Web Applications for Monitoring Income and Expenses

Käesoleva magistritöö esimeses osas hinnati nelja Eesti turule suunatud veebirakendust isiklike sissetulekute ja väljaminekute jälgimiseks. Rakenduste juures hinnati registreerimist ja sisselogimist, kulu- ja tulukirjete käsitsi lisamist, pangaväljavõtete importimise tuge, andmete visuaalset esitust ja kasutusmugavust. Rakenduste omavahelise võrdluses kujunes välja järgmine paremusjärjestus: SEB Rahapäevik, Swedbank Rahaplaneerija, Perekonna Eelarve ja Rahakool. Pankade poolt pakutud rakenduste tugevateks külgedeks on turvalisus, automaatne tehingute lisamine ja kategoriseerimine ning tehingute visuaalne esitamine. Puudusteks on piirang, mis lubab kasutajaks registreerida ainult selle panga klientidel, ja teiste pangaväljavõtete importimise mitte võimaldamine. Sõltumatute rakenduste tugevateks külgedeks on piirangute puudumine kasutajaks registreerimisel ja erinevate pangaväljavõtete importimise tugi. Puudused on turvalisuse, tehingute lisamise ja kategoriseerimise, pangaväljavõtete importimise töökindluse ja rakenduse kasutusmugavuse osas. Töö teises osas otsiti uusi lahendusi olemasolevate rakenduste puuduste kõrvaldamiseks. Valminud prototüüprakendus asub aadressil https://cs.ut.ee/kte/ ja selle lähtekood on töö lisas. Käesoleva töö edasiarendusena võib prototüüprakenduses pakutuid lahendusi kasutada uue sissetulekuid ja väljaminekuid jälgiva rakenduse loomiseks või olemasolevate rakenduste parendamiseks.There is an increasing trend among Estonians to monitor their income and expenses. There are four main web applications for the Estonian market that help in doing that. These web applications can be classified into two groups: applications that are provided by banks, and independent applications. The Estonian web applications for monitoring income and expenses have not been previously studied. By examining the web applications, the author of the current thesis found several shortcomings in these applications. Based on these shortcomings, the objective of the thesis was to propose solutions for these weaknesses by creating a prototype application for monitoring income and expenses. The web applications provided by the banks proved to be good at security, adding and categorizing the transactions, and visual representation of the transactions. The main disadvantages of the applications provided by the banks are the restriction that allows only the clients of the bank to use it, and the lack of the possibility to import the bank statements from other banks. Independent web applications can be used by everybody and they provide the option to import different bank statements. The main disadvantages of independent web applications are related to the security, the adding and categorization of transactions, reliability of importing the bank statements, and the ease of use of the applications. In the second part of the thesis, the solutions for the problem areas were provided by creating a prototype web application for monitoring income and expenses. The source code of the prototype web application is provided in the appendix of the current thesis. The application is available at https://cs.ut.ee/kte/. As an extension of the thesis, the solutions provided in the web application prototype can be used for creating a new web application for monitoring income and expenses, or for improving the existing web applications

Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces

The electronic structure of benzene on graphite (0001) is computed using the GW approximation for the electron self-energy. The benzene quasiparticle energy gap is predicted to be 7.2 eV on graphite, substantially reduced from its calculated gas-phase value of 10.5 eV. This decrease is caused by a change in electronic correlation energy, an effect completely absent from the corresponding Kohn-Sham gap. For weakly-coupled molecules, this correlation energy change is seen to be well described by a surface polarization effect. A classical image potential model illustrates trends for other conjugated molecules on graphite.Comment: 4 pages, 3 figures, 2 table

Käibekapitali juhtimist mõjutavad tegurid Nordecon AS näitel

http://tartu.ester.ee/record=b2592387~S1*es

Terviseergonoomika õpik Tartu Tervishoiu Kõrgkooli üliõpilastele

http://tartu.ester.ee/record=b2514001~S1*es

Hydroxyl radical as an unlikely key intermediate in the photodegradation of emerging pollutants

