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Wyniki wyszukiwania dla: Cocrystal Screening
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublikacjaApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Panel of serum metabolites discriminates cancer patients and healthy participants of lung cancer screening - a pilot study
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Macroscopic Evaluation of Gastric Specimens After Laparoscopic Sleeve Gastrectomy—an Optimum Screening Test for Incidental Pathologies?
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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublikacjaThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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PUB073 Lung Cancer Screening with LDCT – Results of a Small Cohort Continual Monitoring (Pilot Silesian Study)
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Wykorzystanie przesiewowej analityki specjacyjnej w badaniach środowiska. Application of screening speciation analytics in environmental studies
PublikacjaPodstawowym zadaniem, jakie stoi od dawna przed analitykami, jest udzielenie odpowiedzi na pytanie dotyczące zawartości danego pierwiastka w badanych próbkach (woda, powietrze, gleba). W chwili obecnej taka informacja zazwyczaj jest niewystarczająca. Ze względu na różną toksyczność poszczególnych indywiduów chemicznych staje się konieczne oznaczanie form, w jakich dany pierwiastek występuje w środowisku. Dlatego szczególną rolę...
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QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues
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Electrochemical screening of genoprotective and antioxidative effectiveness of Origanum vulgare L. and its functionality in the prevention of neurodegenerative disorders
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Direct Screening ofWater Samples for Benzene Hydrocarbon Compounds by Headspace Liquid-Phase Microextraction--Gas Chromatography
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Direct screening of ground water samples for fuel oxygenates by headspace liquid phase microextraction–gas chromatography
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Cut-off points for Polish-language versions of depression screening tools among patients with Type 2 diabetes
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Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
PublikacjaTheophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally...
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Identification of novel halogenated naturally occurring compounds in marine biota by high-resolution mass spectrometry and combined screening approaches
PublikacjaMarine animals, plants or bacteria are a source of bioactive naturally-occurring halogenated compounds (NHCs) such as bromophenols (BPs), bromoanisoles (BAs) and hydroxylated or methoxylated analogues of polybrominated diphenyl ethers (HO-PBDEs, MeO-PBDEs) and bromobiphenyls (HO-BBs, MeO-BBs). This study applied a comprehensive screening approach using liquid chromatography high-resolution mass spectrometry and combining target,...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublikacjaThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Variational Method of Finding Streamlines in Ring Cascades for Creeping Flows
PublikacjaThis paper presents a new, analytical method of finding streamlinesfor creeping flows inside a ring cascade which is composed of an infinite number of infinitely thin blades. An analytical solution has been obtained through minimisation of a dissipation functional by means of variational calculus method. The necessary condition for optimum of a functional gives the Stokes equation if some additional assumptions are introduced....
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Small-scale passive emission chamber for screening studies on monoterpene emission flux from the surface of wood-based indoor elements
PublikacjaAnalysis of literature data published in the last fewyears leads to the conclusion that in the process of assessment of emission flux of organic compounds emitted from different types of equipment and finishing materials, new types of devices, among which small-scale passive emission chambers for the performance of in-situ research are designed and applied on a larger scale. These devices can be successfully used for the assessment...
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Screening of potential inhibitors for COVID-19 main protease from phytoconstituents of Tectona grandis Linn: application of molecular modeling studies
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Maximizing Bio-Hydrogen and Energy Yields Obtained in a Self-Fermented Anaerobic Bioreactor by Screening of Different Sewage Sludge Pretreatment Methods
PublikacjaEgypt faces significant challenges in managing its sewage sludge generated in large quantities from wastewater treatment plants. This study investigates the feasibility of utilizing sewage sludge as a renewable resource for hydrogen production through anaerobic digestion at the 100 L bioreactor level. Hydrogen is considered a promising alternative energy source due to its high energy content and environmental benefits. To optimize...
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Substrate profiling of Finegoldia magna SufA protease, inhibitor screening and application to prevent human fibrinogen degradation and bacteria growth in vitro
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Comparison of Headspace Solid-phase Microextraction, Headspace Single-drop Microextraction and Hydrodistillation for Chemical Screening of Volatiles in Myrtus Communis L
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The use of HPLC-Q-TOF-MS for comprehensive screening of drugs and psychoactive substances in hair samples and several “legal highs” products
PublikacjaNon-targeted screening of drugs present in herbal products, known as “legal high” drugs and in hair as a biological matrix commonly used in toxicological investigations was accomplished with the use of high pressure liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). In total, 25 and 14 therapeutical drugs and psychoactive substances/metabolites were detected in investigated hair samples...
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Crystal structure and electronic structure of CePt2In7
PublikacjaWe 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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Liquid crystal thermography experimental application
PublikacjaPraca przedstawia wykorzystanie termografii ciekłokrystalicznej do badania zjawisk wymiany ciepła z zastosowaniem metod stanu ustalonego i przejściowej.
