Comparative analysis of the trypanocidal activity and chemical properties of E-lychnophoric acid and its derivatives using theoretical calculations

E-Lychnophoric acid 1, its derivative ester 2 and alcohol 3 killed 100% of trypomastigote blood forms of Trypanosoma cruzi at the concentrations of 13.86, 5.68, and 6.48 µg/mL, respectively. Conformational distribution calculations (AM1) of 1, 2 and 3 gave minimum energies for the conformers a, b, c, and d, which differ from each other only in the cyclononene ring geometry. Calculations (DFT/BLYP/6-31G*) of geometry optimization and chemical properties were performed for conformers of 1, 2, and 3. The theoretical results were numerically compared to the trypanocidal activity. Calculated values of atomic charge, orbital population, and vibrational frequencies showed that the C-4-C-5 pi-endocyclic bond does not affect the trypanocidal activity of the studied compounds. Nevertheless, the structure of the group at C-4 strongly influences the activity. However, the theoretical results indicated that the intra-ring (C-1 and C-9) and pi-exocycle (C-8 and C-14) carbons of caryophyllene-type structures promote the trypanocidal activity of these compounds.

Experimental and theoretical investigation of the IR spectra and thermochemistry of four isomers of 2-N,N-dimethylaminecyclohexyl 1-N',N'-dimethylcarbamate

A combined experimental and Density functional theory (DFT) B3LYP/6-311+G* study on the IR spectra of four stable isomers of 2-N,N-dimethylaminecyclohexyl 1-N',N'-dimethylcarbamate was performed. Our theoretical calculations reveal that two new isomers of this compound exist and may be more stable than the known isomers. In addition the entropy, heat capacity, and the enthalpy content of the stable isomers are computed by fitting the calculated data to a standard Shomate equation and IR spectra for the two new isomers are presented.

Markkinatutkimustiedon hyödyntäminen yrityksen myynnin ja markkinoinnin tarpeisiin

Tutkimuksen tavoitteena oli selvittää, miten yrityksessä käytetään markkinatutkimustietoa ja -työkaluja sekä miten markkinatutkimustiedon käyttöä yrityksessä voisi kehittää tukemaan myynnin ja markkinoinnin tarpeita. Tutkimus suoritettiin laadullisena case-tutkimuksena. Tutkimuksen teoreettinen lähdeaineisto kerättiin kirjallisuudesta sekä tieteellisistä artikkeleista ja empiirinen aineisto suorittamalla haastatteluja sekä kysely yrityksen työntekijöille. Tutkimuksen teoreettisena pohjana käytettiin liiketoimintatiedon, markkinatiedon ja kilpailijatiedon hallintaa sekä markkinatietoprosessia erityisesti tiedon käytön ja hyödyntämisen näkökulmasta. Empiirinen aineisto tutkimukseen kerättiin haastattelemalla sekä suorittamalla kysely yrityksen myynnin ja markkinoinnin parissa toimiville henkilöille. Niin teorialähteiden kuin kohdeyrityksessä kerätyn empiirisen materiaalin pohjalta voidaan todeta, että markkinatietoa käytetään asiakasrajapinnassa sekä yrityksen sisäisessä strategiatyössä. Markkinatutkimustyökalujen ja -tiedon käyttöön organisaatiossa kannustavat tiedon helppo saatavuus ja käyttö sekä ajankäytön resurssointi uuden oppimiseen. Myös tiedon tuoreus ja lyhyet yhteenvedot koettiin tärkeiksi tekijöiksi tiedon tehokkaamman hyödyntämisen edesauttajaksi.

The concept of solution: Industry’s insights compared to theoretical views

Many manufacturing companies have started to offer complete solutions to their customers’ unique needs due to toughening competition and customer demand. Discourse on this kind of solution business is still developing, hence, there is not an established definition for the concept of solution. The aim of the study is to profoundly identify the concept of solution and to understand how the industry’s current views differ from the theoretical concepts. The describing dimensions are identified from selected 13 theoretical notions, and from responses, that the employees of five different companies have given. The 32 interview transcripts are analyzed with thematic analysis and qualitative content analysis. According to the findings, the concept of solution is characterized by integration, customization, risk-sharing, value co-creation, long-term orientation, and desired outcomes. The industry’s insights differ in terms of them all. The results illustrate, that a solution is a bundle, and the whole solution is customized on some level for a client. A solution supplier needs to be customer-focused, in which value co-creation is only a part. The solution solves the customer’s problem, and improves both the customer’s, and the supplier’s business. Neither long-term focus nor risks-sharing were directly employed to characterize the concept of solution. Differences are mainly due to the different approaches to the definitions and inexperience of the companies.

