carcharias, important conservation parameters such as abundance, population structure and genetic diversity are largely unknown. The tissue of 97 predominately juvenile white sharks sampled from spatially distant eastern and southwestern Australian coastlines was sequenced for the mitochondrial DNA (mtDNA) control region and genotyped with 6 nuclear-encoded microsatellite loci. MtDNA population structure was found between the eastern and southwestern coasts (F-ST = 0.142, p < 0.0001), implying female reproductive philopatry. This concurs with recent satellite and acoustic tracking findings which suggest the sustained presence of discrete east coast nursery areas. Furthermore, population subdivision was found between the same regions with biparentally inherited micro satellite markers (F-ST = 0.009, p < 0.05), suggesting that males may also exhibit some degree of reproductive philopatry; 5 sharks captured along the east coast had mtDNA haplotypes that resembled western Indian Ocean sharks more closely than Australian/New Zealand sharks, suggesting that transoceanic dispersal, or migration resulting in breeding, may occur sporadically. Our most robust estimate of contemporary genetic effective population size was low and close to thresholds at which adaptive potential may be lost. For a variety of reasons, these contemporary estimates were at least 1, possibly 2, orders of magnitude below our historical effective size estimates. Population decline could expose these genetically isolated populations to detrimental genetic effects. Regional Australian white shark conservation management units should be implemented until genetic population structure, size and diversity can be investigated in more detail.

Native Phloem and Wood Borers in Australian Mediterranean Forest Trees

Native Mediterranean forests in Australia are dominated by two tree genera, Eucalyptus and Acacia, while Pinus and Eucalyptus dominate plantation forestry. In native forests, there is a high diversity of phloem and wood borers across several families in the Coleoptera and Lepidoptera. In the Coleoptera, cerambycid beetles (Cerambycidae), jewel beetles (Buprestidae), bark, ambrosia and pinhole beetles (Curculionidae) and pinworms (Lymexelidae) are some of the most commonly found beetles attacking eucalypts and acacias. In the Lepidoptera, wood moths (Cossidae), ghost moths (Hepialidae) and borers in the Xyloryctidae (subfamily Xyloryctinae) are most common. In contrast to native forests, there is a much more limited range of native insects present in Australian plantations, particularly in exotic Pinus spp. plantations, although eucalypt plantations do share some borers in common with native forests. This chapter reviews the importance of these borers in Australian forests primarily from an economic perspective (i.e. those species that cause damage to commercial tree species) and highlights a paucity of native forest species that commonly kill trees relative to the large scales regularly seen in North America and Europe.

