Adsorption isotherms-Microscopic modelling: Part II

A lattice formahsm using "spin variables" is employed to analyse multi-state models for the adsorption of neutral dipoles.In particular, a spin-1/2 (two-state) model incorporating permanent and reduced dipole moments of the solvent and the organic adsorbate,substrate interactions, and &screteness of charge effects is analysed The resulting Generalized Islng Hamaltonian is solved under mean field approximation (MFA) in order to derive the adsorption isotherm for organic molecules A few spin-1 (three-state) models are also analysed under MFA to describe the competitive adsorption of multi-state solvent and organic dipoles, and the appropriate equilibrium relations are derived The unification and isomorphism existing at the Hamlltonlan level for several diverse realizations, such as adsorption of ions and solvent/orgamc molecules, is indicated The possibility of analysing phase transitions using this generalized approach is briefly indicated.

A Bayesian decision approach for sample size determination in phase II trials

Stallard (1998, Biometrics 54, 279-294) recently used Bayesian decision theory for sample-size determination in phase II trials. His design maximizes the expected financial gains in the development of a new treatment. However, it results in a very high probability (0.65) of recommending an ineffective treatment for phase III testing. On the other hand, the expected gain using his design is more than 10 times that of a design that tightly controls the false positive error (Thall and Simon, 1994, Biometrics 50, 337-349). Stallard's design maximizes the expected gain per phase II trial, but it does not maximize the rate of gain or total gain for a fixed length of time because the rate of gain depends on the proportion: of treatments forwarding to the phase III study. We suggest maximizing the rate of gain, and the resulting optimal one-stage design becomes twice as efficient as Stallard's one-stage design. Furthermore, the new design has a probability of only 0.12 of passing an ineffective treatment to phase III study.

Push-pull ethylenes: the structures of 3-(2-imidazolidinylidene)-2,4-pentanedione (I), C8H12N2O2, and 3-(1,3-dimethyl-2-imidazolidinylidene)-2,4-pentanedione trihydrate (II), C10H16N2O2.3H2O

(I): Mr= 168, triclinic, P1, Z=2, a= 5.596 (2), b = 6.938 (3), c = 10.852 (4) A, ~t= 75.64 (3), fl= 93.44 (3), ),= 95.47 (3) °, V= 406.0A 3, Din= 1.35 (by flotation using carbon tetrachloride and n-hexane), D x= 1.374 Mg m -3, g(Mo Kct, 2 = 0.7107 A) = 1.08 cm -l, _F(000) = 180, T= 293 K. (II): Mr= 250, triclinic, P1, Z= 2, a = 7.731(2), b=8.580(2), c=11.033(3)A, a= 97-66 (2), fl= 98.86 (2), y= 101.78 (2) °, V= 697.5 A 3, D m = 1.18 (by flotation using KI solution), Dx= 1.190Mgm -3, g(MoKa, 2=0.7107A)= 1.02 cm -1, F(000) = 272, T= 293 K. Both structures were solved by direct methods and refined to R = 4.4% for 901 reflexions for (I) and 5.7% for 2001 reflexions for (II). The C=C bond distances are 1.451 (3) A in (I) and 1.468 (3)A in (II), quite significantly longer than the C=C bond in ethylene [1.336 (2).~; Bartell, Roth, Hollowell, Kuchitsu & Young (1965). J. Chem. Phys. 42, 2683-2686]. The twist angle about the C=C bond in (II) is 72.9 (5) ° but molecule (I) is essentially planar, the twist angle being only 4.9 (5) ° .

Variable Size Population NSGA-II: VPNSGA-II

Multi-objective optimization is an active field of research with broad applicability in aeronautics. This report details a variant of the original NSGA-II software aimed to improve the performances of such a widely used Genetic Algorithm in finding the optimal Pareto-front of a Multi-Objective optimization problem for the use of UAV and aircraft design and optimsaiton. Original NSGA-II works on a population of predetermined constant size and its computational cost to evaluate one generation is O(mn^2 ), being m the number of objective functions and n the population size. The basic idea encouraging this work is that of reduce the computational cost of the NSGA-II algorithm by making it work on a population of variable size, in order to obtain better convergence towards the Pareto-front in less time. In this work some test functions will be tested with both original NSGA-II and VPNSGA-II algorithms; each test will be timed in order to get a measure of the computational cost of each trial and the results will be compared.

