Experiences on Using TRAKLA2 to Teach Spatial Data Algorithms

AbstractThis paper reports on the results of a two year project in which visual algorithm simulation exercises were developed for a spatial data algorithms course. The success of the project is studied from several point of views, i.e., from developer's, teachers's, and student's perspective. The amount of work, learning outcomes, and feasibility of the system has been estimated based on the data gathered during the project. The results are encouraging, which motivates to extend the concept also for other courses in the future

The H-1 and C-13 chemical shifts of 5-5 lignin model dimers : An evaluation of DFT functionals

The calculations of H-1 and C-13 NMR chemical shifts were performed on three 5-5 lignin dimers, prominent substructures in softwood lignins, to compare with experimental data. Initially, 10 DFT functionals (B3LYP, B3PW91, BPV86, CAM-B3LYP, HCTH, HSEH1PBE, mPW1PW91, PBEPBE, TPSSTPSS, and omega B97XD) combined with the gage-including atomic orbital (GIAO) method and basic set 6-31G(d,p) were tested on 3,3'-(6,6'-dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-diyl)dipropionic acid (1), efficiently synthesized from ferulic acid. HSEH1PBE, mPW1PW91, and omega B97XD were found to be the three best performing functionals with strong correlations (r(2) >= 0.9988) and low errors (CMAEsPeer reviewe

Interactions of Ionic Liquids and Spirocyclic Compounds with Liposome Model Membranes. A Steady-State Fluorescence Anisotropy Study

Understanding the toxicity of ionic liquids (ILs) is crucial in the search of greener chemicals. By comparing in vivo toxicity and in vitro interactions determined between compounds and biomimetic lipid membranes, more detailed toxicity vs. structure relation can be obtained. However, determining the interactions between non-surface-active compounds and liposomes has been a challenging task. Organisational changes induced by ILs and IL-like spirocyclic compounds within 1,6-diphenyl-1,3,5-hexatriene-doped biomimetic liposomes was studied by steady-state fluorescence anisotropy technique. The extent of organisational changes detected within the liposome bilayers were compared to the toxicity of the compounds determined using Vibrio Fischeri bacteria. Four liposome compositions made of pure 1-palmitoyl-2-oleyl-sn-glycero-3-phosphocoline (POPC) and mixtures of POPC, 1-palmitoyl-2-oleyl-sn-glycero-3-phosphoserine (POPS), and cholesterol (Chol) were tested as biomimetic models. Changes observed within the POPC/POPS/Chol 55:20:25 bilayers correlated the best with the toxicity results: ten out of twelve compounds followed the trend of increasing bilayer disorder - increasing toxicity. The study suggests that the toxicity of non-surface-active compounds is dependent on their ability to diffuse into the bilayers. The extent of bilayer's organisational changes correlates rather well with the toxicity of the compounds. Highly sensitive technique, such as fluorescence anisotropy measurements, is needed for detecting subtle changes within the bilayer structures.Peer reviewe

Thermo-reversible cellulose micro phase-separation in mixtures of methyltributylphosphonium acetate and γ-valerolactone or DMSO

We have identified cellulose solvents, comprised of binary mixtures of molecular solvents and ionic liquids that rapidly dissolve cellulose to high concentration and show upper-critical solution temperature (UCST)-like thermodynamic behaviour - upon cooling and micro phase-separation to roughly spherical microparticle particle-gel mixtures. This is a result of an entropy-dominant process, controllable by changing temperature, with an overall exothermic regeneration step. However, the initial dissolution of cellulose in this system, from the majority cellulose I allomorph upon increasing temperature, is also exothermic. The mixtures essentially act as 'thermo-switchable' gels. Upon initial dissolution and cooling, micro-scaled spherical particles are formed, the formation onset and size of which are dependent on the presence of traces of water. Wide-angle X-ray scattering (WAXS) and C-13 cross-polarisation magic-angle spinning (CP-MAS) NMR spectroscopy have identified that the cellulose micro phase-separates with no remaining cellulose I allomorph and eventually forms a proportion of the cellulose II allomorph after water washing and drying. The rheological properties of these solutions demonstrate the possibility of a new type of cellulose processing, whereby morphology can be influenced by changing temperature.Peer reviewe

WtF-Nano : One-Pot Dewatering and Water-Free Topochemical Modification of Nanocellulose in Ionic Liquids or gamma-Valerolactone

Ionic liquids are used to dewater a suspension of birch Kraft pulp cellulose nanofibrils (CNF) and as a medium for water-free topochemical modification of the nanocellulose (a process denoted as "WtF-Nano"). Acetylation was applied as a model reaction to investigate the degree of modification and scope of effective ionic liquid structures. Little difference in reactivity was observed when water was removed, after introduction of an ionic liquid or molecular co-solvent. However, the viscoelastic properties of the CNF suspended in two ionic liquids show that the more basic, but non-dissolving ionic liquid, allows for better solvation of the CNF. Vibrio fischeri bacterial tests show that all ionic liquids in this study were harmless. Scanning electron microscopy and wide-angle X-ray scattering on regenerated samples show that the acetylated CNF is still in a fibrillar form. 1D and 2D NMR analyses, after direct dissolution in a novel ionic liquid electrolyte solution, indicate that both cellulose and residual xylan on the surface of the nanofibrils reacts to give acetate esters.Peer reviewe

