144 research outputs found
Role of thumb index fold in Wnt-4 protein and its dynamics through a molecular dynamics simulation study
International audienc
Ayad Akhtar: A Conversation
On October 25, Pakistani-born artist and RISD alumna Shahzia Sikander, the Painting Department\u27s 2016 Kirloskar Fellow, organized a lecture and conversation with playwright and author–and her frequent collaborator–Ayad Akhtar, at the RISD Metcalf Auditorium.https://digitalcommons.risd.edu/painting_kirloskarvisitingscholarlectures/1000/thumbnail.jp
Structural dynamics and inhibitor searching for Wnt-4 protein using comparative computational studies
Mirza A Hammad, Syed Sikander Azam National Center for Bioinformatics, Quaid-i-Azam University, Islamabad, Pakistan Abstract: Wnt-4 (wingless mouse mammary tumor virus integration site-4) protein is involved in many crucial embryonic pathways regulating essential processes. Aberrant Wnt-4 activity causes various anomalies leading to gastric, colon, or breast cancer. Wnt-4 is a conserved protein in structure and sequence. All Wnt proteins contain an unusual fold comprising of a thumb (or N-terminal domain) and index finger (or C-terminal domain) bifurcated by a palm domain. The aim of this study was to identify the best inhibitors of Wnt-4 that not only interact with Wnt-4 protein but also with the covalently bound acyl group to inhibit aberrant Wnt-4 activity. A systematic computational approach was used to analyze inhibition of Wnt-4. Palmitoleic acid was docked into Wnt-4 protein, followed by ligand-based virtual screening of nearly 209,847 compounds; conformer generation of 271 compounds resulted from extensive virtual screening and comparative docking of 10,531 conformers of 271 unique compounds through GOLD (Genetic Optimization for Ligand Docking), AutoDock-Vina, and FRED (Fast Rigid Exhaustive Docking) was subsequently performed. Linux scripts was used to handle the libraries of compounds. The best compounds were selected on the basis of having maximum interactions to protein with bound palmitoleic acid. These represented lead inhibitors in further experiments. Palmitoleic acid is important for efficient Wnt activity, but aberrant Wnt-4 expression can be inhibited by designing inhibitors interacting with both protein and palmitoleic acid. Keywords: thumb-index fold, comparative study, natural products, inhibitor searching, cancer, molecular docking, virtual screenin
The artist as anthropologist of the current globalisation: a view on the present-day cultural imagination in the artworks of Xu Bing, Takashi Murakami and Shahzia Sikander
© 2016 Critical Arts Projects & Unisa Press. Drawing on Joseph Kosuth’s characterisation of the artist as an engaged anthropologist, Maet argues that nowadays we can consider visual artists, such as Xu Bing, Takashi Murakami and Shahzia Sikander, as artist-anthropologists who express and research how cultural imagination is affected by globalisation. First, in line with De Saussure’s distinction between signifier and signified, the author stresses the relativity of the cultural references that are present in their artworks. Because the considered artists cut across the divisions between different cultural expressions of art, he argues that they bring an enlarged modernisation process into view, called global modernity. Next, the article elaborates on the connotations of signifiers. The author maintains that Xu Bing, Murakami and Sikander play with forms of cultural expressions, as well as with the cultural connotations attached to them, and that in doing so they create a new cultural imagination. Finally, the discussed artworks are typified as balancing acts respecting different cultural influences. In reference to Papastergiadis, this is interpreted as an aesthetic cosmopolitanism and it is argued that the discussed artists respect aesthetic and cultural limits to enable this ethical stance.status: Publishe
Zásadní studie optických, termoelektrických a elektronických vlastností komplexníxh materiálů
First Principle Studies of Optical, Thermoelectric and Electronic Characteristics of Complex Materials
Pokrok v optické telekomunikaci a v optických výpočetních zařízeních zvýšil poptávku po materiálech s vyššími optickými koeficienty.
Za tímto účelem bylo navrženo několik materiálů s vhodnými optickými vlastnostmi. Na základě nedávných studií byla pro vývoj těchto materiálů navržena skupina kvaternárních chalkogenidů. Široká variabilita ve složení i ve struktuře umožňuje ladit optické vlastnosti těchto chalkogenních sloučenin.
Skupina kvaternárních chalkogenidů byla sledována pro jejich rozsáhlé možnosti v technologických aplikacích, jako například ve fotovoltaice, optoelektronických aplikacích, termoelektrických aplikacích, v lékařství atd.
Velké pozornosti se těmto materiálům dostalo během několika posledních let, zejména kvůli jejich vylepšeným termoelektrickým a optoelektronickým vlastnostem. Většina výzkumu se týkala syntetizování sloučenin a studia jejich termoelektrických vlastností.
Teoretické studie jsou pro vývoj nových materiálů a zařízení pro různé průmyslové aplikace považovány za zásadní. Metody vycházející z prvních principů umožňují vyjít z databáze krystalových struktur a pomocí počítačových programů předpovědět vlastnosti a porozumět jim i v případě, že experimentální data nejsou k dispozici. Z toho důvodu jsme se zaměřili na studium kvaternárních chalkogenidů obsahujících síru (S), selen (Se), telur (Te) pomocí metod vycházejících z prvních principů. Teoretické výpočty mohou být nejlepším způsobem jak získat vhled do molekulárních vlastností. Hlavním cílem předkládané práce je studium elektronové struktury a optických a termoelektrických vlastností třídy kvaternárních chalkogenních sloučenin.
