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Spine Toolbox is an application that provides means to define, manage, and execute energy system models. It gives the user the ability to collect, create, organize, and validate model input data, execute a model with selected data and finally archive and visualize the results or output data. Spine Toolbox is designed to support the creation and execution of scenarios in optimization and simulation. In the Spine project, the main use case has been SpineOpt, which is a highly adaptable model generator for multi-energy systems. In addition, Spine Toolbox supports a wide variety of other models and tools if they follow the conventions of Spine Toolbox or there is an interpreter between the application and the external tool. One of the conventions is the Spine data structure, which is an entity-relationship data model for a structured yet flexible storage of data. The interface to the data structure is an integral part of both Spine Toolbox and SpineOpt because it enables them to communicate using a common vocabulary. Spine Toolbox is implemented in Python and SpineOpt in Julia.This deliverable presents a high-level software design for Spine Toolbox and for the various tools it supports. It contains the application use cases, functional and non-functional requirements, system overview, chosen implementation language(s), dependencies, versioning, application validation requirements, testing and security requirements, and general development guidelines. The aforementioned have been collected in co-operation with Spine members and stakeholders, who have been using Spine Toolbox since its inception. The last chapter presents an overview of the Spine data structure. The first version of this deliverable was published in project M02 and this final version presents the updated design of the software. Spine is an open-source project. In the fall of 2018, Spine Toolbox source code and documentation was released to the public. Spine Toolbox as well as the whole Spine software suite is available in a web-based version control repository system called GitHub (https://github.com/Spine-project). In addition, the user guide and other documentation is available on https://readthedocs.org/. Spine Toolbox is licensed under the GNU Lesser General Public License (LGPL). Spine Toolbox documentation, user guide and all original graphics have been released with the Creative Commons BY-SA 4.0 license. We hope to attract a lively and active community around the Spine software suite that will continue development also after the project has ended.

Hydrogen free diamond-like carbon (DLC) coatings have been the subject of investigation all around the world for the last 30 years. One of the major problems in producing of thick high-quality DLC coatings has been the inadequate adhesion of the deposited film to the substrate. This obstacle is finally overcome by depositing an intermediate adhesion layer produced with high energy (>2 keV) carbon plasma before application of a high-quality coating produced with a low energy unit. To the best of our knowledge, this can be achieved (with reasonable yield for industrial purposes) only with the filtered pulsed arc discharge (FPAD) method developed by our group. In this thesis a new combination of in situ surface oxide reduction method with FPAD is presented. Novel anti-soiling DLC polymer hybrid coatings (DLC-p-h) can be deposited using a slightly modified FPAD system. Both the coatings and their deposition method are recent innovations invented in our research group. This method makes possible to combine diamond and polymer properties in the resulting coatings. Two novel hybrid coatings have been developed: DLC polytetrafluoroethylene hybrid (DLC-PTFE-h) and DLC polydimethylsiloxane hybrid (DLC-PDMS-h). These hybrid coatings are highly hydrophobic and oleophobic (dirt repelling). Therefore these novel coatings could probably be used as antifouling and wear resistant coatings to which pathogenic bacteria would adhere less than to conventional biomaterials in biomedical applications. These DLC-p-h coatings are not produced anywhere else in the world. In this thesis bacterial adhesion to DLC was studied under dynamic conditions. Our experiments demonstrated that the bacterial adhesion to DLC was similar to the adhesion to AISI 316L surgical steel commonly used in medical applications. This suggested that DLC coating can be used on implants made from AISI 316L or other materials without increasing the risk of implant-related infections. Adhesion of bacteria and human cells (hMSC, hOB, Saos-2) to our novel DLC-p-h coatings was also studied. Bacterial adhesion tests showed a potential application of DLC-PTFE-h coating as a less biofouling surface than DLC, titanium and oxidized silicon surfaces. Cell adhesion studies showed less adhesion on DLC-PDMS-h surfaces than on DLC or titanium surfaces and some of the cells even underwent programmed cell death caused by lack or loss of adhesion. Osteogenic differentiation study on DLC-PDMS-h surface showed impaired or delayed osteogenesis. Cytocompatibility and cytotoxicity tests proved that DLC-PTFE-h and DLC-PDMS-h coatings are biocompatible. In summary, these studies suggest that DLC-PTFE-h coatings could be used in medical applications where bone integration would be preferred while DLC-PDMS-h coating in orthopedic applications where an implant or implant-facet should be protected against bone overgrowth. Tieteellinen Tutkimus ORTONin tiloissa toimivassa timanttityhmässä kehitetyllä menetelmällä pystytään valmistamaan timantinkaltaisia hiilipinnoitteita (timanttipinnoitteita). Timanttiryhmässä timanttipinnoitteita on tutkittu jo 80-luvun puolivälistä lähtien. Suurimpana esteenä timanttipinnoitteiden käytännön sovellutuksille on ollut korkealaatuisten pinnoitteiden suuri sisäinen jännitys ja siitä aiheutuneet paksujen pinnoitteiden kiinnipysyvyysongelmat. Nyt pinnoitusmenetelmää on kehitetty niin että on mahdollista valmistaa hyvälaatuisia timanttipinnoitteita, jotka ovat paksuja (useita kymmeniä mikrometrejä) ja joilla on hyvä adheesio eli kiinnipysyvyys alustaansa. Väitöskirjatyössä esitetään miten pinnoitusprosessia voidaan vielä yksinkertaistaa hyvälaatuisten pinnoitteiden valmistusprosessissa. Nykyisin kehittämällämme pinnoitusmenetelmällä voidaan timanttipinnoitteeseen myös yhdistää polymeeripohjaisia muoveja. Yhdistämällä timantin kovuus ja halutut polymeerien ominaisuudet olemme luoneet mielenkiintoisia uusia materiaaleja. Tällä hetkellä olemme kokeilleet polytetrafluoroetyleenia (teflon) tai polydimetyylisiloksaania (silikoni) niiden likaa hylkivien ominaisuuksien johdosta. Ryhmässä tuotettuja DLC-PTFE-h (timantti-teflon hybridi) sekä DLC-PDMS-h (timantti-silikoni hybridi) pinnoitteita ei valmisteta vielä missään muualla maailmassa. Väitöskirjan tavoitteena oli tutkia timantti sekä timantti-muovihybridi -pinnoitteiden biovastetta selvittäen että voitaisiinko kyseisiä pintoja hyödyntää lääketieteellisissä sovellutuksissa esim. mikrobeja hylkivinä pintoina. Väitöskirjatyössä tehdyt tutkimukset osoittivat uusien timantti-muovi -hybridipinnoitteiden olevan bioyhteensopivia sekä niiden kyvyn estää bakteerien tai solujen kiinnittymistä kyseisille pinnoille. Erityisesti solujen kasvatus ja kantasolujen erikoistumiskokeissa (luusoluiksi) havaittiin DLC-PDMS-h pinnoitteen erinomainen kyky vastustaa solujen kiinnittymistä sekä luukudoksen muodostumista sen pinnalle. Lisäksi havaittiin DLC-PTFE-h pinnoitteeseen tarttuvan vähemmän bakteereita kuin titaani ja timanttipinnalle sekä sen olevan erinomainen kasvualusta luusoluille. Väitöskirjatyössä selvitettiin myös että pinnoittamalla timantilla yleisesti tunnettu (ja käytetty) biomateriaali kirurginen teräs (AISI 316L) ei vähennä materiaalin kykyä vastustaa bakteerien tarttumista pinnalle eikä näin myöskään altista potilasta bakteeri-infektioille sen enempää kuin kirurginen teräs.