Physical Properties of 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD) has useful catalytic properties and can form an ionic liquid when mixed with an acid. Despite its potential usefulness, no data on its thermodynamic and transport properties are currently available in the literature. Here we present the first reliable public data on the liquid vapor pressure (temperature from 318.23K to 451.2K and pressure from 11.1Pa to 10000Pa), liquid compressed density (293.15K to 473.15K and 0.092MPa to 15.788MPa), liquid isobaric heat capacity (312.48K to 391.50K), melting properties, liquid thermal conductivity (299.0K to 372.9K), liquid refractive index (293.15K to 343.15K), liquid viscosity (290.79K to 363.00K), liquid-vapor enthalpy of vaporization (318.23K to 451.2K), liquid thermal expansion coefficient (293.15K to 473.15K), and liquid isothermal compressibility of mTBD (293.15K to 473.15). The properties of mTBD were compared with those of other relevant compounds, including 1,5-diazabicyclo(4.3.0)non-5-ene (DBN), 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), and 1,1,3,3-tetramethylguanidine (TMG). We used the PC-SAFT equation of state to model the thermodynamic properties of mTBD, DBN, DBU, and TMG. The PC-SAFT parameters were optimized using experimental data.Peer reviewe

SUOMALAISEN KAUPPA-ALUKSEN VARAUTUMINEN MERIROSVOUHKAAN SOMALIAN RANNIKOLLA JA ADENINLAHDELLA

Opinnäytetyössä tutkitaan merirosvouden tilaa Somalian ja Adeninlahden alueella sekä selvitetään, kuinka suomalainen kauppa-alus voi varautua kasvavaan merirosvouhkaan. Työssä käsitellään Somalian historiaa lyhyesti ja myös viitataan siihen kuinka aikaisemmat tapahtumat vaikuttavat nykyiseen tilanteeseen. Opinnäytetyön yhteydessä on laadittu myös esimerkkiharjoituksia, jotka löytyvät liitteinä työn lopusta. Lukija, joka ei tunne hyvin työssä esiintyviä lyhenteitä, voi käyttää apuna liitteenä olevaa listaa, jossa työssä esiintyvät lyhenteet on selitetty. Maailmanlaajuisesti merirosvouteen on viime vuosina kiinnitetty entistä enemmän huomiota. Koska merirosvot ovat usein onnistuneet hyökkäyksissään, taloudellisia resursseja merirosvouhkan torjuntaan on kasvatettu vuosi vuodelta. Lähteestä ja laskentatavasta riippuen on arvioitu, että merirosvouden aiheuttamat kokonaiskustannukset vuonna 2011 6,6 - 6,9 miljardia yhdysvaltain dollaria. Pelkästään lunnasrahoja merirosvoille maksettiin 160 miljoonaa dollaria ja summa voi todellisuudessa olla jopa korkeampi. Suomalainen kauppa-alus voi omalla toiminnallaan vaikeuttaa ja jopa estää merirosvo hyökkäyksen. Oikea valmistautuminen sekä valmiiksi harjoitellut toimintatavat ovat osoittautuneet todellisuudessakin toimiviksi. Varustamoilta saadut resurssit omasuojajärjestelmien rakentamiseen sekä ammattimaisten vartijoiden palkkaamiseen ovat avainasemassa, kun luodaan toimivaa kokonaisuutta.For the past few years, public interest for the piracy situation in the area of Somali coast has increased significantly. This is due to the ruthless attacks done by pirates. Because of this phenomenon, the pressure for world wide community to increase the economical resources to solve the problem has increased. Depending on the source, the estimated cost of piracy for the world in the year 2011 was approximately 6.6- 6.9 US dollars. Nearly 160 million dollars was paid in ransom money to the pirates. This amount can be even higher in reality. This thesis examines the reality and the state of piracy in the area of Somali cost and the Gulf of Aden. This thesis also addresses briefly the history of the Somali State and which effects it has had on the current situation. This thesis was made by researching and combining different sources and applying the authors personal experiences and expertise. In conclusion, Finnish merchant vesselscan significantly decrease the possibility of pirate attacks or even stop them with effective use of self protection measures. The shipping companies have also an important role with necessary resources to hire professional guards and to create self-protective measures. Also, the right practices of the crew are in a key position for successful counter measures

Sähkön hinnan kehitykseen vaikuttaneet tekijät Suomessa vuonna 2022

Sähkön hinta on kohdannut suurta nousua vuoden 2022 aikana. Tämän opinnäytetyön tarkoituksena oli tutkia ja selvittää, mitkä tekijät ovat vaikuttaneet sähkön hinnan kehitykseen Suomessa ja mitä voimme odottaa tulevaisuudessa tapahtuvan sähkön hinnalle. Opinnäytetyöllä ei ollut erillistä toimeksiantajaa. Opinnäytetyössä toteutettiin kirjallisuuskatsaus, jossa hyödynnettiin ajankohtaisia ja luotettavia lähteitä. Opinnäytetyön tutkimuksellinen osuus toteutettiin sähköisen kyselyn muodossa, joka lähettiin tavallisille kuluttajille. Kyselyn tarkoituksena oli tutkia, miten tavallinen kuluttaja näkee sähkön hinnan kehityksen ja mitä syitä he tietävät tai olettavat olevan sähkön hinnan kehityksen taustalla. Opinnäytetyössä toteutetussa kirjallisuuskatsauksessa käy ilmi, miten monet eri tekijät ovat vaikuttaneet sähkön hinnan nousuun Suomessa. Sota Ukrainassa, koronapandemian vaikutukset, ydinvoiman ongelmat, sekä siirtyminen uusiutuvaan energiaan ovat kaikki vaikuttaneet sähkön hinnan nousuun. Mediassa on tietenkin eniten esille ollut Ukrainan sota ja tämä heijastuu kyselyn vastauksiin, jossa kysyttiin vastaajien tietoa ja oletuksia sähkön hinnan nousuun liittyvistä syistä