This is the accepted version of the following article: Rodriguez-Muñiz, G. M., Gomis, J., Arques, A., Amat, A. M., Marin, M. L. and Miranda, M. A. (2014), Hydroxyl Radical as an Unlikely Key Intermediate in the Photodegradation of Emerging Pollutants. Photochemistry and Photobiology, 90: 1467–1469, which has been published in final form at http://dx.doi.org/10.1111/php.12325.In this work, a kinetic model, in combination with time-resolved experiments, is applied to assess the involvement of OH in the photodegradation of emerging pollutants (EPs) by means of advanced oxidation processes. In contrast with the general assumption, quenching of the short-lived OH in the real waters by the (highly diluted) EPs must be very inefficient, so removal of EPs cannot purely rely on the generation and reaction of OH. This suggests that more complex pathways have to be considered to explain the photodegradation of EPs actually achieved under the employed oxidative conditions, possibly involving other reactive species with longer lifetimes or chain degradation processes.This work was supported by the Spanish Government (Projects CTQ2012-38754-C03-03 and CTQ2012-38754-C03-02) and Technical University of Valencia (Predoctoral fellowship for J. Gomis).Rodríguez Muñiz, GM.; Gomis Vicens, J.; Arqués Sanz, A.; Amat Payá, AM.; Marín García, ML.; Miranda Alonso, MÁ. (2014). Hydroxyl radical as an unlikely key intermediate in the photodegradation of emerging pollutants. Photochemistry and Photobiology. 90(6):1467-1469. doi:10.1111/php.12325S14671469906Farré, M. la, Pérez, S., Kantiani, L., & Barceló, D. (2008). Fate and toxicity of emerging pollutants, their metabolites and transformation products in the aquatic environment. TrAC Trends in Analytical Chemistry, 27(11), 991-1007. doi:10.1016/j.trac.2008.09.010Malato, S., Fernández-Ibáñez, P., Maldonado, M. I., Blanco, J., & Gernjak, W. (2009). Decontamination and disinfection of water by solar photocatalysis: Recent overview and trends. Catalysis Today, 147(1), 1-59. doi:10.1016/j.cattod.2009.06.018Marin, M. L., Santos-Juanes, L., Arques, A., Amat, A. M., & Miranda, M. A. (2011). Organic Photocatalysts for the Oxidation of Pollutants and Model Compounds. Chemical Reviews, 112(3), 1710-1750. doi:10.1021/cr2000543Fatta-Kassinos, D., Meric, S., & Nikolaou, A. (2010). Pharmaceutical residues in environmental waters and wastewater: current state of knowledge and future research. Analytical and Bioanalytical Chemistry, 399(1), 251-275. doi:10.1007/s00216-010-4300-9SIES, H. (1993). Strategies of antioxidant defense. European Journal of Biochemistry, 215(2), 213-219. doi:10.1111/j.1432-1033.1993.tb18025.xChen, J., Pehkonen, S. O., & Lin, C.-J. (2003). Degradation of monomethylmercury chloride by hydroxyl radicals in simulated natural waters. Water Research, 37(10), 2496-2504. doi:10.1016/s0043-1354(03)00039-3Zeng, T., & Arnold, W. A. (2012). Pesticide Photolysis in Prairie Potholes: Probing Photosensitized Processes. Environmental Science & Technology, 47(13), 6735-6745. doi:10.1021/es3030808Wols, B. A., & Hofman-Caris, C. H. M. (2012). Review of photochemical reaction constants of organic micropollutants required for UV advanced oxidation processes in water. Water Research, 46(9), 2815-2827. doi:10.1016/j.watres.2012.03.036Santoke, H., Song, W., Cooper, W. J., & Peake, B. M. (2012). Advanced oxidation treatment and photochemical fate of selected antidepressant pharmaceuticals in solutions of Suwannee River humic acid. Journal of Hazardous Materials, 217-218, 382-390. doi:10.1016/j.jhazmat.2012.03.049Xu, H., Cooper, W. J., Jung, J., & Song, W. (2011). Photosensitized degradation of amoxicillin in natural organic matter isolate solutions. Water Research, 45(2), 632-638. doi:10.1016/j.watres.2010.08.024Canonica, S., & Freiburghaus, M. (2001). Electron-Rich Phenols for Probing the Photochemical Reactivity of Freshwaters. Environmental Science & Technology, 35(4), 690-695. doi:10.1021/es0011360Jacobs, L. E., Fimmen, R. L., Chin, Y.-P., Mash, H. E., & Weavers, L. K. (2011). Fulvic acid mediated photolysis of ibuprofen in water. Water Research, 45(15), 4449-4458. doi:10.1016/j.watres.2011.05.041Packer, J. L., Werner, J. J., Latch, D. E., McNeill, K., & Arnold, W. A. (2003). Photochemical fate of pharmaceuticals in the environment: Naproxen, diclofenac, clofibric acid, and ibuprofen. Aquatic Sciences - Research Across Boundaries, 65(4), 342-351. doi:10.1007/s00027-003-0671-8Dong, M. M., & Rosario-Ortiz, F. L. (2012). Photochemical Formation of Hydroxyl Radical from Effluent Organic Matter. Environmental Science & Technology, 46(7), 3788-3794. doi:10.1021/es2043454DeMatteo, M. P., Poole, J. S., Shi, X., Sachdeva, R., Hatcher, P. G., Hadad, C. M., & Platz, M. S. (2005). On the Electrophilicity of Hydroxyl Radical:  A Laser Flash Photolysis and Computational Study. Journal of the American Chemical Society, 127(19), 7094-7109. doi:10.1021/ja043692qPoole, J. S., Shi, X., Hadad, C. M., & Platz, M. S. (2005). Reaction of Hydroxyl Radical with Aromatic Hydrocarbons in Nonaqueous Solutions:  A Laser Flash Photolysis Study in Acetonitrile. The Journal of Physical Chemistry A, 109(11), 2547-2551. doi:10.1021/jp0452150Rodríguez-Muñiz, G. M., Marin, M. L., Lhiaubet-Vallet, V., & Miranda, M. A. (2012). Reactivity of Nucleosides with a Hydroxyl Radical in Non-aqueous Medium. Chemistry - A European Journal, 18(26), 8024-8027. doi:10.1002/chem.20120109