Effect of triplet encapsulated atoms in [60] fullerenes: a theoretical analysis

The present investigation reports on the interaction of the C/O triplet atoms inside of the [60] fullerene (C60) species with small polar molecules (H²O, CH³OH, HF, NH³) using Density Functional Theory (DFT) calculations. The calculations show that in all the computed cases the encapuslated complexes with the molecules are more stable than without internal atoms.

Hume, liberty and the object of moral evaluation

Hume's project concerning the conflict between liberty and necessity is ";reconciliatory";. But what is the nature of Hume's project? Does he solve a problem in metaphysics only? And when Hume says that the dispute between the doctrines of liberty and necessity is merely verbal, does he mean that there is no genuine metaphysical dispute between the doctrines? In the present essay I argue for: (1) there is room for liberty in Hume's philosophy, and not only because the position is pro forma compatibilist, even though this has importance for the recognition that Hume's main concern when discussing the matter is with practice; (2) the position does not involve a ";subjectivization"; of every form of necessity: it is not compatibilist because it creates a space for the claim that the operations of the will are non-problematically necessary through a weakning of the notion of necessity as it applies to external objects; (3) Hume holds that the ordinary phenomena of mental causation do not preempt the atribuition of moral responsibility, which combines perfectly with his identification of the object of moral evaluation: the whole of the character of a person, in relation to which there is, nonetheless, liberty. I intend to support my assertions by a close reading of what Hume states in section 8 of the first Enquiry.

On the development of object functions and restrictions for shapes made with a turret punch press

This study presents the information required to describe the machine and device resources in the turret punch press environment which are needed for the development of the analysing method for automated production. The description of product and device resources and their interconnectedness is the starting point for method comparison the development of expenses, production planning and the performance of optimisation. The manufacturing method cannot be optimized unless the variables and their interdependence are known. Sheet metal parts in particular may then become remarkably complex, and their automatic manufacture may be difficult or, with some automatic equipment, even impossible if not know manufacturing properties. This thesis consists of three main elements, which constitute the triangulation. In the first phase of triangulation, the manufacture occuring on a turret punch press is examined in order to find the factors that affect the efficiency of production. In the second phase of triangulation, the manufacturability of products on turret punch presses is examined through a set of laboratory tests. The third phase oftriangulation involves an examination of five industry parts. The main key findings of this study are: all possible efficiency in high automation level machining cannot be achieved unless the raw materials used in production and the dependencies of the machine and tools are well known. Machine-specific manufacturability factors for turret punch presses were not taken into account in the industrial case samples. On the grounds of the performed tests and industrial case samples, the designer of a sheet metal product can directly influence the machining time, material loss, energy consumption and the number of tools required on a turret punch press by making decisions in the way presented in the hypothesis of thisstudy. The sheet metal parts to be produced can be optimised to bemanufactured on a turret punch press when the material to be used and the kinds of machine and tool options available are known. This provides in-depth knowledge of the machine and tool properties machine and tool-specifically. None of the optimisation starting points described here is a separate entity; instead, they are all connected to each other.

Hiljaisen tiedon ja osaamisen jakamisen psykologiset esteet ja kannustimet

Kestävä kilpailuetu perustuu yhä enemmän resurssien, erityisesti tiedon luovaan hyödyntämiseen ja yhdistämiseen muiden resurssien kanssa. Hiljaisen tiedon ja osaamisen tehokkaan jakamisen avulla on mahdollista rakentaa organisaatiolle pysyvää kilpailukykyä. Tämän kvalitatiivisin menetelmin suoritetun tutkimuksen päätavoite on selvittää yksilön hiljaisen tiedon ja osaamisen jakamiseen vaikuttavia psykologisia esteitä ja kannustimia. Tavoitteena on myös selvittää tiedon arvoa yksilölle ja löytää keinoja tehostaa hiljaisen tiedon ja osaamisen jakamista Vakuutusyhtiössä. Tutkimuksen aineisto perustuu Vakuutusyhtiössä tehtyihin puolistrukturoituihin haastatteluihin. Teoreettinen viitekehys perustuu pääosin Herzbergin kaksifaktoriteoriaan.

Comparison of Local Feature Detectors and Descriptors for Visual Object Categorization

Local features are used in many computer vision tasks including visual object categorization, content-based image retrieval and object recognition to mention a few. Local features are points, blobs or regions in images that are extracted using a local feature detector. To make use of extracted local features the localized interest points are described using a local feature descriptor. A descriptor histogram vector is a compact representation of an image and can be used for searching and matching images in databases. In this thesis the performance of local feature detectors and descriptors is evaluated for object class detection task. Features are extracted from image samples belonging to several object classes. Matching features are then searched using random image pairs of a same class. The goal of this thesis is to find out what are the best detector and descriptor methods for such task in terms of detector repeatability and descriptor matching rate.

