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Search results for: STRUCTURE ELUCIDATION
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublicationRecently we have focused in the problem of preparation of carbamoylo-β-lactams as a result of oxidative cyclization of malonyl enamides. In our experiments we obtain mixture of two main β-lactam products: as a result of subsequent elimination and a second as a product of substitution. All of the produced β-lactams have trans configuration what was confirmed by 1H coupling constants. However id should be stressed that in the case...
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ENGINEERING STRUCTURES
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Relationship between electronic structure and geometry of silanethiols and their derivatives. Elucidation of copper group silanethiolates
PublicationWyznaczono strukturę elektronową wybranych silanotioli X3SiSH (dla X=H, C2H5, OCH3, F, Cl i Br) oraz powstalych z nich anionów. Geometrię i funkcje falowe wyznaczono przy użyciu teorii funcjonałów gęstości elektronowej DFT. Przeanalizowano wpływ efektów anomerycznych oraz wielkości calki nakładania sigma(Si-S) na obserwowane skrócenie wiązania Si-S przy deprotonowaniu silanotioli. Podano nowe wyjaśnienie wyjątkowo niskiej kwasowości...
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JOURNAL OF MOLECULAR STRUCTURE
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Isolation and structure elucidation of phenolic compounds from Cyclopiasubternata Vogel (honeybush) intact plant and in vitro cultures
PublicationZ materiału roślinnego i hodowli tkankowych Cyclopia subternata Vogel (miodokrzew) wyizolowano i zidentyfikowano matodami NMR i MS 10 związków. m.in. z grupy flawonów i glikozydów izoflawonów. 6 z nich po raz pierwszy wykryto w tym gatunku roślin.
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COMPOSITE STRUCTURES
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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THIN-WALLED STRUCTURES
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Toward elucidation of delithiation mechanism of zinc-substituted LiFePO4
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Structures
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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
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STRUCTURAL CHEMISTRY
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COMPUTERS & STRUCTURES
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Elucidating photoluminescent properties of Eu‐doped Ca–Al–Si–O(–N) glasses and the local structures of Eu ions
PublicationEuropium (Eu) ion–doped luminescent materials have attracted considerable attention for their numerous optical applications. Eu-doped Ca–Al–Si–O(–N) glasses were synthesized from a mixture of oxynitride glasses and Eu2O3 powder using a standard melt-quenching technique in a radiofrequency furnace. The source Eu trivalent ions primarily changed to Eu2+ during melting, and the ratio of Eu2+ ions increased with an increase in Eu content...
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Structural Dynamics and Stability of Composite Structures
PublicationThis an editorial for a special Issue devoted to the application of dynamic and stability analysis of composite structures. In structural applications, past few decades have seen outstanding advances in the use of composite materials including Functionally Graded Materials (FGM). Most structures, whether they are used in civil, marine, or aerospace engineering, are subjected to dynamic loads during their operation.Therefore, dynamic...
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Structural Dynamics and Stability of Composite Structures
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Methods for Elucidation of DNA-Anticancer Drug Interactions and Their Applications in the Development of New Drugs
PublicationDNA damaging agents including anthracyclines, camptothecins and platinum drugs are among most frequently used drugs in the chemotherapeutic routine. Due to their relatively low selectivity for cancer cells, administration is associated with adverse side effects, whereas the inherent genotoxicity of these drugs is associated with risk of developing secondary cancers. Development of new drugs, which could be spared of these drawbacks...
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Facing the brainstorming theory. A case of requirements elicitation
PublicationKnowledge is still considered to be power and its externalization makes it possible for others to use that power. In this paper, we examine the theory of brainstorming, and the claim by father Alex Osborn that in a group session an individual can think of twice as many ideas than working alone. In the context of requirements elicitation, we performed an experiment on a “nominal” and a “real” group of participants, following a procedure...
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JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
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SMART MATERIALS & STRUCTURES
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PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
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Wpływ struktury siluminu na skrawalność = Effect of silumin structure on machinability
PublicationBadano odlewy ciśnieniowe ze siluminu EN AC-AlSi7Cu2 pochodzące z dwóch partii różniące się skrawalnością, w zakresie składu chemicznego, mikrostruktury na mikroskopie świetlnym i skaningowym z EDS oraz składu fazowego na dyfraktometrze rentgenowskim. Stop o niższej skrawalności posiadał mniejszą dyspersję eutektyki, większe stężenie tytanu w roztworze aluminium, wydzielenia fazy międzymetalicznej Al i Ti oraz większe skupiska...
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Desmuramylopeptydy - struktura i aktywność biologiczna = Desmuramylpeptide - structure and biological activity
PublicationWśród fragmentów bakteryjnych ścian komórkowych, ktore wzbudzają duże zainteresowanie, są tak zwane desmuramylopeptydy. Są to cząsteczki nie zawierające reszty kwasu muraminowego. W niniejszym artykule opisano desmuramylopeptydy, które z uwagi na swoje właściwości farmakologiczne, takie jak stymulowanie niespecyficznej odporności przeciwbakteryjnej, aktywność przeciwwirusową i przeciwnowotworową oraz synergistyczne oddziaływanie...
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Elastic wave propagation in frame structure in the context of structural health monitoring
PublicationPraca dotyczy propagacji fal sprężystych r konstrukcji ramowej w ośrodku typu belka Timoszenki. Do obliczeń numerycznych wykorzystano wielowęzłowe spektralne elementy skończone klasy C0. Omówiono algorytm całkowania po czasie i sformułowano wnioski dotyczące liczby węzłów na długość fali.