The (6-4) Dimeric Lesion as a DNA Photosensitizer

[EN] Based on our previous investigations into the photophysical properties of the 5-methyl-2-pyrimidone (Pyo) chromophore, we now extend our studies to the photobehavior of the dimeric (6-4) thymine photoproducts (6-4 PP) to evaluate their capability to act as instrinsic DNA photosensitizers. The lesion presents significant absorption in the UVB/UVA region, weak fluorescence emission, a singlet-excited-state energy of approximately 351 kJ mol(-1), and a triplet-excited-state energy of 297 kJ mol(-1). Its triplet transient absorption has a maximum at 420-440 nm, a lifetime of around 7 mu s, and a high formation quantum yield, Phi(ISC) = 0.86. This species is efficiently quenched by thymidine. Its DNA photosensitizing properties are demonstrated by a series of experiments run on a pBR322 plasmid. The lesion photoinduces both single-strand breaks and the formation of cyclobutane thymine dimers. Altogether, these results show that, the substitution of the pyrimidone ring at C4 by a 5-hydroxy-5,6-dihydrothymine does not cancel out the photosensitization properties of the chromophore.Spanish Government (CTQ2015-70164-P, RIRAAF RETICS RD12/0013/0009, Prometeo II program, Severo Ochoa program/SEV-2012-0267 and JAE-Predoc 2011-00740 to V. V.-C.) is gratefully acknowledged.Vendrell Criado, V.; Rodríguez Muñiz, GM.; Lhiaubet ., VL.; Cuquerella Alabort, MC.; Miranda Alonso, MÁ. (2016). The (6-4) Dimeric Lesion as a DNA Photosensitizer. ChemPhysChem (Online). 17(13):1979-1982. https://doi.org/10.1002/cphc.201600154S19791982171

Designing Transmitter Ligands That Mediate Energy Transfer between Semiconductor Nanocrystals and Molecules

