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Search results for: GROMOS
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Molecular modelling of membrane sterols with the use of the GROMOS 96 forcefield
PublicationPodstawowym 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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SYNTHESIS AND PROPERTIES OF OLIGOMERS WITH HYDROXY END-GROUPS
PublicationMethods 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
PublicationIn 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
PublicationPaper 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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Methodology of semiconductor devices classification into groups of differentiated quality
PublicationZaproponowano 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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Work safety climate. Comparison of selected occupational groups
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Classification of high-voltage varistors into groups of differentiated quality
PublicationThe 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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The Role of Specific Side Groups and pH in Magnetization Transfer in Polymers
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On relations between gradient and classical equivariant homotopy groups of spheres
PublicationWe 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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Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups
PublicationRe(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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Grouts with highly thermally conductive binder for low-temperature geothermal applications
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Position and Orientation Estimation in Radio Network With Groups of Locally Synchronized Nodes
PublicationThis 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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Influence of substituents in vinyl groups on reactivity of parylene during polymerization process
PublicationPraca 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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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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Novel investigation of pyrolysis mechanisms and kinetics for functional groups in biomass matrix
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Representing and Managing Experiential Knowledge with Decisional DNA and its Drimos® Extension
PublicationThe 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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Determination of Hydroxy Groups in the Modified Epoxy Oligomers Using IR-Spectroscopy
PublicationThe 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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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublicationWe 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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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA 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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Internet system for supply and temperature control in server rooms
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Evaluating Asymmetric N-Grams as Spell-Checking Mechanism
PublicationTypical 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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Bromo(dithiobenzoato-k2S,S')tris(tetrahydrofuran-kO)magnesium(II): a redetermination
PublicationZwiązek [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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The Comparison Between the Calculated and HPLC-Predicted Lipophilicity Parameters for Selected Groups of Drugs
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Hybrid materials comprising trimethylglycinamide groups: immobilization consequences for anion binding affinities
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Consumer Perceptions of Peanuts and Peanut Allergy: The EuroPrevall Results of Focus Groups in Poland
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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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GROUPS OF GERMAN DOMESTIC APPLIANCE MANUFACTURERS ACCORDING TO NEW PRODUCT DEVELOPMENT PRACTICES
PublicationFinding 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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Comparative model tests of SDP and CFA pile groups in non-cohesive soil
PublicationThe 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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Modelling and simulation of striated muscle and groups of muscles in arm-forearm system 2D
PublicationModel 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
PublicationWhen 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
PublicationTypical 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...
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The effect of contrasting management types on two distinct taxonomic groups in a large-scaled windthrow
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Chemical Characteristics and Sensory Evaluation of Raw and Roasted Buckwheat Groats Fermented by Rhizopus Oligosporus
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Effect of roasting time of buckwheat groats on the formation of Maillard reaction products and antioxidant capacity
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Magnesium porphyrazine with peripheral methyl (3,5-dibromophenylmethyl)amino groups – synthesis and optical properties
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Cross-linking of polymer films using phenol-formaldehyde resins with different functional groups
PublicationWell-know phenol-formaldehyde resins are used in the production of press-materials, glues, protective coating, mastics. They take a special place among known oligomers because the products based on them are characterized by a low cost and a series of positive properties. Aim of the work: to show the possibility to create polymeric films based on epoxy resins and modified phenol-formaldehyde resins, which contain unsaturated double...
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Effect of chemical structure and deposition method on optical properties of polyazomethines with alkyloxy side groups
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Channel Impulse Response Measurements at mmWave Band in Office and Conference Rooms
PublicationIn this paper, the measurements of the channel impulse response at mmWave band in office and conference rooms are described. The central frequency is 27 GHz with a bandwidth of 400 MHz. The description of the used measurement stand and considered environments are presented. The initial analysis of the power delay profile, mean delay, and RMS delay spread allows preliminary conclusions to be drawn that there is a significant impact...
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CEE Trade in Services: Value-Added Versus Gross Terms Approaches
PublicationThis article assesses the impact of the determinants of service exports in both value-added terms and gross terms for seven Central Eastern European economies in 1995–2011. The results confirm the importance of increasing labor productivity and highly skilled and medium-skilled workers in the growth of trade in services. Exports of services are also supported by linkages between domestic services, especially business services,...
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On Deck Oil Spill Clean-Up Materials – Solution for Engine Rooms
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Challenges in determination of pesticides from various chemical groups in fruits and vegetables applying QuEChERS method
PublicationPesticides are a large group of compounds with different physical and chemical properties, which place some of them among the most toxic, environmentally stable, and mobile substances. Nevertheless, their number, use, and application are continuously expanding. A consequence of their use is the possible presence of residues in treated food products. To protect consumers from exposure to unacceptable levels of pesticides Maximum...
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Application of chiral chromatography for enantiomeric separation of currently used pesticides from various chemical groups
PublicationChiral pesticides account for more than 25 % of currently used pesticides and this ratio is still increasing. According to the number of chiral centers in the structure, a pesticide may consist of two or multiple enantiomers or stereoisomers. Studies into the stereoselective behaviour of pesticides started in the early 1990s and most research efforts focused on understanding the environmental fate and effects of these pesticides....
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Combined effect of nitrogen-doped functional groups and porosity of porous carbons on electrochemical performance of supercapacitors
PublicationIn this work, nitrogen-doped porous carbons obtained from chitosan, gelatine, and green algae were investigated in their role as supercapacitor electrodes. The effects of three factors on electrochemical performance have been studied— of the specific surface area, functional groups, and a porous structure. Varying nitrogen contents (from 5.46 to 10.08 wt.%) and specific surface areas (from 532 to 1095 m2g−1) were obtained by modifying...
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ANYTIME POLYNOMIAL HEURISTIC ALGORITHM FOR PARTITIONING GROUPS OF DATA WITH PRESERVING CLASS PROPORTIONS FOR CROSS-VALIDATION
PublicationThe article describes a problem of splitting data for k-fold cross-validation, where class proportions must be preserved, with additional constraint that data is divided into groups that cannot be split into different cross-validation sets. This problem often occurs in e.g. medical data processing, where data samples from one patient must be included in the same cross-validation set. As this problem is NP-complete, a heuristic...
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Role of the Hydroxyl Groups Coordinated toTiO2 Surface on the Photocatalytic Decomposition of Ethylene at Different Ambient Conditions
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