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Wyniki wyszukiwania dla: GROMOS
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Hormos
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Molecular modelling of membrane sterols with the use of the GROMOS 96 forcefield
PublikacjaPodstawowym zadaniem tego projektu było udowodnienie zasadności stosowania pola siłowego GROMOS 96 do symulacji steroli błonowych metodą dynamiki molekularnej. Uzyskane wyniki jasno wskazują, że to pole siłowe bardzo dobrze nadaje się do symulacji silnie lipofilowych układów.
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TRANSFORMATION GROUPS
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Groups Complexity Cryptology
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Interest Groups & Advocacy
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Social Work with Groups
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Politics Groups and Identities
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Groups Geometry and Dynamics
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Kronos. Philosophical Journal
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NOMOS - KWARTALNIK RELIGIOZNAWCZY
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KRONOS. METAFIZYKA, KULTURA, RELIGIA
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Journal of Groups in Addiction & Recovery
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SYNTHESIS AND PROPERTIES OF OLIGOMERS WITH HYDROXY END-GROUPS
PublikacjaMethods of oligomers (polymers) with hydroxy end-groups obtaining are examined. The synthesis of hydroxy-containing oligomers based on epoxy resins is of special attention. The molecules of mentioned oligomers apart from free primary and secondary hydroxy groups contain epoxy, peroxy, carboxy or acrylic groups.
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Valuation of architectural heritage by multicultural student groups
PublikacjaIn this article, the author addresses the education of architecture students in the field of architectural history and the determination of the value of architectural objects. Important changes at present are underway concerning this. Both the role of architectural history in architectural education and content in architectural history curricula is changing. The need for re-evaluation...
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Formation of acoustic field in rooms
PublikacjaPaper describes known form literature method of sound diffusity index assesment, which utilizes impulse response of the room. Process of froming diffused sound field using this method was investigated.Increase of sound diffusity index in time was noted in rooms differing in shape,volume and reverberation time. Exponential growth of sound diffusion index was noted which correlates with other acoustical rooms measures.
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Work safety climate. Comparison of selected occupational groups
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Comparing of optical properties and morphology of polyoxadiazoles with CF3 groups
PublikacjaPurpose: The aim of this paper is to compare optical properties of 4-(1,1,1,3,3,3-hexafluoro-2(-4(-3(4-(5-(4-m-tolyoxy)phenyl)-1,3,4-oxadiazol-2-yl)phenoxy)phenylcarbomyl)phenyl)propan2-yl)-N-methylbenzamide(Oxad 6F-D) and 4-(1,1,1,3,3,3-hexafluoro-2(-4-(4-(4-(5-(4-(p-tolyoxy)phenyl)-1,3,4-oxadiazol-2-yl)phenoxycarbaomyl)phenyl)propan-2-yl)-N-methylbenzamide (Oxad 6F-E).Design/methodology/approach: The Oxad 6F polymer thin films...
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Methodology of semiconductor devices classification into groups of differentiated quality
PublikacjaZaproponowano klasyfikację przyrządów półprzewodnikowych do grup o zróżnicowanej jakości na podstawie ich szumów własnych z zakresu małych częstotliwości. Przedstawiono metodologię umożliwiającą stwierdzenie, czy zaproponowany parametr szumowy X dla danego typu przyrządu półprzewodnikowego może być stosowany do określenia jakości. Sprecyzowano przebieg badań wstępnych bazujących na ocenie wyników pomiarów szumów własnych z zakresu...
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Classification of high-voltage varistors into groups of differentiated quality
PublikacjaThe research was aimed on defining a factor of quality for high-voltage varistors using Non-Destructive Testing (NDT) techniques, which could be applied during the production testing. The newly proposed parameter Q determined on the basis of the lowest resonant frequency fr measured within the preselected frequency range was taken into account. The parameter Q was defined for ZnO structures after firing, without metallized contacts....
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CROMOHS-Cyber Review of Modern Historiography
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International Review on Modelling and Simulations (IREMOS)
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The Role of Specific Side Groups and pH in Magnetization Transfer in Polymers
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Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups
PublikacjaRe(L1)–Re(L3), a series of rhenium(I) tricarbonyl chloride complexes with bpy-R2 derivatives L1–L3 (bpy = 2,2′-bipyridine, R represents the substitution at the 4- and 4′-positions), and their corresponding trishomoleptic Ru(L1)3–Ru(L3)3 as well as heteroleptic ruthenium(II) complexes Ru(tbbpy)2(L1) and Ru(tbbpy)2(L2) have been synthesized and characterized. Their applicability as immobilizable metal–organic chromophores in solar...
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On relations between gradient and classical equivariant homotopy groups of spheres
PublikacjaWe investigate relations between stable equivariant homotopy groups of spheres in classical and gradient categories. To this end, the auxiliary category of orthogonal equivariant maps, a natural enlargement of the category of gradient maps, is used. Our result allows for describing stable equivariant homotopy groups of spheres in the category of orthogonal maps in terms of classical stable equivariant groups of spheres with shifted...
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Determination of Hydroxy Groups in the Modified Epoxy Oligomers Using IR-Spectroscopy
PublikacjaThe use of IR-spectroscopy has been proposed to determine the content of hydroxy groups in the modified functional oligomers based on bisphenol A diglycidyl ether. Apart from hydroxy groups the investigated oligomers contain epoxy or peroxy, carboxy or acrylic groups.