11-(2-Bromo-2-methyl)propionyloxyundecyl trichlorosilane atom transfer radical polymn. (ATRP) initiator was covalently attached on montmorillonite clay platelets via silylation reactions. The initiator clay was used to polymerize Bu acrylate (BuA) and Me methacrylate (MMA) on the clay surface. Polymn. was performed in bulk monomer soln. or in DMSO. Polymer modified clay was mixed with a poly(BuA-co-MMA) matrix. Small angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) showed that clay modified in DMSO gave exfoliated composites when mixed with the matrix copolymer. Mech. properties of the composites were studied by dynamic mech. thermal anal. (DMTA). The results showed that the mech. properties were improved as a function of clay content, as well with an increasing homogeneity of the nanocomposite. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3086-3097, 2009. [on SciFinder(R)]

This work describes the thermoresponsive transition in polystyrene-block-poly(N-isopropylacrylamide)-block-polystyrene (PS-block-PNIPAM-block-PS) triblock copolymer hydrogels, as observed by both direct and reciprocal space in-situ characterization. The hydrogel morphology was studied in both the dry and wet state, at temperatures below and beyond the coil−globule transition of PNIPAM, using vitrified ice cryo-transmission electron microscopy (cryo-TEM), in-situ freeze-drying technique, and small-angle X-ray scattering (SAXS). The selected PS-block-PNIPAM-block-PS triblock copolymers were intentionally designed in such a molecular architecture to self-assemble into spherical and bicontinuous morphology with the poly(N-isopropylacrylamide) forming the continuous matrix. The phase behavior in bulk was directly investigated by SAXS as a function of temperature, while free-standing polymer thin films of samples quenched from different temperatures, allowed observing by cryo-TEM the changes in hydrogel microstructure. Finally, sublimation of water via controlled freeze-drying in the TEM column allowed studying systems without the presence of vitrified water, which enables direct imaging of the densely connected physically cross-linked polymer network. By combining these techniques on samples exhibiting both spherical and gyroidal morphologies, it was demonstrated that (i) PNIPAM form physically connected networks in spherical structures and bicontinuous morphologies in the gyroidal phase, (ii) in PNIPAM chains strands are strongly stretched above the polymer coil-to-globule transition, and (iii) surprisingly, upon the gel swelling process, the PS domains undergo extensive plastic deformation although temperature is always maintained well below the PS glass transition bulk temperature. The possible physical mechanisms responsible for this plastic deformation can be understood in terms of the dependence of PS glass transition temperature on the size of nanometer-scaled domains.