« Le roman est agréablement traduit » : Étude comparative sur la visibilité des traductions et des traducteurs en Finlande et en France à travers des critiques des livres

Pro gradu -työssä tutkitaan ja vertaillaan käännöskirjallisuuden arvosteluja Ranskassa ja Suomessa. Empiirinen aineisto koostuu kaikista Helsingin Sanomien ja Le Monden vuonna 2003 julkaisemista arvosteluista. Lehdissä oli yhteensä 2691 arvosteltua kirjaa, joista 845 oli käännöksiä. Päätavoite on ollut selvittää näiden valtasanomalehtien kritiikkejä tutkimalla, kummassa maassa kääntäjän ja käännöksen asema on näkyvämpi ja minkälaisia julkaistut käännöskritiikit ovat. Lisäksi tavoitteena on ollut tutkia, kumpi lehdistä on avoimempi vieraskielisiä kirjoja ja käännöksiä kohtaan. Kirja-arvostelujen lähemmälle tutkimiselle luodaan pohjaa perehtymällä kääntäjän ja käännöksen näkyvyyteen liittyviin seikkoihin. Tässä käytetään hyväksi Koskisen (2000) tutkimusta. Tutkimuksessa tarkastellaan myös, millainen on hyvä käännös eri kääntäjien ja tutkijoiden mielestä, sekä muita saman aihepiirin tutkimuksia ja aiheesta vallalla ollutta keskustelua. Lisäksi selvitetään, miksi laadukkaat käännösarvostelut ovat harvinaisia ja mistä tämä johtuu. Analyysivaiheen kvantitatiivisessa osassa perehdytään käännösten määrälliseen osuuteen sekä aineistossa että Ranskan ja Suomen kokonaisjulkaisumäärissä. Aineiston käännösarvostelut luokitellaan niiden sisällön mukaan. Tässä on käytetty soveltuvin osin Gullinin (1998) kehittelemää mallia. Käännösarvostelujen sisältöanalyysissa kiinnitetään huomiota niiden käännöstä ja kääntäjää koskeviin kommentteihin. Arvostelujen laadun ja kriitikkojen käyttämien arvosteluperusteiden pohdinta nojautuu aiheesta aikaisemmin tehtyihin teoreettisiin sekä empiirisiin tutkimuksiin. Pro gradu -työ sisältää myös erillisen katsauksen käännettyjen lastenkirjojen arvosteluihin sekä arvostelujen ulkopuolisiin kääntäjiin ja kääntämiseen liittyviin artikkeleihin. Koko tutkimuksen ajan lähestymistapa on vertaileva Le Monden ja Helsingin Sanomien välillä. Tutkimuksesta selviää, että Le Monde julkaisee huomattavasti enemmän kirja-arvosteluja. Molemmat lehdet sisältävät kuitenkin suhteellisesti yhtä paljon arvosteluja käännöskirjoista. Helsingin Sanomissa on enemmän vieraskielisten teosten arvosteluja, ja käännösten ja kääntäjän asema on huomattavasti näkyvämpi lehden kritiikeissä. Suurin osa Le Monden käännösarvosteluista sisältää vain kääntäjän nimen bibliografisissa tiedoissa. Helsingin Sanomissa vain alle puolet käännöskirjoista on arvosteltu tällä tavoin. Myös kritiikit, joissa kääntäjän nimeä ei mainita ollenkaan, ovat yleisempiä ranskalaislehdessä. Suhteellisen pieni osa käännösarvosteluista arvioi käännöksen laatua. Näille arvioille on ominaista perustelujen ja analyysin puuttuminen ja ne ovat usein lyhyitä. Arviot ovat sävyltään enimmäkseen positiivisia tai neutraaleja. Hyvin yleistä on myös se, että kriitikko sekoittaa kaksi eri asiaa: kääntäjän ja kirjailijan tyylin. Yleisin kriitikkojen käyttämä arviointikriteeri on tutkia käännöksen ja kohdekielen tai käännöksen ja lähtötekstin suhdetta. Monesti arviointikriteeri jää täysin epäselväksi. Helsingin Sanomien kritiikeissä kääntäjiin viitataan huomattavasti useammin myös itse arvostelutekstissä. Lehti tuo näkyvästi esille kääntäjiä muissakin kuin kirja-arvosteluartikkeleissaan. Sen sijaan Le Mondessa ei ole pelkästään kääntäjiä käsitteleviä tekstejä.

