Conformational study of valinomycin: a molecular dynamics approach

Valinomycin is a highly flexible cyclic dodecadepsipeptide that transports ions across membranes. Such a flexibility in the conformation is required for its biological function since it has to encounter a variety of environments and liganding state. Exploration of conformational space of this molecule is therefore important and is one of the objectives of the present study that has been carried out by means of high temperature Molecular Dynamics. Further, the stability of the known bracelet-like structure of the uncomplexed valinomycin and the inherent flexibility around this structure has been investigated. The uncomplexed form of valinomycin has been simulated at 75–100 K for 1 ns in order to elucidate the average conformational properties. An alanine-analog of valinomycin has been simulated under identical conditions in order to evaluate the effect of sidechain on the conformational properties, The studies confirm the effect of sidechain on conformational equilibrium.

A new open-framework zinc arsenate [C4N3H16](2)[Zn-5(AsO4)(4)(HAsO4)(2)]

A three-dimensional zinc arsenate with an interrupted zeolitic framework (-IIO), [C4N3H16](2)[Zn-5(AsO4)(4)(HAsO4)(2)], I has been synthesized solvothermally. The structure is built up from ZnO4, AsO4 and HAsO4 tetrahedral units connected alternatively through their vertices forming the 3-D structure possessing one-dimensional channels bound by 10 T-atoms (T = Zn, As), The framework density of the structure is 10.4 T-atoms which indicates considerable openness in its structure. (C) 2009 Elsevier B.V. All rights reserved.

Women's health and a framework convention on global health

This paper considers the role for a Framework Convention on Global Health in addressing key challenges in women’s health at a global level. Part I analyses the conceptualization of health in terms of human rights and the linking of women’s rights and human rights. Part II seeks to identify pressing issues for women’s health, articulating 10 key challenges for women’s health. Part III considers the proposal for a Framework Convention on Global Health to meet global health needs. Finally, Part IV asks whether international law can provide a valuable platform to support recognition and achievement of women’s health rights and identifies key elements for supporting and promoting women’s health.

Seagram Building

[Book] The potential of electric light as a new building “material” was recognized in the 1920s and became a useful design tool by the mid-century. Skillful lighting allowed for theatricality, narrative, and a new emphasis on structure and space. The Structure of Light tells the story of the career of Richard Kelly, the field’s most influential figure. Six historians, architects, and practitioners explore Kelly’s unparalleled influence on modern architecture and his lighting designs for some of the 20th century’s most iconic buildings: Philip Johnson’s Glass House; Louis Kahn’s Kimbell Art Museum; Eero Saarinen’s GM Technical Center; and Mies van der Rohe’s Seagram Building, among many others. This beautifully illustrated history demonstrates the range of applications, building types, and artistic solutions he employed to achieve a “nocturnal modernity” that would render buildings evocatively different at night. The survival of Kelly’s rich correspondence and extensive diaries allows an in-depth look at the triumphs and uncertainties of a young profession in the making. The first book to focus on the contributions of a master in the field of architectural lighting, this fascinating volume celebrates the practice’s significance in modern design.

Propargyloxycarbonyl as a protecting group for the side chains of serine, threonine and tyrosine

Propargyloxycarbonyl group is used as a protecting group for the hydroxyl groups of serine, threonine and tyrosine. The propargyloxycarbonyl derivatives of these hydroxy amino acids are stable to acidic and basic reagents commonly employed in peptide synthesis. The deprotection of the O-Poc derivatives using tetrathiomolybdate does not affect commonly used protecting groups such as N-Boc, N-Cbz, N-Fmoc, methyl and benzyl esters. The di-and tripeptides synthesized using O-Poc derivatives of serine, threonine and tyrosine are stable, isolable compounds and give the hydroxy peptides in good yields when treated with tetrathiomolybdate.

A novel fibre-coated sorbent for rapid removal of heavy metals from wastewater. Sorption of Zinc(II) from dilute aqueous solutions in the presence of high concentrations of common salts

The commercial acrylic fibre "Cashmilon" was partially hydrolyzed to convert a fraction of its nitrile (-CN) groups to carboxylic acid (-COOH) groups and then coated with polyethylenimine (PEI) resin and cross-linked with glutaraldehyde to produce a novel gel-coated fibrous sorbent with multiple functionalities of cationic, anionic and chelating types, and significantly faster sorption kinetics than bead-form sorbents. The sorption properties of the fibrous sorbent were measured using Zn(II) in aqueous solution as the sorbate to determine the effects of pH and the presence of common ions in the solution on the sorption capacity. The rate of sorption on the gel-coated fibre was measured in comparison with that on Amberlite IRA-68 weak-base resin beads, to demonstrate the marked difference between fibre and bead-form sorbents in their kinetic behaviour.