Asiakasorganisaatioiden ostokäyttäytymisen kartoitus huonekalumarkkinoilla toimivalle yritykselle

Tämä diplomityö liittyy uuden liiketoimintamahdollisuuden ja toimialan kartoittamiseen huonekalualan yritykselle. Työn tavoitteena on selvittää yrityksen mahdollisuudet toimia organisaatioiden ja yritysten välisillä huonekalumarkkinoilla Suomessa. Teoreettinen viitekehys koostuu organisaatioiden ostokäyttäytymiseen liittyvistä asioista. Osiossa käydään läpi yritysten ja organisaatioiden välisen kaupankäynnin erityispiirteet sekä yleisimmät teoreettiset mallit organisaatioiden ostokäyttäytymiseen liittyen. Työn empiirinen osuus tehdään kvalitatiivisen menetelmin. Tutkimustulokset kerätään henkilökohtaisin haastatteluin ja haastattelumuotona käytetään teemahaastattelua. Yritysten ja organisaatioiden väliset huonekalumarkkinat ovat avoimet. Uudelle markkina-alueelle siirtyminen on työlästä mutta potentiaalia toiminnan laajentamiseen on olemassa. Tutkimustuloksissa käydään läpi asiakasorganisaatioiden ostoprosessit, päätöksentekoyksiköt sekä niiden vaatimukset toimittajaa kohtaan. Tutkimuksessa selvitetään myös sopivin myynnin lähestymistapa.

KILPAILUETUA OSAAMISTA JOHTAMALLA - Tapaustutkimus innovatiivisessa teknologia-alan yrityksessä

Osaamisella on mahdollisuus luoda organisaatiolle kilpailuetua. Henkilöstön osaamisen johtaminen on yksi keskeinen tehtävä menestyvässä organisaatiossa. Osaamisen johtamisen tärkeimpänä tavoitteena on huolehtia strategialähtöisesti osaamisen kehittämisestä organisaation tehtävien suorittamiseksi. Tämän kvalitatiivisen case-tutkimuksen tavoitteena oli selvittää kohdeyrityksen osaamisen johtamisen nykytilaa ja kehittämismahdollisuuksia. Tutkimuksen teoreettisessa osassa esitellään henkilöstöjohtamisen perusteita, oppimista ja osaamista sekä osaamisen johtamista. Tutkimuksen kohteena olivat kaikki kohdeyrityksen esimiehet ja toimihenkilöt. Tutkimusmetodologiana käytettiin laadullista tapaustutkimusta ja tutkimusaineistona yrityksen henkilöstöltä hankittua tietoa. Tutkimuksen perusteella voitiin luoda kuvaus osaamisen johtamisesta kohdeyrityksessä. Yrityksen henkilöstöllä on hyvä osaaminen ja esimiehet tukevat osaamisen kehittymistä. Tutkimus toi esille joitakin kehittämistarpeita. Tutkimustulosten perusteella osaamisen johtaminen ei ole vielä täysin yhtenäistä ja systemaattista toimintaa. Osaamista tulisi kehittää strategian osoittamaan suuntaan. Tutkimuksen kehittämistoimena kohdeyritykselle tehdään ehdotus osaamisen johtamisen sisältävästä johtamisjärjestelmästä.

Economic Geographical Analysis of The Finnish Paper Industry

The purpose of this academic economic geographical dissertation is to study and describe how competitiveness in the Finnish paper industry has developed during 2001–2008. During these years, the Finnish paper industry has faced economically challenging times. This dissertation attempts to fill the existing gap between theoretical and empirical discussions concerning economic geographical issues in the paper industry. The main research questions are: How have the supply chain costs and margins developed during 2001–2008? How do sales prices, transportation, and fixed and variable costs correlate with gross margins in a spatial context? The research object for this case study is a typical large Finnish paper mill that exports over 90 % of its production. The economic longitudinal research data were obtained from the case mill’s controlled economic system and, correlation (R2) analysis was used as the main research method. The time series data cover monthly economic and manufacturing observations from the mill from 2001 to 2008. The study reveals the development of prices, costs and transportation in the case mill, and it shows how economic variables correlate with the paper mills’ gross margins in various markets in Europe. The research methods of economic geography offer perspectives that pay attention to the spatial (market) heterogeneity. This type of research has been quite scarce in the research tradition of Finnish economic geography and supply chain management. This case study gives new insight into the research tradition of Finnish economic geography and supply chain management and its applications. As a concrete empirical result, this dissertation states that the competitive advantages of the Finnish paper industry were significantly weakened during 2001–2008 by low paper prices, costly manufacturing and expensive transportation. Statistical analysis expose that, in several important markets, transport costs lower gross margins as much as decreasing paper prices, which was a new finding. Paper companies should continuously pay attention to lowering manufacturing and transporting costs to achieve more profitable economic performance. The location of a mill being far from markets clearly has an economic impact on paper manufacturing, as paper demand is decreasing and oversupply is pressuring paper prices down. Therefore, market and economic forecasting in the paper industry is advantageous at the country and product levels while simultaneously taking into account the economic geographically specific dimensions.

