Search results for: Cocrystal Screening
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Heat transfer augmentation using liquid crystal
PublicationPraca przedstawia zastosowanie techniki wizualizacji ciekłokrystalicznej dobadań wymiany ciepła na płaskiej powierzchni z zaburzaczami. Folia ciekło-krystaliczna została umieszczona na powierzchni, aby określić przebieg izoterm. Obraz rejestrowano kamerą JVC, a następnie analizowano komputerowo. Procedura eksperymentalna pozwala na otrzymanie pełnej informacji dotyczącej wymiany ciepła (na powierzchni płaskiej z elementami ustawionymi...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Selection of effective cocrystals former for dissolution rate improvement of active pharmaceutical ingredients based on lipoaffinity index
PublicationNew theoretical screening procedure was proposed for appropriate selection of potential cocrystal formers possessing the ability of enhancing dissolution rates of drugs. The procedure relies on the training set comprising 102 positive and 17 negative cases of cocrystals found in the literature. Despite the fact that the only available data were of qualitative character, performed statistical analysis using binary classification...
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Badania przesiewowe w kierunku depresji w wybranej dorosłej poulacji wiejskiej - doniesienie wstępne = Screening for depression in adult rural population-preliminary study
PublicationZe względu na częste występowanie zaburzeń depresyjnychoraz ich współistnienie z chorobami somatycznymi i niekorzystny wpływ na przebieg leczenia podkreśla się wagę badań przesiewowych których głównym celem jest zarówno dokonanie szybkiej, wstępnej diagnozy, jak i ocena częstości występowania danego zaburzenia.
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublicationCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Initial Stages of Angiosperm Greening Monitored by Low-Temperature Fluorescence Spectra and Fluorescence Lifetimes
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Greening procedures and analytical parameters. The polychlorinated naphthalenes analysis in complex matrices as proof of concept
PublicationDue to the complexity of analytical procedures employed for the determination of wide spectrum of persistent organic pollutants (POPs), it is important to consider the green character of the applied protocols and propose the greenest solutions. In this review, the green aspects of several analytical procedures used for the determination of polychlorinated naphthalenes (PCNs) (as a representatives of POPs) in different types of...
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Electronic structure and physical properties of EuAuAs single crystal
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Heat transfer augmentation visualized by liquid crystal thermography
PublicationW pracy przedstawiono możliwości wykorzystania termografii ciekłokrystalicznej do badań wymiany ciepła oraz wizualizacji pola przepływu w elementach urządzeń przemysłowych.
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High Pressure Spectroscopy of Ce Doped Yag Crystal
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CdWO/sub 4/ crystal in gamma-ray spectrometry
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Revisiting properties of CaCoSinO2n+2. Crystal and electronic structure
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Crystal growth and properties of a binary intermetallic ZrBi2 compound
PublicationSingle crystals of ZrBi2 were grown by a self-flux method. The material adopts TiAs2 structure type with lattice parameters: a = 10.233(4) Å, b = 15.581(2) Å, c = 3.994(5) Å. Crystals of ZrBi2 were studied by means of magnetic susceptiblity, specific heat and resistivity measurements. The compound reveals a metallic-like behavior (RRR = 30). The Sommerfeld coefficient equals γ = 1.59(16) mJ mol-1 K-2 and Debye temperature ΘD =...
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Crystal Facet Engineering of TiO2 from Theory to Application
PublicationRecently, the surface structure effect on photocatalytic activity has gathered increasing attention due to its reported influence on the charge carrier trapping and separation. Detailed control over the surface structure can be achieved by exposing the specific crystal facets. As a result, the photogenerated electrons and holes can be effectively separated between the different facets of semiconductor crystals. TiO2 is the most...
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Influence of Processing Conditions on Crystal Structure of Bi6Fe2Ti3O18 Ceramics
PublicationAim of the present research was to apply a solid state reaction route to fabricate Aurivillius-type ceramics described with the formula Bi6Fe2Ti3O18 (BFTO) and reveal the influence of processing conditions on its crystal structure. Pressureless sintering in ambient air was employed and the sintering temperatures were 850 and 1080 °C. It was found that the fabricated BFTO ceramics were multiphase ones. They consisted of two Bim+1Fem-3Ti3O3m+3...
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Cancer stem cells and escape from drug-induced premature senescence in human lung tumor cells: implications for drug resistance and in vitro drug screening models
PublicationBadania z użyciem modelu komórek nowotworu płuc A549 wykazały, że komórki te po traktowaniu lekami uszkadzającymi DNA zatrzymują proliferację i wchodzą w stan starzenia komórkowego. Jednak post-inkubacja tych komórek prowadzi do powrotu do stanu proliferacji małej frakcji komórek. Wykazaliśy, że frakcja ta związana jest z obecnością komórek pierwotnych nowotworu w populacji komórek A549. Powrót do stanu proliferacji komóek A549...
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Phytochemical screening and effect of Viscum album L. on monoamine oxidase A and B activity and serotonin, dopamine and serotonin receptor 5-HTR1A levels in Galleria mellonealla (Lepidoptera)
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Current trends in analytical strategies for determination of polybrominated diphenyl ethers (PBDEs) in samples with different matrix compositions – Part 1.: Screening of new developments in sample preparation
PublicationPolybrominated diphenyl ethers (PBDEs) are ubiquitous compounds in the environment. Restrictions on the use of PBDEs introduced at the beginning of the 21st century have not eliminated these highly persistent and bioaccumulative compounds from the environment. Despite many existing regulations to control and phase out, extensive research on PBDEs is still necessary to fully evaluate the hazard their create to the environment. In...
