Wyszukiwarka
Wyniki wyszukiwania dla: SCREENING
-
Virtual screening for small molecular non-covalent binders of the SARS-CoV-2 main protease
Publikacja -
In Vitro Screening for Anti-Acetylcholinesterase and Antioxidant Activities of Hottonia palustris L. Extracts and Their Unusual Flavonoids
Publikacja -
People with diabetes need a lower cut-off than others for depression screening with PHQ-9
Publikacja -
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...
-
QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues
Publikacja -
Electrochemical screening of genoprotective and antioxidative effectiveness of Origanum vulgare L. and its functionality in the prevention of neurodegenerative disorders
Publikacja -
Direct Screening ofWater Samples for Benzene Hydrocarbon Compounds by Headspace Liquid-Phase Microextraction--Gas Chromatography
Publikacja -
Direct screening of ground water samples for fuel oxygenates by headspace liquid phase microextraction–gas chromatography
Publikacja -
Macroscopic Evaluation of Gastric Specimens After Laparoscopic Sleeve Gastrectomy—an Optimum Screening Test for Incidental Pathologies?
Publikacja -
Panel of serum metabolites discriminates cancer patients and healthy participants of lung cancer screening - a pilot study
Publikacja -
PUB073 Lung Cancer Screening with LDCT – Results of a Small Cohort Continual Monitoring (Pilot Silesian Study)
Publikacja -
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...
-
Screening evaluation of the quality of commercially available cigars, cigarillos, and bidis based on emission levels of selected terpenes and terpenoids
PublikacjaThe aim of the research was to verify the use of the solvent-free, non-destructive and easy to operate analytical method to study and compare the emissions of 16 representatives of terpenes and terpenoids from commercially available cigars, cigarillos and bidis − a potential screening analysis for the quality of combustible tobacco products. To assess the amount of organic compounds emitted to the gaseous phase from investigated...
-
Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
Publikacja -
Cut-off points for Polish-language versions of depression screening tools among patients with Type 2 diabetes
Publikacja -
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,...
-
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...
-
Sustainable Livestock Production: Screening Analysis and Pilot Implementation of a Biofilm in Piggery Biofilters for Mitigation of Ammonia and Hydrogen Sulfide Emissions
Publikacja -
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...
-
Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublikacjaDicarboxylic 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....
-
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...
-
Screening of potential inhibitors for COVID-19 main protease from phytoconstituents of Tectona grandis Linn: application of molecular modeling studies
Publikacja -
Comparison of Headspace Solid-phase Microextraction, Headspace Single-drop Microextraction and Hydrodistillation for Chemical Screening of Volatiles in Myrtus Communis L
Publikacja -
Substrate profiling of Finegoldia magna SufA protease, inhibitor screening and application to prevent human fibrinogen degradation and bacteria growth in vitro
Publikacja -
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...
-
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...
-
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...
-
A label-free graphene-based impedimetric biosensor for real-time tracing of the cytokine storm in blood serum; suitable for screening COVID-19 patients
Publikacja -
Screening of 17α-ethynylestradiol and non-steroidal anti-inflammatory pharmaceuticals accumulation in Mytilus edulis trossulus (Gould, 1890) collected from the Gulf of Gdańsk
Publikacja -
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.
-
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.
-
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)
Publikacja -
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
PublikacjaBadania 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...
-
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
PublikacjaPolybrominated 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...
-
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
PublikacjaThe 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...
-
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
Czasopisma -
An MTA-phosphorylase gene discovered in the metagenomic library derived from Antarctic top soil during screening for lipolytic active clones confers strong pink fluorescence in the presence of rhodamine B.
PublikacjaIn this work, we present the construction of a metagenomic library in Escherichiacoli using the pUC19 vector and environmental DNA directly isolated fromAntarctic topsoil and screened for lipolytic enzymes. Unexpectedly, the screeningon agar supplemented with olive oil and rhodamine B revealed one unusual pinkfluorescent clone (PINKuv) out of 85 000 clones. This clone harbored a plasmid,pPINKuv, which has an insert of 8317 bp that...
-
Artificial Neural Networks for Prediction of Antibacterial Activity in Series of Imidazole Derivatives
Publikacja -
Advanced Assessment of the Endogenous Hormone Level as a Potential Biomarker of the Urogenital Tract Cancer
Publikacja -
High-throughput Evaluation of Lipophilicity and Acidity by New Gradient HPLC Methods
Publikacja -
The Osteopontin Tissue Level as a Breast Cancer Biomarker in Females After Mastectomy Measured by the Capillary Gel Electrophoresis Technique
Publikacja -
Selection of New Chromogenic Substrates of Serine Proteinases Using Combinatorial Chemistry Methods
Publikacja -
The Comparison Between the Calculated and HPLC-Predicted Lipophilicity Parameters for Selected Groups of Drugs
Publikacja -
Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
Publikacja -
Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
Publikacja -
Ahmer Bin Hafeez
OsobyI have experience in Computational Biology, particularly bioinformatics, homology modeling, phylogenetics, structural biology, and drug discovery. Furthermore, I have hands-on experience with Bioinformatics software. Currently, my interest lies in translatable omics studies and drug discovery against novel protein targets involved in cancer and infectious diseases and Host-Pathogen PPIs. My aim involves the use of computational...
-
An assessment of health status and health behaviours in adolescents: main points and methods of the SOPKARD-Junior programme.
PublikacjaThe study involved preparing and implementing a model of screening assessments for adolescents and comparison of anthropometric examinations between the population of the SOPKARD-Junior programme and representative sample of Polish children in the same years.Additionally, data concerning attendance rates for particular examinations carried out under SOPKARD-Junior programme were presented.Revier2,comment 1
-
Analysis of degaussing process of ferromagnetic objects
PublikacjaResults of the analytical and numerical analysis of the degaussing process phenomena of ferromagnetic objects were presented in this paper. The screening effectiveness of the electromagnetic field of magnetic screens in most cases depends on thickness, conductivity, magnetic permeability of the screen and angular frequency of degaussing currents. The magnetic field inside thin-layer ferromagnetic object was presented in this paper....
-
Determination of the effective concentration of oxyteracycline solutions on the inhibition of bioluminescence of Vibrio fischeri (Microtox)
Dane BadawczeIn this study an attempt was made to determine the effective concentration for oxytetracycline solutions on the inhibition of bioluminescence of Vibrio fischeri (Microtox).
-
Removal of Siloxanes from Model Biogas by Means of Deep Eutectic Solvents in Absorption Process
PublikacjaThe paper presents the screening of 20 deep eutectic solvents (DESs) composed of tetrapropylammonium bromide (TPABr) and glycols in various molar ratios, and 6 conventional solvents as absorbents for removal of siloxanes from model biogas stream. The screening was achieved using the conductor-like screening model for real solvents (COSMO-RS) based on the comparison of siloxane solubility in DESs. For the DES which was characterized...