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Search results for: Cocrystal Screening
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Studies on the orientation effect of crystallites and its application to cocrystal screening of selected pharmacologically active compounds
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Lung cancer survival and comorbidities in lung cancer screening participants of the Gdańsk screening cohort
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Rapid Screening of Antimicrobial Synthetic Peptides
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New fast photomultipliers with a screening grid at the anode
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Radiomics and artificial intelligence in lung cancer screening
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In vitro screening of 65 mycotoxins for insecticidal potential
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Screening of volatile organic compounds as a source for indoor pollution
PublicationLotne związki organiczne (VOC) stanowią jedne z istotniejszychzanieczyszczeń powietrza wewnętrznego, ich stężenia w powietrzu wewnętrznym są często kilkakrotnie wyższe niż odpowiadające im stężenia w powietrzu zewnętrznym. Ten niekorzystny stosunek stężeń wskazuje na obecność endogennych źródeł emisji (usytuowanych bezpośrednio wewnątrz budynków). Lotne związki organiczne uwalniane są do powietrza wewnętrznego z wielu kontrolowanych...
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Newborn screening and gene therapy in SMA: Challenges related to vaccinations
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Screening for Antagonistic Yeasts to Manage Alternaria spp. in Organic Farming
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublicationSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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A Rapid and Simple Method for Screening Microorganisms with a Potential for Catechol Biodegradation
PublicationCatechol is a highly toxic compound that is also a key intermediate in biodegradation pathways of various aromatic compounds. In this paper, a new screening method for isolation of microorganisms with the potential for catechol biodegradation is reported. The method described is based on the ability of catechol to form a color complex with Fe3+ ions. For this purpose, basal medium that is widely used for classification of microorganisms...
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The 2:1 cocrystal of benzamide and pentafluororbenzoic acid
PublicationKrystaliczna struktura centrosymetrycznej supermolekuły składa się z czterech cząsteczek benzamidu oraz dwóch kwasu karboksylowego, które powiązane są ze sobą za pomocą wiązań wodorowych typu O-H...O oraz N-H...O.
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The use of fosmid metagenomic libraries in preliminary screening for various biological activities
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Bacterial luminescence test screening of highly polluted areas in the Odra River
PublicationW pracy przedstawiono wyniki badania ekotoksyczności wód i osadów z dorzecza Odry w obrazie testu z zastosowaniem bakterii Vibrio Fischerii. Badania przesiewowe wskazują, że silnie zanieczyszczone są miejsca w okolicy Brzegu Dolnego, ujścia Nysy Kłodzkiej i Małej Panwi.
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In Vitro Toxicological Screening of Stable and Senescing Cultures of Aphanizomenon, Planktothrix, and Raphidiopsis
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Screening of protozoan and microsporidian parasites in feces of great cormorant (Phalacrocorax carbo)
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Polyphasic toxicological screening of Cylindrospermopsis raciborskii and Aphanizomenon gracile isolated in Poland
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Screening of antimicrobial activity of aqueous extracts of selected Potentilla L. species
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Deep learning for ultra-fast and high precision screening of energy materials
PublicationSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Experimental and theoretical solubility advantage screening of bi-component solid curcumin formulations
PublicationA comprehensive experimental and theoretical screening was performed for identification of curcumin solubilizers. Experimental data led to formulation of a non-linear QSPR model correlating molecular descriptors with measured solubilities. The majority of synthesized binary systems exhibited a moderate enhancement of curcumin solubility, which was found to be the highest in the case of curcumin cocrystallized with pyrogallol. New...
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The impact of the Polish mass breast cancer screening program on prognosis in the Pomeranian Province
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A personalised approach to prostate cancer screening based on genotyping of risk founder alleles
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Application for novel electrochemical screening of antioxidant potential and phytochemicals in Cornus mas extracts
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Screening of Microorganisms for Biodegradation of Simazine Pollution (Obsolete Pesticide Azotop 50 WP)
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Validation of the Polish version of WHO-5 as a screening instrument for depression in adults with diabetes
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Risk factors assessment and risk prediction models in lung cancer screening candidates
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A Multi Rig Screening Test for Thin Ceramic Coatings in Bio-Tribological Applications
PublicationZaprezentowano metodę badań ogólnej charakterystyki tribologicznej cienkich powłok ceramicznych z wykorzystaniem równoległych testów na wielu stanowiskach o różnej konfiguracji styku powierzchni trących i przy ruchu o różnym charakterze (jednokierunkowym i posuwisto zwrotnym). Przedstawiono wyniki porównania przy pomocy jednoczesnej analizy wyników testów z różnych stanowisk; w wyniku testów uzyskano ranking powłok ze wskazaniem...
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Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
PublicationBeta-glucosidase inhibitors play important medical and biological roles. In this study, simple two-variable artificial neural network (ANN) classification models were developed for beta-glucosidase inhibitors screening. All bioassay data were obtained from the ChEMBL database. The classifiers were generated using 2D molecular descriptors and the data miner tool available in the STATISTICA package (STATISTICA Automated Neural...