The effect of row configuration on yield reliability in grain sorghum: II. Modelling the effects of row configuration

In recent years many sorghum producers in the more marginal (<600 mm annual rainfall) cropping areas of Qld and northern NSW have utilised skip row configurations in an attempt to improve yield reliability and reduce sorghum production risk. But will this work in the long run? What are the trade-offs between productivity and risk of crop failure? This paper describes a modelling and simulation approach to study the long-term effects of skip row configurations. Detailed measurements of light interception and water extraction from sorghum crops grown in solid, single and double skip row configurations were collected from three on-farm participatory research trials established in southern Qld and northern NSW. These measurements resulted in changes to the model that accounted for the elliptical water uptake pattern below the crop row and reduced total light interception associated with the leaf area reduction of the skip configuration. Following validation of the model, long-term simulation runs using historical weather data were used to determine the value of skip row sorghum production as a means of maintaining yield reliability in the dryland cropping regions of southern Qld and northern NSW.

Reproductive biology of the red throat emperor Lethrinus miniatus (Pisces : Lethrinidae) from the southern Great Barrier Reef, Australia

The reproductive biology of the red throat emperor, Lethrinus miniatus (Schneider, 1801) was examined in the southern Great Barrier Reef (GBR), Australia. The species was found to display the characteristics of an incomplete metagynous hermaphrodite based on histological evidence and size frequency information. Over 95% of functional males possessed a remnant lumen, but there was no evidence of oocytes in the testes of males. A single transitional fish was sampled which had both ovarian and testicular tissue present in its gonad. Size frequency data showed that females dominated the smaller size classes with the majority of fish < 40 cm being females. Lethrinus miniatus had an extended spawning season from July-November, although spawning was more pronounced during the spring. Spawning was initiated earlier at lower latitudes. There was no particular size or age when sex change occurred since females older than 20 and males as young as 2-yrs old were sampled.

Low-density koala (Phascolarctos cinereus) populations in the mulgalands of south-west Queensland. II. Distribution and diet

This study used faecal pellets to investigate the broadscale distribution and diet of koalas in the mulgalands biogeographic region of south-west Queensland. Koala distribution was determined by conducting faecal pellet searches within a 30-cm radius of the base of eucalypts on 149 belt transects, located using a multi-scaled stratified sampling design. Cuticular analysis of pellets collected ffom 22 of these sites was conducted to identify the dietary composition of koalas within the region. Our data suggest that koala distribution is concentrated in the northern and more easterly regions of the study area, and appears to be strongly linked with annual rainfall. Over 50% of our koala records were obtained from non-riverine communities, indicating that koalas in the study area are not primarily restricted to riverine communities, as bas frequently been suggested. Cuticular analysis indicates that more than 90% of koala diet within the region consists of five eucalypt species. Our data highlights the importance of residual Tertiary landforms to koala conservation in the region.