Konfiguraation hallintasuunnitelma Millog Oy:lle

Tämän diplomityön tarkoituksena oli tutkia tuotteiden konfiguraation hallinnan sisältöä ja tarkoitusta, sekä olemassa olevien konfiguraation hallinnan standardien vaatimuksia. Näiden vaatimusten mukaisesti, tavoitteena oli koota konfiguraation hallintasuunnitelma Millog Oy:n kunnossapitotoimintaan. Teoreettinen viitekehys laadittiin konfiguraation hallinnan kirjallisuuden sekä olemassa olevien standardien avulla. Teoriaosuudessa tarkasteltiin konfiguraation hallinnan sisällön lisäksi sen merkitystä ja puutteellisuudesta aiheutuvia ongelmia sekä konfiguraation hallinnan organisointia yrityksessä. Empiriaosuudessa tutkittiin Millog Oy:n tämän hetkistä tilaa konfiguraation hallinnan toiminnan osalta sekä nykytilan mahdollisuuksia standardien vaatimustasoiseen konfiguraation hallintaan. Aineistoa kerättiin keskusteluilla ja havainnoimalla. Nykytilan mahdollisuuksia verrattiin teoriaosuudessa käsiteltyihin vaatimuksiin. Vertailu toimii pohjana konfiguraation hallinnan jatkokehitykselle. Aineiston perusteella koottiin konfiguraation hallintasuunnitelma, joka vastaa sisällöltään ja rakenteeltaan standardien vaatimuksia ja joka on yrityksen nykytilaan soveltuva kun huomioidaan tietojärjestelmämahdollisuudet. Suunnitelma toimii ohjeistavana dokumenttina konfiguraation hallinnan toteuttamiseen ja kehittämiseen.

Bag-of-Features Approach to Unsupervised Visual Object Categorisation

The large and growing number of digital images is making manual image search laborious. Only a fraction of the images contain metadata that can be used to search for a particular type of image. Thus, the main research question of this thesis is whether it is possible to learn visual object categories directly from images. Computers process images as long lists of pixels that do not have a clear connection to high-level semantics which could be used in the image search. There are various methods introduced in the literature to extract low-level image features and also approaches to connect these low-level features with high-level semantics. One of these approaches is called Bag-of-Features which is studied in the thesis. In the Bag-of-Features approach, the images are described using a visual codebook. The codebook is built from the descriptions of the image patches using clustering. The images are described by matching descriptions of image patches with the visual codebook and computing the number of matches for each code. In this thesis, unsupervised visual object categorisation using the Bag-of-Features approach is studied. The goal is to find groups of similar images, e.g., images that contain an object from the same category. The standard Bag-of-Features approach is improved by using spatial information and visual saliency. It was found that the performance of the visual object categorisation can be improved by using spatial information of local features to verify the matches. However, this process is computationally heavy, and thus, the number of images must be limited in the spatial matching, for example, by using the Bag-of-Features method as in this study. Different approaches for saliency detection are studied and a new method based on the Hessian-Affine local feature detector is proposed. The new method achieves comparable results with current state-of-the-art. The visual object categorisation performance was improved by using foreground segmentation based on saliency information, especially when the background could be considered as clutter.

Warning system based on theoretical-experimental study of dispersion of soluble pollutants in rivers

Information about capacity of transport and dispersion of soluble pollutants in natural streams are important in the management of water resources, especially in planning preventive measures to minimize the problems caused by accidental or intentional waste, in public health and economic activities that depend on the use of water. Considering this importance, this study aimed to develop a warning system for rivers, based on experimental techniques using tracers and analytical equations of one-dimensional transport of soluble pollutants conservative, to subsidizing the decision-making in the management of water resources. The system was development in JAVA programming language and MySQL database can predict the travel time of pollutants clouds from a point of eviction and graphically displays the temporal distribution of concentrations of passage clouds, in a particular location, downstream from the point of its launch.