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Polish Conference on Crystal Growth 2022
EventsWelcome to the webpage of the Polish Conference on Crystal Growth 2022! The conference will be held in Gdańsk, Poland on June 19-24, 2022. The event is organized by the Polish Society for Crystal Growth (PTWK) in collaboration with Gdańsk University of Technology and the ENSEMBLE 3 Centre...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublicationThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Crystal fields, disorder, and antiferromagnetic short-range order in Yb0.24Sn0.76Ru
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Crystal field model of the three principal Cr3+centers in LiTaO3
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Liquid crystal thermography and true-colour digital image processing
PublicationW ostatnich latach termografia ciekłokrystaliczna i komputerowa analiza kolorowych obrazów jest z powodzeniem stosowana w technikach nieinwazyjnych, badaniach i aplikacjach przemysłowych i medycznych. W artykule przedstawiono historię tej techniki, opisano główne metody i narzędzia oraz pokazano szereg przykładów zastosowania.
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Pyrrole azocrown ethers - synthesis, crystal structures, and fluorescence properties
PublicationZsyntezowano nowe związki makrocykliczne zawierające w makropierścieniu pierścień pirolowy, grupy azowe oraz reszty chromoforowe i fluorescencyjne. Scharakteryzowano strukturę krystaliczną dwóch spośród otrzymanych makrocykli metodą rentgenografii strukturalnej. Stwierdzono, że zaprezentowane pirolowe azokorony to związki czułe i selektywne na jony ołowiu(II) oraz, że mogą być użyte jako chemosensory zarówno w spektroskopii UV-Vis,...
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Modulated crystal structures - periodicity in more than three dimensions
PublicationThe initial definition of a crystal was that it is an object with flat faces. When diffraction studies were developed it turned out that crystal consists of a highly ordered particles and it is possible to isolate a small unique part of their structure - a unit cell - and the definition has been changed to rely on this fact. Nowadays by a crystal we mean any solid having an essentially discrete diffraction diagram. It is because...
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Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublicationThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
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Liquid crystal thermography and true-colour digital image processing
PublicationAutorzy opisali własne wieloletnie doświadczenia z badań wymiany ciepła, w których wykorzystali termochromatyczne ciekłe kryształy. Obejmowały one badania przepływów w kanałach o różnorakiej konfiguracji, badania w przestrzeniach zamkniętych oraz podczas zmiany stanu skupienia badanego płynu.
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Imaging polarimeter with high-accuracy measuring principles in crystal optics
PublicationAn imaging polarimeter based on the principles of high-accuracy polarimetry well known in crystal optics is proposed. The application of scientific digital cameras for performance light measurements leads to precise data on polarizers quality, i.e., maps of extinction ratio and transmission axis. Processing of numerous images, acquired at various settings in the polarizer-sample-analyser system, allows to determine the two-dimensional...
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Liquid crystal display unit for reconfigurable instrument for automotive applications
PublicationRozwój elektronicznych systemów w samochodach (radio, nawigacja, monitorowanie stanu pojazdu, telefon, GPS, itd.) stwarza potrzebę opracowania uniwersalnych i wysoko sprawnych systemów wizualizacji informacji dla kierowcy i pasażerów samochodu. Prezentacja informacji powinna następować z minimalnym zakłóceniem uwagi kierowcy i hierarchiczną klasyfikacją jej priorytetów. Poszukiwanie optymalnych rozwiązań systemów wizualizacji informacji...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide
PublicationDsb proteins control the formation and rearrangement of disulfide bonds during the folding of secreted and membrane proteins in bacteria. DsbG, a member of this family, has disulfide bond isomerase and chaperone activity. Here, we present two crystal structures of DsbG at 1.7- and 2.0-Angstrom resolution that are meant to represent the reduced and oxidized forms, respectively. The oxidized structure, however, reveals a mixture...
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Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublicationWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
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COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
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A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods
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Małgorzata Szczerska prof. dr hab. inż.
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Crystal growth and the influence of oxygen stoichiometry on electrical resistivity of single crystals
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Heat transfer and fluid flow visualization using liquid crystal thermography
PublicationW pracy przedstawiono możliwości wykrzystania termografii ciekłokrystalicznej do badań wymiany ciepła oraz wizualizacji pola przepływu w elementach urządzeń przemysłowych.
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High pressure and time resolved luminescence spectra of Gd3Ga5O12:Pr3+ crystal
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Influence of high hydrostatic pressure on Eu2+-luminescence in KMgF3:Eu2+ crystal
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Crystal structure and physical properties of a novel ternary compound La15Mo Ge9
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Analysis of experimental and simulated vibrational spectra for the antiferroelectric liquid crystal 12OBBB1M6
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PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects
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Soliton trapping and orthogonal Raman scattering in a birefringent photonic crystal fiber
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The use of liquid crystal thermography for heat, fluid flow and biomedical research.
PublicationW ostatniej dekadzie termografia ciekłokrystaliczna (TLC) i cyfrowa analiza kolorowych obrazów była z powodzeniem stosowana w różnych aplikacjach technicznych, przemysłowych i biomedycznych. Cienkie warstwy ciekłokrystaliczne zastosowano dla uzyskania lokalnych pól temperatury, współczynników przekazywania ciepła i określenia rodzaju procesu. Materiał ciekłokrystaliczny można również zastosować do wizualizacji pól temperatury i...
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublicationCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Improved liquid crystal thermography by use true-colour imageprocessing technology
PublicationRozdział zawiera opis zastosowania termochromatycznych ciekłych kryształóworaz komputerowej analizy kolorowych obrazów w badanich wymiany ciepła. Au-torzy przedstawili wykorzystanie techniki ciekłokrystalicznej w badaniachgeometrii klasycznych wymienników ciepła.