A novel fibre-coated sorbent for rapid removal of heavy metals from wastewater. Sorption of Zinc(II) from dilute aqueous solutions in the presence of high concentrations of common salts

The commercial acrylic fibre "Cashmilon" was partially hydrolyzed to convert a fraction of its nitrile (-CN) groups to carboxylic acid (-COOH) groups and then coated with polyethylenimine (PEI) resin and cross-linked with glutaraldehyde to produce a novel gel-coated fibrous sorbent with multiple functionalities of cationic, anionic and chelating types, and significantly faster sorption kinetics than bead-form sorbents. The sorption properties of the fibrous sorbent were measured using Zn(II) in aqueous solution as the sorbate to determine the effects of pH and the presence of common ions in the solution on the sorption capacity. The rate of sorption on the gel-coated fibre was measured in comparison with that on Amberlite IRA-68 weak-base resin beads, to demonstrate the marked difference between fibre and bead-form sorbents in their kinetic behaviour.

Designing a blended learning model for primary school language learning

In Finland, there is a desperate need for flexible, reliable and functional multi-e-learning settings for pupils aged 11-13. Southern Finland has several ongoing e-learning projects, but none that develop a multiple setting, with learning and teaching occurring between more than two schools. In 2006, internet connections were not broadband and data transfer was mainly audio data. Connections and technical problems occurred, which were an obstacle to multi-e-learning. Internet connections today enable web-based learning in major parts of
Lapland and by 2015, broadband will reach even the remotest villages up north. Therefore, it is important to research the possibilities of multi-e-learning and to build collaborative, learner-centred, versatile network models for primary school-aged pupils. The resulting model will facilitate distance learning to extend education to rural, sparsely populated areas, and it will give a model of using mobile devices in language portfolios. This will promote regional equality and prevent exclusion. Working with portfolios provides the opportunity to develop mobility from a pedagogical point of view. It is important to study the pros and cons of mobile devices in producing artefacts on portfolios in e-learning and language learning settings.
The current study represents a design-based research approach. The design research approach includes two important aspects concerning the current research: ‘a teacher as researcher’ aspect, which means there is the possibility to be strongly involved in developing processes and an obstacle-aspect, which means that problems while developing, are seen as a
promoter in evolving the designed model, as apposed to negative results.

Designing a blended learning model for primary school language learning

In Finland, there is a desperate need for flexible, reliable and functional multi-e-learning settings for pupils aged 11-13. Southern Finland has several ongoing e-learning projects, but none that develop a multiple setting, with learning and teaching occurring between more than two schools. In 2006, internet connections were not broadband and data transfer was mainly audio data. Connections and technical problems occurred, which were an obstacle to multi-e-learning. Internet connections today enable web-based learning in major parts of Lapland and by 2015, broadband will reach even the remotest villages up north. Therefore, it is important to research the possibilities of multi-e-learning and to build collaborative, learner-centred, versatile network models for primary school-aged pupils. The resulting model will facilitate distance learning to extend education to rural, sparsely populated areas, and it will give a model of using mobile devices in language portfolios. This will promote regional equality and prevent exclusion. Working with portfolios provides the opportunity to develop mobility from a pedagogical point of view. It is important to study the pros and cons of mobile devices in producing artefacts on portfolios in e-learning and language learning settings. The current study represents a design-based research approach. The design research approach includes two important aspects concerning the current research: ‘a teacher as researcher’ aspect, which means there is the possibility to be strongly involved in developing processes and an obstacle-aspect, which means that problems while developing, are seen as a promoter in evolving the designed model, as apposed to negative results.

Microbially induced separation of quartz from hematite using sulfate reducing bacteria

Cells and metabolic products of Desulfovibrio desulfuricans were successfully used to separate quartz from hematite through environmentally benign microbially induced flotation. Bacterial metabolic products such as extracellular proteins and polysaccharides were isolated from both unadapted and mineral-adapted bacterial metabolite and their basic characteristics were studied in order to get insight into the changes brought about on bioreagents during adaptation. Interaction between bacterial cells and metabolites with minerals like hematite and quartz brought about significant surface-chemical changes on both the minerals. Quartz was rendered more hydrophobic, while hematite became more hydrophilic after biotreatment.The predominance of bacterial polysaccharides on interacted hematite and of proteins on quartz was responsible for the above surface-chemical changes, as attested through adsorption studies. Surface-chemical changes were also observed on bacterial cells after adaptation to the above minerals. Selective separation of quartz from hematite was achieved through interaction with quartz-adapted bacterial cells and metabolite. Mineral-specific proteins secreted by quartz-adapted cells were responsible for conferment of hydrophobicity on quartz resulting in enhanced separation from hematite through flotation. (C) 2010 Elsevier B.V. All rights reserved.