V této práci jsou prezentovány rozsáhlé výpočty elektronové struktury a optických vlastností uskutečněné v rámci teorie funkcionálu hustoty (DFT), která byla již mnohokrát úspěšně použita pro pevné látky. Pro výpočty elektronových struktur, teplotních vlastností a lineárních optických vlastností různých kvaternárních chalkogenních sloučenin jsme využili linearizovanou metodu přidružených vln pro úplný potenciál (full-potential linear augmented plane wave, FP-LAPW) implementovanou programem WIEN2k.
Získané výsledky ohledně struktury a elektronové struktury pak byly použity pro studium termoelektrických vlastností (elektrické a teplotní vodivosti, Seebeckova koeficientu, koecifientu termoelektrické účinnosti, výkonnostního faktoru) pomocí Boltzmanovy transportní rovnice v aproximaci konstantní relaxační doby.NeobhájenoAdvancement in optical telecommunications and optical computing devices has increased the demand for materials with greater optical coefficients. For that reason, several materials with suitable optical properties have been designed, some of which are based on the family of quaternary chalcogenide compounds. Their flexibility in varying composition as well as structure allows tuning their optical properties.
Quaternary chalcogenide compounds have gained popularity due to suitability for a wide range of technological applications, such as photovoltaic, optoelectronic, thermoelectric, medical, etc. Recently, these materials have been utilized more extensively owing to their improved thermoelectric and optoelectronic properties. Most of the extant work has been performed in synthesizing the compounds and studying their thermoelectric properties. Theoretical studies are considered fundamental in the evolution of novel materials and devices for various industrial applications. Applying the first principles method, it is now possible to access a database of crystal structures and use computer software to predict and understand material properties when experimental measurements are absent. The same approach was adopted in this work to study the structural, electronic, optical and thermoelectric properties of materials based on sulfur (S), selenium (Se), and tellurium (Te), i.e., the quaternary chalcogenide compounds. Theoretical calculations allow gaining better insight into molecular properties of these materials. The main aim of the present work is better understanding of the electronic structure, as well as optical and thermoelectric properties, of the aforementioned class of quaternary chalcogenide compounds.
In this thesis, the electronic structure and optical properties calculations are extensively studied by applying Density functional theory (DFT), which can successfully reveal different properties of many condensed matter systems. In addition, the full potential linear augmented plane wave (FP-LAPW) method, as incorporated in the WIEN2K code, is applied, to study the electronic structure, thermal properties and linear optical properties of some quaternary chalcogenide compounds.
Using the investigated structure, the thermoelectric properties (electrical and thermal conductivity, Seebeck coefficient, Figure of merit and power factor) are described, along with the development of Boltzmann transport equation with constant relaxation time approximation
Thermoelectric and optoelectronic properties of a heterocyclic isoxazolone nucleus compound
Electrical transport properties of potassium germanide tungstates (K10Ge18WO4): A theoretical study
Influence of Partners characteristics on the effective application of technology strategies: Case of a VTI
Technology strategies have assumed an important role in providing technological leadership to firms. A study conducted by the author in the East, revealed that the performance of firms is influenced by the type of technology strategies adopted. This result provided the motivation to explore if such strategies are relevant to the management of the 'services' sector and if their performance too is influenced by these adoptions. There is dearth of similar studies in the literature. More importantly, in this age of technology, there is a dire need for management to understand and implement appropriate technology strategies. The results could contribute to the literature/management in developing a set of strategies which could be termed as 'global' and applied to any sector and those termed as 'unique' which are specific to firm/service sector. In terms of the services sector, the nearest similarity to the technology intensive firms appear to be the vocational and technical institutions (VTI). The other justification to focus on technical institutions was that their performance is more affected by technology strategies/policies than the traditional primary and secondary schools/colleges. The big study sought to identify and analyse the level of awareness of participants on technology strategy issues and the perception of departments (including those in the Ministries) about technology management, gender, local/expatriate, qualification, teaching experience, years since last professional course completed, industry experience, understanding of quality, and department employed. This paper attempts to present the results on that part of the study which deals with the relationship between the type of the managers/management (gender, qualification, age etc) and the application of technology strategies. The participants included the staff and heads of departments at a technical college from an oil rich ASEAN country, the senior management at the college and the policy makers at the Department of Technical Education (DTE). The technology strategy (TS) and technology management (TM) data was desired from all the three groups. Data was collected through a questionnaire and analyzed using statistical techniques. A pilot-study helped to refine the questionnaire before it was administered. The study sets the tone to open up discussions and research interest towards applying strategic technology management tools in the education sector in a rapidly growing digital world. The type of managers/management revealed as part of this study has implications to the senior planners in the education sector in keeping pace with the technology age by providing valuable inputs to develop technology strategies/policies
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