Molecular control of energy transfer is an attractive proposition because it allows chemists to synthetically tweak various kinetic and thermodynamic factors. In this Perspective, we examine energy transfer between semiconductor nanocrystals (NCs) and π-conjugated molecules, focusing on the transmitter ligand at the organic-inorganic interface. Efficient transfer of triplet excitons across this interface allows photons to be directed for effective use of the entire solar spectrum. For example, a photon upconversion system composed of semiconductor NCs as sensitizers, bound organic ligands as transmitters, and molecular annihilators has the advantage of large, tunable absorption cross sections across the visible and near-infrared wavelengths. This may allow the near-infrared photons to be harnessed for photovoltaics and photocatalysis. Here we summarize the progress in this recently reported hybrid upconversion platform and point out the challenges. Since triplet energy transfer (TET) from NC donors to molecular transmitters is one of the bottlenecks, emphasis is on the design of transmitters in terms of molecular energetics, photophysics, binding affinity, stability, and energy offsets with respect to the NC donor. Increasing the efficiency of TET in this hybrid platform will increase both the up- and down-conversion quantum yields, potentially exceeding the Shockley-Queisser limit for photovoltaics and photocatalysis

МОДЕЛИРОВАНИЕ РЕЖИМА РЕГУЛИРОВОЧНОГО ТОРМОЖЕНИЯ ДЛИННОСОСТАВНОГО ПОЕЗДА

From the theory of train longitudinal dynamics it is known that with an increase in length and weight of a train, longitudinal forces grow. In addition, in the course of train movement in areas of rolling grade of the track to perturbations from kinks of the profile, perturbations associated with motion control can be imposed. Adverse overlay can lead to the emergence of longitudinal forces, hazardous under the terms of strength and stability of cars against derailments due to squeezing or pulling [1, 2]. The most unfavorable in this sense is the mode of regulating braking by air brakes, because then rate of change of brake forces remains unregulated. Therefore, when assessing the greatest forces in the train, and even more so in a long train, it is necessary to first take into consideration given control mode – pneumatic braking.The authors use mathematical and engineering methods, mathematical simulation. In line with the study of longitudinal vibrations of a train a discrete multibody model of trains as a system of rigid bodies is considered. With its help regulating braking mode by air brakes is calculated, which allows to ensure that maximum longitudinal forces in the train do not exceed the level allowed under the terms of traffic safety.В русле исследования продольных колебаний состава рассматривается дискретная многомассовая модель поезда как системы твердых тел. С ее помощью рассчитывается режим регулировочного торможения пневматическими тормозами, который позволяет добиться того, чтобы максимальные продольные силы в поезде не превышали уровня, допустимого по условиям безопасности движения

Non-emissive RuII Polypyridyl Complexes as Efficient and Selective Photosensitizers for the Photooxidation of Benzylamines

RTI2018-100709-B-C21 CTQ (QMC)-RED2018-102471-T) Junta de Castilla y Leon (BU087G19 FEDER (BU042U16-BU305P18).Five new RuII polypyridyl complexes bearing N-(arylsulfonyl)-8-amidoquinolate ligands and three of their biscyclometalated IrIII congeners have been prepared and employed as photocatalysts (PCs) in the photooxidation of benzylamines with O2. In particular, the new RuII complexes do not exhibit photoluminescence, rather they harvest visible light efficiently and are very stable in solution under irradiation with blue light. Their non-emissive behavior has been related to the low electrochemical energy gaps and rationalized on the basis of theoretical calculations (DFT analysis) that predict low S0←T1 energy values. Moreover, the RuII complexes, despite being non-emissive, display excellent activities in the selective photocatalytic transformation of benzylamines into the corresponding imines. The presence of an electron-withdrawing group (-CF3) on the arene ring of the N-(arylsulfonyl)-8-amidoquinolate ligand improves the photocatalytic activity of the corresponding photocatalyst. Furthermore, all the experimental evidence, including transient absorption spectroscopy measurements suggest that singlet oxygen is the actual oxidant. The IrIII analogues are considerably more photosensitive and consequently less efficient photosensitizers (PSs).authorsversionpublishe