Kde je jádro pudla? Missä on villakoiran ydin? : Eläinten nimistä johdetut fraasit, idiomit ja muut sanonnat tšekin ja suomen kielessä

Pro gradu -työssä tarkastelen tšekin ja suomen kielessä esiintyviä eläinten nimityksistä johdettuja fraseologisia ilmauksia ja sanontoja. Eläinfraseologia muodostaa kielessä keskeisen osan, jolle ovat tyypillisiä voimakas tunnelataus, rajoittunut, sovinnainen käyttö ja puhekielenomaisuus. Tarkastelen eläinilmauksia morfologisesti ja semanttis-leksikaalisesti, mutta muitakin piirteitä esiintyy. Vertailen kumpaakin kieltä ja selvitän kielten fraasien, idiomien ja muiden sanontojen yhtäläisyyksiä ja eroja. Sanonnat (ynnä johdokset ja sanaparit) jaan neljään eri ryhmään seuraavasti: 1. kummassakin kielessä olevat samanlaiset ilmaukset, 2. kummassakin kielessä olevat osittain samanlaiset ilmaukset, 3. tsekkiläiset ilmaukset ja 4. suomalaiset ilmaukset. Työni materiaali on peräisin tsekkiläisistä, suomalaisista ja muunkielisistä sanakirjoista (lähinnä fraseologisista). Selvittelen erityisesti keskeisimpien kotieläinten nimistä (koira, kissa, hevonen, lehmä, lammas, sika, kana), joidenkin muiden eläinten nimistä (karhu, susi, karppi, käärme) ja joidenkin ulkomaisten eläinten nimistä (leijona, elefantti, apina) johdettuja fraseologisia ilmauksia. Materiaali käsittää yhteensä 145 eri eläintä, 163 eläimen nimitystä ja 585 eläinilmausta. Aineistoni pohjalta voi todeta, että tšekin ja suomen kielessä on yllättävän paljon samantyyppisiä eläinilmauksia, vaikka kielet poikkeavat huomattavasti toisistaan. Korpuksessani olevista ilmauksista on täysin symmetrisiä 119/20,3 %, osittain samanlaisia (epäsymmetrisiä) 127/21,7 %, pelkästään tsekkiläisiä 161/27,5 % ja pelkästään suomalaisia 146/25,0 %. Sanaparit ja sananlaskut, joita käsittelin erillisenä ryhmänä (32 kpl) muodostivat aineistosta 5,5 % (niistäkin löytyi yhtäläisyyksiä). Yleisimmin esiintyvät eläimet ovat koira ja kissa. Koira on kuitenkin tšekin fraseologiassa yleisempi eläin kuin suomessa, jossa taas kissa on yleisimmin esiintyvä eläimen nimi. Yleisiä ovat myös mm. hevonen, sika, lintu, kala ja kana. Karitsa, hanhi ja vuohi esiintyvät paljon useammin tšekin fraseologiassa, suomessa esiintyy taas usein sika silloin, kun tšekissä on porsas. Joillakin eläinten nimillä on selvästi negatiivisempi tunnelataus (susi, käärme) kuin toisilla (koira, kissa). Toisin kuin suomessa, kissa on tšekissä valheellinen, vuohi herkuttelee, pöllö ja apina edustavat viisautta ja oppivaisuutta ja kovakuoriainen hellyttää. Yhteisiä eläinten nimityksiä kummassakin kielessä on aineistossani 106/163 (65,03 %). Tšekin fraseologiassa on lähes kaksi kertaa enemmän (37/163 = 22,7 %) sellaisia eläinten nimiä, joita ei esiinny suomen fraseologiassa verrattuna pelkästään suomen fraseologiassa esiintyviin eläinten nimiin (20/163 = 12,27 %). Pelkästään tšekissä esiintyviä eläimiä ovat mm. lumikko, majava, murmeli, mäyrä, näätä ja riikinkukko; pelkästään suomen fraseologiassa esiintyvät puolestaan mm. kiiski, muikku, peippo, poro, sopuli ja telkkä. Vertauskuvat ovat kummassakin kielessä erittäin tyypillisiä. Eläinten nimet viittaavat useimmiten ihmisen kielteisiin luonteenpiirteisiin tai ominaisuuksiin (mazaný jako liška ja viekas kuin kettu). Aineistoni pohjalta vaikuttaa siltä, että tšekissä on enemmän vaihtoehtoisia ja eri eläinten lajeista muodostettuja ilmauksia (mm. lintu- ja kalalajeista). Kummassakin kielessä on myös huudahduslauseita (Ty jsi ale liška pod itá! ja Senkin vanha kettu!), kansainvälisiä ilmauksia (jádro pudla ja villakoiran ydin) ja ns. petollisia ystäviä toisiaan erehdyttävästi muistuttavia, mutta eri asiaa merkitseviä sanontoja (tsekin kočičí život kissanelämä tarkoittaa ´sitkeähenkisyyttä´ − ei suomen kissanpäiviä). Kansallisista erityispiirteistä ovat esimerkkeinä mm. tšekin ilmaus mít se jako husa o Martině "voida kuin hanhi Martinpäivänä" (suomeksi ´voida kurjasti´; viittaus Martinpäivän hanhensyömisperinteeseen) tai suomen ilmaukset kuin hyttysen liraus Itämereen ja sopulilauma.