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Crystal growth of CsCl-type Yb0.24Sn0.76Ru
PublikacjaWzrost kryształów o stechiometrii Yb0.24Sn0.76Ru został przeprowadzony metodą topnikową. Kryształy poddano badaniom dyfrakcyjnym a także mikroskopii elektornowej. Yb0.24Sn0.76Ru krystalizuje w sześciennej strukturze typu chlorku cezu (CsCl).
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Ultrasonic spectroscopy of silicon single crystal
PublikacjaSpecimens of Si single crystals with different crystal orientation [100] and [110] were studied by the electro-ultrasonic spectroscopy (EUS) and Resonant Ultrasonic Spectroscopy (RUS). A silicon single crystal is an anisotropic crystal, so its properties are different in different directions in the material relative to the crystal orientation. EUS is based on interaction of two signals: electric AC signal and ultrasonic signal,...
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Crystal growth of CsCl-type Yb0.24Sn0.76Ru
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Validated HPTLC method for determination of ledol and alloaromadendrene in the essential oil fractions of Rhododendron tomentosum plants and in vitro cultures and bioautography for their activity screening
PublikacjaRhododendron tomentosum (Ledum palustre) is a bog shrub used in traditional medicine for treatment of respiratory and rheumatic diseases. Due to the large variability of the chemical composition of its essential oil, depending on the habitat, the in vitro cultures were established as the alternative source of the volatile fraction. There is a need to monitor a quality of the field grown as well as in vitro plant material, especially...
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublikacjaThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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Screening of 17α-ethynylestradiol and non-steroidal anti-inflammatory pharmaceuticals accumulation in Mytilus edulis trossulus (Gould, 1890) collected from the Gulf of Gdańsk
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A label-free graphene-based impedimetric biosensor for real-time tracing of the cytokine storm in blood serum; suitable for screening COVID-19 patients
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Cancer stem cells in drug resistance and drug screening: can we exploit the cancer stem cell paradigm in search for new antitumor agents?
PublikacjaPraca przedstawia przegląd literatury dotyczącej hipotezy komórek pierwotnych nowotworu, w szczególności w ich oporności na istniejące terapie. Dyskutowane jest także zagadnienie możliwości wykorzystania wiedzy o tych komórkach do konstrukcji nowych testów do badań przesiewowych in vitro w celu poszukiwania nowych leków przeciwnowotworowych.
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Synthesis, single crystal growth and properties of Sr5Pb3ZnO12
PublikacjaAbstract The novel Sr5Pb3ZnO12 oxide was synthesized by the solid-state reaction method. The crystal structure was studied by means of the powder x-ray diffraction Rietveld method and was found to be similar to 3 other previously known Sr5Pb3MO12 compounds (M = Co, Ni, Cu). Crystals of several hundred microns in size of the new phase were grown in molten sodium chloride and imaged using confocal optical and scanning electron microscopy....
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Application of the electrochemical quartz crystal microbalance in corrosionstudies
PublikacjaPrzegląd niniejszy opisuje zastosowania elektrochemicznej wagi kwarcowej (EQCM) w badaniach korozyjnych. Przedstawione zostały dwa główne obszary badań. Jeśli chodzi o badania mechanizmów korozji, mikrowaga elektrochemiczna była wykorzystywana jako narzędzie do testowania korozji miedzi, niklu, cynku, aluminium i stopów. Była użyteczna w określaniu mechanizmów roztwarzania albo pasywacji w różnych warunkach. Drugim kierunkiem wykorzystania...
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Heat transfer augmentation using liquid crystal
PublikacjaPraca 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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Analysis of a high-quality photonic crystal resonator
PublikacjaArtykuł przedstawia kompleksową analizę rezonatora 2D o wysokiej dobroci uzyskanego dzięki zastosowaniu fotonicznych kryształów. Struktura rezonatora została zoptymalizowana w celu osiągnięcia maksymalnej dobroci. Analiza została wykonana przy pomocy metody FDTD z zaimplementowanymi makromodelami, a wyniki poddano następnie obróbce cyfrowej w oparciu o technikę GPOF. Taka kombinacja zastosowanych metod okazała się bardzo efektywna...
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New Eu2 +sites in KMgF3:Eu2 +crystal
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Low temperature luminescence of KMgF3:Eu2+ crystal
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Optical rotation in the lithium triborate nonlinear crystal
PublikacjaA dual-wavelength polarimetric technique at 633 and 661 nm has been used for the characterization of a nonlinear lithium triborate (LiB3O5) nonenantiomorphous biaxial crystal. The mismatch of the crystallographic and optical coordinate systems was taken into account. The optical rotatory power for light propagation along one of the optical axes is ρ = 7.06° mm−1. The gyration tensor component along the bisector between the x and...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublikacjaThe 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
PublikacjaNew 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
PublikacjaZe 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
PublikacjaCooperation 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
PublikacjaCocrystals 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
PublikacjaDue 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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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 Facet Engineering of TiO2 from Theory to Application
PublikacjaRecently, 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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Electronic structure and physical properties of EuAuAs single crystal
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