Oppilaan oma uskonto perusopetuksen uskonnon opetussuunnitelman perusteissa

Vuonna 2003 voimaan tulleen uuden uskonnonvapauslain muutosprosessin yhteydessä tehtiin muutoksia myös uskonnonopetusta määrittäviin lakeihin. Aikaisemmin uskonnonopetusta kuvannut termi ” oppilaan tunnustuksen mukainen” korvattiin käsitteellä ”oppilaan oman uskonnon opetus” (Lukiolaki 455/2003, Perusopetuslaki 454/2003). Tässä tutkimuksessa tarkasteltiin oppilaan omaa uskontoa perusopetuksen uskonnon opetussuunnitelmissa. Analyysi kohdistui kaikille uskontokuntasidonnaisille ryhmille yhteiseen opetussuunnitelman osaan sekä evanekelisluterilaisen, ortodoksisen, islamin ja Myöhempien Aikojen Jeesuksen Kristuksen kirkon uskonnon opetussuunnitelman perusteisiin. Tutkimus toteutettiin sisällön analyysin keinoin. -- Ensimmäisessä tutkimuskysymyksessä keskityttiin siihen, miten oma uskonto näyttäytyy opetussuunnitelman kaikille uskontosidonnaisille ryhmille yhteisessä osassa. Oppilaan oma uskonto ei siinä ole opetuksen päämäärää tai lähtökohtia määrittävässä asemassa. Omaan uskontoon tutustuminen määritetään yhdeksi opetuksen tavoitteista, jota ei kuitenkaan korosteta muihin tavoitteisiin nähden. Muita tavoitteita on esimerkiksi tutustuminen muihin uskontoihin ja uskonnon ymmärtäminen kulttuurisen ilmiön tasolla. Toisessa tutkimuskysymyksessä tarkasteltiin oppilaan oman uskonnon ilmenemistä uskontokohtaisissa opetussuunnitelmissa. Opetussuunnitelmia vertailtaessa huomattiin merkittäviä eroja siinä, millaisessa asemassa oma uskonto on opetussuunnitelman kokonaisuudessa. Vähemmistöuskontojen opetussuunnitelmissa oppilaan omaan uskontoon tutustuminen ilmenee opetuksen päämääränä. Evankelisluterilaisen uskonnon opetussuunnitelmassa sillä on välineellinen arvo pyrittäessä ymmärtämään uskontoa kulttuurisena ilmiönä. Oman uskonnon ilmenemistä opetussuunnitelmissa voi tutkimuksen perusteella hahmottaa juridisesta, kulttuurisesta ja identiteetin näkökulmasta. Merkittävimmät erot löytyivät identiteetin näkökulmasta hahmotetusta oppilaan omasta uskonnosta. Toisissa opetussuunnitelmissa oppilaan uskonnollinen identiteetti määritetään oppilaan juridisen oman uskonnon pohjalta. Toisissa suunnitelmissa oppilaan uskonnollista identiteettiä lähestytään individualisoituneen uskonnollisuuden näkökulmasta ja oppilaan henkilökohtainen uskonnollinen identiteetti jätetään oppilaan oman määrittämisen varaan. Kolmannessa tutkimuskysymyksessä keskityttiin siihen, minkä eri ulottuvuuksien kautta omaa uskontoa opetuksessa käsitellään. Aineistosta hahmotettiin viisi ulottuvuutta: instituution, rituaalinen, opillinen, narratiivinen ja eettinen ulottuvuus. Ulottuvuuksien painotuksiin eri uskontojen opetussuunnitelmissa voi nähdä vaikuttavan esimerkiksi uskonnon asema Suomessa ja uskonnon itseymmärrys uskonnon keskeisistä piirteistä sekä se, kuinka tiiviisti koulun uskonnonopetus on yhteydessä uskonnolliseen yhdyskuntaan. -- Tutkimus lisää tietoa uskonnon opetussuunnitelmien perusteista ja eri uskontojen suunnitelmien välisistä eroista. Tutkimuksen perusteella voidaan huomata, että eri opetussuunnitelmissa omalla uskonnolla on hyvin erilainen asema opetuksen lähtökohtia ja sisältöä määritettäessä. Toisissa opetussuunnitelmissa omaan uskontoon tutustuminen näyttäytyy opetuksen päämääränä ja lähtökohtana, mutta toisissa opetussuunnitelmissa opetuksen lähtökohdat kumpuavat uskontotieteellisestä ja individualisoituneen uskonnollisuuden viitekehyksestä. Näin ollen kouluissa annettavaa uskonnonopetusta ei voi pitää luonteeltaan yhdenmukaisena. Myös opetuksen kuvaaminen luonteeltaa ”oppilaan oman uskonnon opetuksena” näyttäytyy ristiriitaisena eri uskontojen opetussuunnitelmien valossa.

Application of molecular orbital theory to the interpretation of x-ray absorption spectra of platinum complexes

X-ray LIII-absorption edges of platinum in nine octahedral complexes have been recorded using a bent crystal spectrograph. The edge features of the discontinuities have been interpreted with the help of qualitative molecular orbital diagrams. A correlation between the energy separation of the first two absorption maxima and the spectrochemical series of the ligands has been arrived at.