Synthesis and structure of mixed ligand isonitroso-β-ketoiminenickel(II) complexes. Crystal structure of (1-ethoxycarbonyl-2-npropylimino-1-propanoneoximato) (1-methoxycarbonyl-2-imino-1-propanoneoximato)nickel(II)

Mixed ligand complexes of the type Ni(R-AB)(AC') and Ni(R-AC)(AB') where AB/AC denote N-bonded isonitroso- [3-ketoimino ligands, AB'/AC' denote the corresponding Obonded ligands and R = Me, Et, n-Pr are synthesised and characterised. The complexes are neutral with square planar geometry around nickel(II). The bonding isomerism of the isonitroso group is discussed on the basis of i.r. and 1H n.m.r. studies. The crystal structure of the title complex, Ni(n-Pr-IEAI)(IMAI') has been determined from diffractometer data by Patterson and Fourier methods and refined by least squares to R = 0.088 for 2209 observed reflections. Unit cell constants are: a = 11.945(2), b = 22.436(7), c = 13.248(5) ~, [3 = 95.13(2) ~ The space group is P2Jc with Z = 8. Niekel(II) has a square planar coordination of two imine nitrogens, an isonitroso-nitrogen (from n-Pr-IEAI) and another isonitrosooxygen (from IMAI').

Catalysis and mechanism of malonyl transferase activity in type II fatty acid biosynthesis acyl carrier proteins

One of the unexplored, yet important aspects of the biology of acyl carrier proteins (ACPs) is the self-acylation and malonyl transferase activities dedicated to ACPs in polyketide synthesis. Our studies demonstrate the existence of malonyl transferase activity in ACPs involved in type II fatty acid biosynthesis from Plasmodium falciparum and Escherichia coli. We also show that the catalytic malonyl transferase activity is intrinsic to an individual ACP. Mutational analysis implicates an arginine/lysine in loop II and an arginine/glutamine in helix III as the catalytic residues for transferase function. The hydrogen bonding properties of these residues appears to be indispensable for the transferase reaction. Complementation of fabD(Ts) E. coli highlights the putative physiological role of this process. Our studies thus shed light on a key aspect of ACP biology and provide insights into the mechanism involved therein.

Locus Bonus : The Relationship of the Roman Villa to its Environment in the Vicinity of Rome

The aim of this study is to examine the relationship of the Roman villa to its environment. The villa was an important feature of the countryside intended both for agricultural production and for leisure. Manuals of Roman agriculture give instructions on how to select a location for an estate. The ideal location was a moderate slope facing east or south in a healthy area and good neighborhood, near good water resources and fertile soils. A road or a navigable river or the sea was needed for transportation of produce. A market for selling the produce, a town or a village, should have been nearby. The research area is the surroundings of the city of Rome, a key area for the development of the villa. The materials used consist of archaeological settlement sites, literary and epigraphical evidence as well as environmental data. The sites include all settlement sites from the 7th century BC to 5th century AD to examine changes in the tradition of site selection. Geographical Information Systems were used to analyze the data. Six aspects of location were examined: geology, soils, water resources, terrain, visibility/viewability and relationship to roads and habitation centers. Geology was important for finding building materials and the large villas from the 2nd century BC onwards are close to sources of building stones. Fertile soils were sought even in the period of the densest settlement. The area is rich in water, both rainfall and groundwater, and finding a water supply was fairly easy. A certain kind of terrain was sought over very long periods: a small spur or ridge shoulder facing preferably south with an open area in front of the site. The most popular villa resorts are located on the slopes visible from almost the entire Roman region. A visible villa served the social and political aspirations of the owner, whereas being in the villa created a sense of privacy. The area has a very dense road network ensuring good connectivity from almost anywhere in the region. The best visibility/viewability, dense settlement and most burials by roads coincide, creating a good neighborhood. The locations featuring the most qualities cover nearly a quarter of the area and more than half of the settlement sites are located in them. The ideal location was based on centuries of practical experience and rationalized by the literary tradition.

Complexes Of Imidazoline-2-Thione And Its 1-Methyl Analogue With Cu(Ii), Zn(Ii), Cd(Ii) And Hg(Ii) Salts

The reaction of Cu(II), Zn(II), Cd(II) and Hg(II) chlorides and bromides with imidazoline-2-thione (IZT) and its N-methyl derivative (NMIZT) yields complexes of stoichiometry ML3X2 and ML2X (IZT) and its N-methyl derivative (NMIZT) yields complexes of stoichiometry ML3X2 and ML2X (where M=Cu(I)); copper(II) halides yield Cu(I) complexes. On the basis of infrared and 13C n.m.r.