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Underdiagnosis of Major Depressive Episodes in Hemodialysis Patients: The Need for Screening and Patient Education.
PublicationThis article aims to identify the reasons why patients with major depressive episode (MDE) do not seek treatment for their mental disorder. 89 out of 208 persons screened were diagnosed with major depressive episode using the Mini-International Neuropsychiatric Interview. 85 individuals with untreated depression filled out the following questionnaires: Beck Depression Inventory, List of Explanations of Well-Being (LEWB), Brief...
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Phytochemical screening and biological evaluation of Greek sage (Salvia fruticosa Mill.) extracts
PublicationThis study explores the influence of extraction solvents on the composition and bioactivity of Salvia fruticosa extracts. Ultrasound-assisted extraction with water, ethanol and their mixtures in variable proportions was used to produce four different extracts. An untargeted UPLC/MS‑based metabolomics was performed to discover metabolites profile variation between the extracts. In the analyzed samples, 2704 features had been detected,...
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A Multi Rig Screening Test for Thin Ceramic Coatings in Bio - Tribological Applications
PublicationA method is presented for the comparative testing of wear resistance of ceramic coatings made from materials potentially feasible in tribo - medical applications, mainly orthopaedic implants made from ceramics coated metals for low cost, long life and low wear particle emission into the body. The method was devised as the main tool for use in research and is comprised of flat on flat and ball on flat surface (sliding) tests. Seven...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublicationNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Colored Tattoo Ink Screening Method with Optical Tissue Phantoms and Raman Spectroscopy
PublicationDue to the increasing popularity of tattoos among the general population, to ensure their safety and quality, there is a need to develop reliable and rapid methods for the analysis of the composition of tattoo inks, both in the ink itself and in already existing tattoos. This paper presents the possibility of using Raman spectroscopy to examine tattoo inks in biological materials. We have developed optical tissue phantoms mimicking...
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A screening of select toxic and essential elements and persistent organic pollutants in the fur of Svalbard reindeer
PublicationReindeers play an important role in the polar ecosystem, being long-lived sole vegetarians feeding on local vegetation. They can be used as a valuable bioindicator, helping us to understand contaminants’ impact on the polar terrestrial ecosystem. Still, scarce data exist from research in which polar herbivores (especially those from the European parts of the Arctic) were a major study subject for trace elements and persistent organic...
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Retrospective assessment of Lung-RADS® performance in the Silesian Lung Cancer Screening Pilot Study
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Screening of predicted synergistic multi-target therapies in glioblastoma identifies new treatment strategies
PublicationAbstract Background IDH-wildtype glioblastoma (GBM) is a highly malignant primary brain tumor with a median survival of 15 months after standard of care, which highlights the need for improved therapy. Personalized combination therapy has shown to be successful in many other tumor types and could be beneficial for GBM patients. Methods We performed the largest drug combination screen to date in GBM, using a high-throughput effort...
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Test Your Memory (TYM) as a screening instrument in clinical practice – the Polish validation study
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Integration of protein tethering in a rapid and label-free SERS screening platform for drugs of abuse
PublicationSurface enhanced Raman spectroscopy (SERS) has emerged as a promising technique for the rapid and ultrasensitive detection of molecular species such as drugs of abuse in biofluids. Yet, it remains a significant challenge to create a viable screening tool for multiple drug classes, owing to the lack of affinity of certain species for the SERS substrate and to the matrix interference in complex media. Here we report a protein tethering...
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Using Convolutional Neural Networks for Corneal Arcus Detection Towards Familial Hypercholesterolemia Screening
PublicationFamilial hypercholesterolemia (FH) is a highly undiagnosed disease. Among FH patients, the onset of premature coronary artery disease is 13 times higher than in the general population. Early diagnosis and treatment is essential to prevent cardiovascular diseases and their complications, and to prolong life. One of the clinical criteria of FH is the occurrence of a corneal arcus (CA) among patients, especially those under 45 years...
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Simple screening technique for determination of adsorbed and absorbed mercury in particulate matter in atmospheric and aquatic environment
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BatchI: Batch effect Identification in high-throughput screening data using a dynamic programming algorithm
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Virtual screening for small molecular non-covalent binders of the SARS-CoV-2 main protease
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In Vitro Screening for Anti-Acetylcholinesterase and Antioxidant Activities of Hottonia palustris L. Extracts and Their Unusual Flavonoids
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People with diabetes need a lower cut-off than others for depression screening with PHQ-9
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Human bone marrow as a tissue in post-mortem identification and determination of psychoactive Substances—Screening methodology
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Serum Metabolite Profiles in Participants of Lung Cancer Screening Study; Comparison of Two Independent Cohorts
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Parasomnias and obstructive sleep apnea syndrome: in search for a parasomnia evaluating tool appropriate for OSAS screening
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