Collaboration on social network sites: Amateurs, professionals and celebrities

Amateurs are found in arts, sports, or entertainment, where they are linked with professional counterparts and inspired by celebrities. Despite the growing number of CSCW studies in amateur and professional domains, little is known about how technologies facilitate collaboration between these groups. Drawing from a 1.5-year field study in the domain of bodybuilding, this paper describes the collaboration between and within amateurs, professionals, and celebrities on social network sites. Social network sites help individuals to improve their performance in competitions, extend their support network, and gain recognition for their achievements. The findings show that amateurs benefit the most from online collaboration, whereas collaboration shifts from social network sites to offline settings as individuals develop further in their professional careers. This shift from online to offline settings constitutes a novel finding, which extends previous work on social network sites that has looked at groups of amateurs and professionals in isolation. As a contribution to practice, we highlight design factors that address this shift to offline settings and foster collaboration between and within groups.

The structure of glycosaminoglycans and their interactions with proteins

Glycosaminoglycans (GAGs) are important complex carbohydrates that participate in many biological processes through the regulation of their various protein partners. Biochemical, structural biology and molecular modelling approaches have assisted in understanding the molecular basis of such interactions, creating an opportunity to capitalize on the large structural diversity of GAGs in the discovery of new drugs. The complexity of GAG–protein interactions is in part due to the conformational flexibility and underlying sulphation patterns of GAGs, the role of metal ions and the effect of pH on the affinity of binding. Current understanding of the structure of GAGs and their interactions with proteins is here reviewed: the basic structures and functions of GAGs and their proteoglycans, their clinical significance, the three-dimensional features of GAGs, their interactions with proteins and the molecular modelling of heparin binding sites and GAG–protein interactions. This review focuses on some key aspects of GAG structure–function relationships using classical examples that illustrate the specificity of GAG–protein interactions, such as growth factors, anti-thrombin, cytokines and cell adhesion molecules. New approaches to the development of GAG mimetics as possible new glycotherapeutics are also briefly covered.

Ultrastructural features of the early secretory pathway in Trichoderma reesei

We have systematically analysed the ultra structure of the early secretory pathway in the Trichoderma reesei hyphae in the wild-type QM6a, cellulase overexpressing Rut-C30 strain and a Rut-C30 transformant BV47 overexpressing a recombinant BiP1-VenusYFP fusion protein with an endoplasmic reticulum (ER) retention signal. The hyphae were studied after 24h of growth using transmission electron microscopy, confocal microscopy and quantitative stereological techniques. All three strains exhibited different spatial organisation of the ER at 24h in both a cellulase-inducing medium and a minimal medium containing glycerol as a carbon source (non-cellulase-inducing medium). The wild-type displayed a number of ER subdomains including parallel tubular/cisternal ER, ER whorls, ER-isolation membrane complexes with abundant autophagy vacuoles and dense bodies. Rut-C30 and its transformant BV47 overexpressing the BiP1-VenusYFP fusion protein also contained parallel tubular/cisternal ER, but no ER whorls; also, there were very few autophagy vacuoles and an increasing amount of punctate bodies where particularly the recombinant BiP1-VenusYFPfusion protein was localised. The early presence of distinct strain-specific features such as the dominance of ER whorls in the wild type and tub/cis ER in Rut-C30 suggests that these are inherent traits and not solely a result of cellular response mechanisms by the high secreting mutant to protein overload.

Functional characterization of lysophosphatidic acid phosphatase from Arabidopsis thaliana

Lysophosphatidic acid (LPA) acts as a signaling molecule that regulates diverse cellular processes and it can rapidly be metabolized by phosphatase and acyltransferase LPA phosphatase gene has not been identified and characterized in plants so far The BLAST search revealed that the At3g03520 is similar to phospholipase family. and distantly related to bacterial phosphatases The conserved motif. (J)4XXXNXSFD, was identified in both At3g03520 like phospholipases and acid phosphatases In silico expression analysis of At3g03520 revealed a high expression during phosphate starvation and abiotic stresses. This gene was overexpressed in Escherichia coli and shown to posses LPA specific phosphatase activity These results Suggest that this gene possibly plays a role in signal transduction and storage lipid synthesis.

