Search results for "Funk"
showing 10 items of 623 documents
Johtajien näkemyksiä sosiaalisesta mediasta työyhteisöviestinnässä
2016
Tämän puheviestinnän maisterintutkielman tavoitteena oli selvittää johtajien kokemuksia ja käsityksiä sosiaalisesta mediasta työyhteisöviestinnässä. Tutkimuksessa selvitettiin työyhteisöviestinnän tavoitteita ja funktioita, haasteita sekä johtajan roolia sosiaalisessa mediassa. Tässä tutkielmassa työyhteisöviestintä nähtiin muun muassa työhön ja työpaikan suhteisiin liittyvänä vuorovaikutuksena sosiaalisen median sovelluksissa, joihin kaikilla työyhteisön jäsenillä oli pääsy. Sosiaalinen media käsitettiin erilaisina kehittyneelle teknologialle perustuvina sovelluksina, jotka mahdollistavat monipuolisen vuorovaikutuksen ja sisällöntuotannon. Näitä sovelluksia ovat esimerkiksi Facebook, Skype…
Iterated function systems: natural measure and local structure
2003
Jaunas sakarības starp Būla funkciju jutīgumu un bloku jutīgumu
2015
Darbā tiek pētīta neatrisināta problēma skaitļošanas sarežģītības teorijā – Būla funkciju jutīguma s(f) saistība ar tādiem sarežģītības mēriem kā bloku jutīgums bs(f) un sertifikātu sarežģītība C(f). Populāra hipotēze apgalvo, ka jutīgums ir polinomiāli saistīts ar bloku jutīgumu un bs(f) = O(s(f)^c) kādai konstantei c. Līdz šim labākais zināmais novērtējums no augšas abiem mēriem ir eksponenciāls, bs(f) ≤ C(f) ≤ 2^(s(f)-1) s(f) - s(f) + 1, bet labākie atrastie piemēri sasniedz tikai kvadrātisku atstarpi, bs(f) = Ω(s(f)^2). Šajā darbā tiek pierādīts jauns novērtējums no augšas, bs(f) ≤ C(f) ≤ max(2^(s(f)-1) (s(f) - 1/3), s(f)).
Juvenila idiopātiska artrīta pacientu slimības aktivitātes novērtējums pieaugušo vecumā
2015
Juvenils idiopātisks artrīts (JIA) ir biežākā nezināmas izcelsmes hroniska autoimūna saslimšana, kas sākas līdz 16 gadu vecumam. Slimībai ir bieži remisijas un recidīvu periodi, kas izpaužas ar locītavu bojājumu un vairākām ar to saistītām komplikācijām, līdz pat invaliditātei. Agrīna artrīta diagnozes noteikšana ir svarīga tūlītējai terapijas uzsākšanai, lai panāktu slimības remisiju. Lai varētu panākt slimības remisiju, katram pacientam svarīgi noteikt slimības aktivitāti, lai izlemtu vai un cik aktīvi saņemtā terapija artrīta ārstēšanā ir jāmaina. JIA pacientiem bērnu vecumā ir noteikti kritēriji un mērījumi, kas jālieto, lai definētu slimības aktivitāti, tomēr ne visus no tiem var lieto…
DFT Prediction of Enhanced Reducibility of Monoclinic Zirconia upon Rhodium Deposition
2018
Oxides are an important class of materials and are widely used, for example, as supports in heterogeneous catalysis. In a number of industrial catalytic processes, oxide supports actively participate in chemical transformations by releasing lattice oxygen anions. While this is intuitively understood for reducible oxides, the reducibility of irreducible oxides may be modified via nanoengineering or upon inclusion of foreign species. Our calculations predict that the ability of irreducible monoclinic zirconia to release oxygen improves substantially upon deposition of rhodium. Through a comprehensive screening of Rh/ZrO2 with different size of the rhodium species, we find that a Rh adatom and…
Computational studies of gold-absorbate complexes on modified oxides
2016
While bulk gold is known for its chemical inertness, nanosized gold clusters are active catalysts for a variety of important reactions. For some practical applications gold clusters are supported and the cluster-support interaction can modify the cluster's properties. The knowledge of this interaction can be vital for obtaining desired cluster properties. In this thesis, the adsorption of Au atoms and clusters on modified oxide surfaces is studied using density functional theory (DFT) calculations. The support effects are considered by direct analysis of the adsorbed Au and using other coadsorbates as reactivity probes. Doping the CaO(001) surface by replacing a cation with a high valence d…
Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD: Anomalous Temperature Distributions from Commonly Used Thermostats.
2022
Density functional theory-based molecular dynamics (DFT-MD) has been widely used for studying the chemistry of heterogeneous interfacial systems under operational conditions. We report frequently overlooked errors in thermostated or constant-temperature DFT-MD simulations applied to study (electro)catalytic chemistry. Our results demonstrate that commonly used thermostats such as Nose−Hoover, Berendsen, and simple velocity rescaling methods fail to provide are liable temperature description for systems considered. Instead, nonconstant temperatures and large temperature gradients within the different parts of the system are observed. The errors are not a “feature” of any particular code but …
Synthesis of Unexpected Dimethyl 2-(4-Chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate via Hydrolysis/Cycloaddition/Elimination …
2021
Hydrolysis/[3 + 2] cycloaddition/elimination cascades employed for the synthesis of unexpected tricyclic compound derived from isoquinoline. Reaction of ethylene derivative 1 with the isoquinoline ester iminium ion 2 in alkaline medium (MeOH/NEt3) under reflux for 1 h resulted in the formation of the fused pyrrolo[2,1-a]isoquinoline derivative 3. Its structure was elucidated by X-ray single crystal and other spectrophotometric tools. Hirshfeld calculations for 3 and its crystal structure analysis revealed the importance of the short O…H (19.1%) contacts and the relatively long H…C (17.1%), Cl…H (10.6%) and C…C (6.1%) interactions in the molecular packing. DFT calculations were used to compu…
Optimizing the SYBR green related cyanine dye structure to aim for brighter nucleic acid visualization
2022
In recent years, the studies of RNA and its use for the development of RNA based vaccines have increased drastically. Although cyanine dyes are commonly used probes for studying nucleic acids, in a wide range of applications, there is still a growing need for better and brighter dyes. To meet this demand, we have systematically studied the structure of SYBR green-related cyanine dyes to gain a deeper understanding of their interactions with biomolecules especially how they interact with nucleic acids and the structural components which makes them strongly fluorescent. Herein, five new dyes were synthesized, and their photophysical properties were evaluated. Observations of photophysical cha…