Free convection heat transfer from vertical cylinders part II: Exponential surface temperature variation

Investigation on laminar free convection heat transfer from vertical cylinders and wires having a surface temperature variation of the form TW - T∞ = M emx are presented. As in Part I for power law surface temperature variation, the axisymmetric boundary layer equations of mass, momentum and energy are transformed to more convenient forms and solved numerically. The second approximation refines the results of the first upto a maximum of only 2%. Analysis of the results indicates that cylinders can be classified into the same three categories as in Part I, namely, short cylinders, long cylinders, and wires, heat transfer and fluid flow correlations being developed for each case.

Raman spectra of crystalline double sulphates

Raman spectra of single crystals of K2M(SO4)2 · 6 H2O where M=Mg, Zn, Ni or Co have been recorded for the first time using λ 2537 as the exciting radiation. The corresponding five single sulphates have also been studied. Interesting results concerning the substitution of magnesium, zinc, nickel or cobalt in the double sulphate lattice on the sulphate frequencies are observed. The lattice spectra of these double sulphates are analysed group theoretically and discussed in relation to the lattice spectra of the corresponding individual sulphates. Certain new results concerning the Raman spectra of the individual sulphates have also been obtained and in the case of CoSO4 · 7 H2O the spectrum has been recorded for the first time.

Raman spectrum of strontium titanate

The Raman spectrum of strontium titanate has been recorded using λ 4358 of mercury as exciter. The observed spectrum consists of 7 Raman lines, one of which is of low frequency, as expected from the recent theory of Cochran. 6 of these Raman lines have been interpreted as the first order spectrum arising from a small deviation of the cubic strontium titanate from its idealized symmetry. It has been shown that one normal mode of SrTiO3 neglected by J.T. Last, will be really active in infrared absorption in the region of 440 cm-1 and that it has to be taken into account in the interpretation of the infrared spectra of titanates. The four vibrational modes of the unit cell of SrTiO3 correspond to frequencies of 90, 335, 441 and 620 cm-1 observed in Raman effect. The large width of the Raman lines and the additional lines at 256 cm-1 and 726 cm-1 have been attributed to a splitting of the longitudinal and transverse optical modes. With the observed frequencies it has been found possible to account for in a satisfactory manner the specific heat of SrTiO3 in the range 54·84° K to 1800° K.

Synthetic investigation on the building of ring A of steroids

Methyl 7-keto-1,2,3,4,4a,5,6,7-octahydronaphthoate (Va) has been prepared by the reduction of 7-methoxy-1,2,3,4-tetrahydronaphthoic acid (III) with lithium and ammonia followed by hydrolysis of the enol ether, esterification and migration of the double bond. Alkylation of Va has led to the substitution at the expected 8-position. Methyl 4-keto-7-methoxy-1,2,3,4-tetrahydronaphthoate (X), an intermediate in the preparation of III, has been converted into methyl 3-methyl-3-cyano-4-keto-7-methoxy-1,2,3,4-tetrahydronaphthoate (XIII).