Host factor Ebp1 inhibits rinderpest virus transcription in vivo

ErbB3 binding protein Ebp1 has been shown to downregulate ErbB3 receptor-mediated signaling to inhibit cell proliferation. Rinderpest virus belongs to the family Paramyxoviridae and is characterized by the presence of a non-segmented negative-sense RNA genome. In this work, we show that rinderpest virus infection of Vero cells leads to the down-regulation of the host factor Ebp1, at both the mRNA and protein levels. Ebp1 protein has been shown to co-localize with viral inclusion bodies in infected cells, and it is packaged into virions, presumably through its interaction with the N protein or the N-RNA itself. Overexpression of Ebp1 inhibits viral transcription and multiplication in infected cells, suggesting that a mutual antagonism operates between host factor Ebp1 and the virus.

Evaluating Option Pricing Models

This study evaluates three different time units in option pricing: trading time, calendar time and continuous time using discrete approximations (CTDA). The CTDA-time model partitions the trading day into 30-minute intervals, where each interval is given a weight corresponding to the historical volatility in the respective interval. Furthermore, the non-trading volatility, both overnight and weekend volatility, is included in the first interval of the trading day in the CTDA model. The three models are tested on market prices. The results indicate that the trading-time model gives the best fit to market prices in line with the results of previous studies, but contrary to expectations under non-arbitrage option pricing. Under non-arbitrage pricing, the option premium should reflect the cost of hedging the expected volatility during the option’s remaining life. The study concludes that the historical patterns in volatility are not fully accounted for by the market, rather the market prices options closer to trading time.

A unified model for auxiliary switch commutated DC-DC converters

A novel ZVS auxiliary switch commutated variation for all DGDC converter topologies has been proposed in 2006. With proper designation of the circuit variables (throw current I and the pole voltage V), all these converters are seen to be governed by an identical set of equations. With idealized switches, the steady-state performance is obtainable in an analytical form. The conversion ratio of the converter topologies is obtained. A generalized equivalent circuit emerges for all these converters from the steady-state conversion ratio. It also provides a dynamic model as well. With these generalized steady-state equivalent circuits, small signal analysis of these converters may be carried out readily. It enables one to use the familiar state space averaged results of the standard PWM DGDC converters for the resonant counterparts. Th dc and ac models reveals that dc and low frequency behaviour of the proposed family of converters is similiar to that of its PWM parent

Protein sequence design on the basis of topology optimization techniques -Using continuous modeling of discrete amino acid types

The notion of optimization is inherent in protein design. A long linear chain of twenty types of amino acid residues are known to fold to a 3-D conformation that minimizes the combined inter-residue energy interactions. There are two distinct protein design problems, viz. predicting the folded structure from a given sequence of amino acid monomers (folding problem) and determining a sequence for a given folded structure (inverse folding problem). These two problems have much similarity to engineering structural analysis and structural optimization problems respectively. In the folding problem, a protein chain with a given sequence folds to a conformation, called a native state, which has a unique global minimum energy value when compared to all other unfolded conformations. This involves a search in the conformation space. This is somewhat akin to the principle of minimum potential energy that determines the deformed static equilibrium configuration of an elastic structure of given topology, shape, and size that is subjected to certain boundary conditions. In the inverse-folding problem, one has to design a sequence with some objectives (having a specific feature of the folded structure, docking with another protein, etc.) and constraints (sequence being fixed in some portion, a particular composition of amino acid types, etc.) while obtaining a sequence that would fold to the desired conformation satisfying the criteria of folding. This requires a search in the sequence space. This is similar to structural optimization in the design-variable space wherein a certain feature of structural response is optimized subject to some constraints while satisfying the governing static or dynamic equilibrium equations. Based on this similarity, in this work we apply the topology optimization methods to protein design, discuss modeling issues and present some initial results.