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Elucidation of the effect of some cholinium amino acid ionic liquids on the thermal and the conformational stability of insulin
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Application of the 2-deoxyglucose scaffold as a new chiral probe for elucidation of the absolute configuration of secondary alcohols
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Application of the 2-deoxyglucose scaffold as a new chiral probe for elucidation of the absolute configuration of secondary alcohols
PublicationHerein, we present the application of 2-deoxy-D-glucose derivatives as chiral probes for elucidation of the absolute configuration of chiral secondary alcohols. The probes are attached to the studied molecules via glycosylation reaction and the resulting products are examined by a set of standard 2D NMR experiments. The absolute configuration of an oxymethine carbon atom binding the probe is established on a basis of a set of diagnostic...
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INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
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Word Structure
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Electronic Structure
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Structure and Bonding
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Creation of structures by 4, 5 and 6-year-old children, considering the conditions for the structure
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Tomasz Klimczuk prof. dr hab. inż.
PeopleStopnie naukowe i zawodowe dr hab. (2008) Wydz. FTiMS PG dr (2001) Wydz. FTiMS PG inż. (1997) Wydz. ZiE PG mgr inż. (1995 )Wydz. FTiMS PG Zatrudnienie grudzień 2013 – do chwili obcecnejprofesor nadzwyczajny na Wydziale Fizyki Technicznej i Matematyki Stosowanej Politechniki Gdańskiej wrzesień 2012 – grudzień 2013 adiunkt na Wydziale Fizyki Technicznej i Matematyki Stosowanej Politechniki Gdańskiej wrzesień 2009 – sierpień 2012grant-holder...
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Elucidating of oxidative distress in COVID-19 and methods of its prevention
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MARINE STRUCTURES
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Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures
PublicationComposite materials are widely used in manufacture of aerospace and wind energy structural components. These load carrying structures are subjected to dynamic time-varying loading conditions. Robust structural dynamics identification procedure impose tight constraints on the quality of modal models estimates obtained from vibration experiments. Modal testing results are influenced by numerous factors introducing uncertainty to...
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A Generalized Framework Towards Structural Mechanics of Three-layered Composite Structures
PublicationThree-layered composite structures find a broad application. Increasingly, composites are being used whose layer thicknesses and material properties diverge strongly. In the perspective of structural mechanics, classical approaches to analysis fail at such extraordinary composites. Therefore, emphasis of the present approach is on arbitrary transverse shear rigidities and structural thicknesses of the individual layers. Therewith...
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublicationRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
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Influence of separation gap on the structural response of colliding structures under earthquake excitation
PublicationThe high level of urbanization in the XXIst century forces the designers to design closely-separated structures and to take into account many factors influencing their response during seismic excitation, which are the most unpredictable loads which can affect civil engineering structures. Interactions between insufficiently adjacent buildings, known as the earthquake-induced structural pounding, may cause serious damage to the structures,...
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Elucidation of transformation pathway of ketoprofen, ibuprofen, and furosemide in surface water and their occurrence in the aqueous environment using UHPLC-QTOF-MS
PublicationThe identification and determination of transformation products (TPs) of pharmaceuticals is essential nowadays, in order to track their fate in the aqueous environment and, thus, to estimate the actual pollution. However, this is a challenging task due to the necessity to apply high-resolution instruments enable to detect known and unknown compounds. This work presents the use of liquid chromatography quadrupole time-of-flight...
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Structure and Environment
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Synthesis, Structure, and Spectroscopic Properties of Calcium Thiophenecarboxylate Polymers. Structural Comparison with Analogous Lead Complexes
PublicationThree novel calcium coordination polymers [Ca(2tpCOO)2(2mpa)(H2O)]n (1), [Ca(3tpCOO)2(2mpa)(H2O)]n (2), and {[Ca(3tpacCOO)2(H2O)2]⋅⋅⋅H2O}n (3) (2tpCOO− or 3tpCOO− – thiophene-2- or thiophene-3-carboxylate, 3tpacCOO− – thiophene-3-acetate, 2mpa – 2-methylpropanal), were synthesised using a self-assembly method. The obtained polymers were characterised using SC-XRD, FTIR, UV-Vis DRS, thermogravimetric and luminescence analyses. The...
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Exploring an Ontological Approach for User Requirements Elicitation in the Design of Online Virtual Agents
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Exploring ontological approach for user requirements elicitation in design of online virtual agents
PublicationEffective user requirements elicitation is a key factor for the success of software development projects. There are many qualitative and quantitative research studies that promulgate particular methods and show the application of user requirements elicitation in particular domains. However, few try to eliminate the burden of ambiguity in gathered data, naturally occurring in different groups of stakeholders. This paper deals with...
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WIND AND STRUCTURES
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Bridge Structures
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Earthquakes and Structures
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Small Structures
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Investigation on Damage-Involved Structural Response of Colliding Steel Structures during Ground Motions
PublicationEarthquakes are the most unpredictable damaging loads which can affect civil engineering structures. Due to insufficient separation distance between adjacent structures with different dynamic properties, structural collisions may occur during ground motions. Although the research on structural pounding has recently been much advanced, the studies have mainly been conducted for concrete structures. The aim of this paper is to show...