To Petra via Jabal Haroun : Nabataean-Roman road remains in the Finnish Jabal Haroun Project survey area

Työ käsittelee Finnish Jabal Haroun Project -tutkimusryhmän Etelä-Jordaniasta inventoimalla keräämää arkeologista aineistoa (vuosilta 1999-2005) tietutkimuksen kannalta. Työn tarkoituksena on selvittää, miksi tutkimusalueella, Aaronin vuoren ympäristössä, sijaitsee tien jäänteitä ja miten tie on maastossa muinoin kulkenut. Lisäksi työ analysoi tien varsilla havaittujen rakennusten jäännösten suhdetta tiehen ja pyrkii ajoittamaan tien käyttöajankohdan (ajankohdat). Työn alkuoletuksena on, että pääosa tienvarsirakennuksista on liitettävissä tiehen ja tien sijoittuminen tutkimusalueelle johtuu pitkälti lähistöllä sijaitsevan Petran noususta merkittäväksi, Nabatealaisten harjoittaman kaupan keskukseksi, Lähi-idässä ajanlaskun alkuun mennessä. Tien jäänteitä tarkastellaan maisema-arkeologisin perustein. Tämä tarkoittaa sitä, että analyysissä korostuvat sekä kulttuuriset että ympäristölliset vaikuttimet. Niiden välistä, aikaan sidottua, suhdetta arvioidaan menneen ihmistoiminnan selittämiseksi. Tutkimusmenetelmät ovat paikkatietojärjestelmien soveltaminen, kohdekohtainen arkeologisen aineiston ja sijainnin tutkiminen, vertailevan aineiston käyttö sekä kolmiulotteinen tarkastelu. Tie ajoitetaan tienvarsikohteiden keramiikkalöytöjen avulla sekä rakenneanalyysin perusteella. Tutkimus osoittaa tien syntyneen alueen sijainnin takia. Sijainti oli edullinen suhteessa luonnonvaroihin, asutuskeskuksiin ja luontaisiin kulkuväyliin. Tien rakentajat osasivat taidokkaasti hyödyntää alueen luonnonpiirteitä ja käyttivät erityisiä menetelmiä vaikeiden tieosuuksien turvaamiseksi luonnonvoimien tuhoilta. Suurin osa tienvarsirakenteista voidaan katsoa johtuvan suoraan tien olemassaolosta, pieni osa rakenteista palveli pääsääntöisesti muita maankäytön muotoja. Petran vaikutus tien olemassaoloon ja muotoon oli suuri, kaupungin kehitys ja kukoistus näkyvät tiehen liitettävässä arkeologisessa aineistossa. Tien aktiivinen käyttö näyttää jatkuneen myös Roomalaisaikaan ensimmäisille vuosisadoille jKr., jonka jälkeen se hitaasti hiipui.

Flow of metal in constrained plane-strain extrusion forging- Part II

With many innovations in process technology, forging is establishing itself as a precision manufacturing process: as forging is used to produce complex shapes in difficult materials, it requires dies of complex configuration of high strength and of wear-resistant materials. Extensive research and development work is being undertaken, internationally, to analyse the stresses in forging dies and the flow of material in forged components. Identification of the location, size and shape of dead-metal zones is required for component design. Further, knowledge of the strain distribution in the flowing metal indicates the degree to which the component is being work hardened. Such information is helpful in the selection of process parameters such as dimensional allowances and interface lubrication, as well as in the determination of post-forging operations such as heat treatment and machining. In the presently reported work the effect of aperture width and initial specimen height on the strain distribution in the plane-strain extrusion forging of machined lead billets is observed: the distortion of grids inscribed on the face of the specimen gives the strain distribution. The stress-equilibrium approach is used to optimise a model of flow in extrusion forging, which model is found to be effective in estimating the size of the dead-metal zone. The work carried out so far indicates that the methodology of using the stress-equilibrium approach to develop models of flow in closed-die forging can be a useful tool in component, process and die design.