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Position and Orientation Estimation in Radio Network With Groups of Locally Synchronized Nodes
PublikacjaThis article presents a positioning system with groups of locally synchronized nodes. A mobile object is equipped with a group of several synchronized receivers that are able to measure the difference in the time of arrival of signals from reference transmitters. The reference transmitters are synchronized only in local groups, with no global synchronization between groups. It is assumed that the synchronous operation of transmitters...
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Representing and Managing Experiential Knowledge with Decisional DNA and its Drimos® Extension
PublikacjaThe Semantic Web concept is proposing a future concept of the WorldWideWeb (WWW) where both humans and man-made systems are able to interconnect and exchange knowledge. One of the challenges of Semantic Web is smart and trusted accommodation of knowledge in artificial systems so it can be unified, enhanced, reused, shared, communicated and distributed with added aptitude. Our research represents an important component of addressing...
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Novel investigation of pyrolysis mechanisms and kinetics for functional groups in biomass matrix
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The Effect of Aromatic Diimide Side Groups on the π-Conjugated Polymer Properties
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Stable anions formed by organic molecules substituted with superhalogen functional groups
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Grouts with highly thermally conductive binder for low-temperature geothermal applications
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Influence of substituents in vinyl groups on reactivity of parylene during polymerization process
PublikacjaPraca zawiera wyniki obliczeń kwantowych wielokonfiguracyjnych i DFT mechanizmów reakcji parylenu i cząsteczek z wiązaniami podwójnymi w fazie gazowej. Zbadany został i zanalizowany wpływ podstawników w strukturach alkenów na reaktywność parylenu i alkenów.
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublikacjaWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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Evaluating Asymmetric N-Grams as Spell-Checking Mechanism
PublikacjaTypical approaches to string comparing marks two strings as either different or equal without taking into account any similarity measures. Being able to judge similarity is however required for spelling error corrections, as we want to find the best match for a given word. In this paper we present a bi2quadro-grams method for spelling errors correction. The method proposed uses different n-grams dimension for the source (checked)...
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Internet system for supply and temperature control in server rooms
Publikacja.
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublikacjaA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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Bromo(dithiobenzoato-k2S,S')tris(tetrahydrofuran-kO)magnesium(II): a redetermination
PublikacjaZwiązek [MgBr(C6H5CS2)(C4H8O)3]zawiera ligand ditiobenzoesowy. Dzięki pomiarom rentgenograficznym w niskiej temperaturze została określona struktura tego związku. Kompleks posiada zniekształconą geometrię oktaedryczną.
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Hybrid materials comprising trimethylglycinamide groups: immobilization consequences for anion binding affinities
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The Comparison Between the Calculated and HPLC-Predicted Lipophilicity Parameters for Selected Groups of Drugs
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X-ray and NMR structural studies of the series of porphyrazines with peripheral pyrrolyl groups
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Synthesis and characterization of periphery-functionalized porphyrazines containing mixed pyrrolyl and pyridylmethylamino groups
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Synthesis, characterization, photochemical properties and cytotoxicity of the novel porphyrazine functionalized with nitroimidazolylbutylsulfanyl groups
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Probabilistic Sequence Mining – Evaluation and Extension of ProMFS Algorithm for Real-Time Problems
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Cyanido-Bridged Clusters with Remote N-Oxide Groups for Branched Multimetallic Systems
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Consumer Perceptions of Peanuts and Peanut Allergy: The EuroPrevall Results of Focus Groups in Poland
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Comparative model tests of SDP and CFA pile groups in non-cohesive soil
PublikacjaThe research topic relates to the subject of deep foundations supported on continuous flight auger (CFA) piles and screw displacement piles (SDP). The authors have decided to conduct model tests of foundations supported on the group of piles mentioned above and also the tests of the same piles working alone. The tests are ongoing in Geotechnical Laboratory of Gdańsk University of Technology. The description of test procedure, interpretation...
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GROUPS OF GERMAN DOMESTIC APPLIANCE MANUFACTURERS ACCORDING TO NEW PRODUCT DEVELOPMENT PRACTICES
PublikacjaFinding the best way to develop new products has been always a hot topic for practitioners and academics. However, so far only a few of these kinds of studies have concentrated on a single industry. In this paper, we group German domestic appliance manufacturers with regards to their new product development (NPD) practices to discover their attitude to NPD effort. By conducting a survey we found that three different groups of manufacturers...
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Modelling and simulation of striated muscle and groups of muscles in arm-forearm system 2D
PublikacjaModel mięśnia szkieletowego poprzecznie prążkowanego został przedstawiony jako szeregowe połączenie aktywnych i pasywnych odcinków reologicznych. Zasymulowane zostały: skurcze pojedyncze, niecałkowity skurcz tężcowy, całkowity skurcz tężcowy. Model zespołu mięśni w układzie ramię-przedramię opisu-je zmianę kąta obrotu przedramienia względem nieruchomego ramienia. Pobudzając zginacze i prostowniki był zasymulowany obrót przedramienia.
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublikacjaWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Improvement of Imperfect String Matching Based on Asymetric n-Grams
PublikacjaTypical approaches to string comparing treats them as either different or identical without taking into account the possibility of misspelling of the word. In this article we present an approach we used for improvement of imperfect string matching that allows one to reconstruct potential string distortions. The proposed method increases the quality of imperfect string matching, allowing the lookup of misspelled words without significant...