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Search results for: empirical potentials
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Antiplasmodial Activity of Nitroaromatic and Quinoidal Compounds: Redox Potential vs Inhibition of Erythrocyte Glutathione Reductase
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A new potential mode of cardiorenal protection of KLOTHO gene variability in type 1 diabetic adolescents
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Double layer adhesive silicone dressing as a potential dermal drug delivery film in scar treatment
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A Holistic Approach to Determining Stereochemistry of Potential Pharmaceuticals by Circular Dichroism with β-Lactams as Test Cases
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ICTP concentration in cervical-vaginal fluid as a potential marker of membrane collagen degradation before labor
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Changes in the Mechanical Properties of Alginate-Gelatin Hydrogels with the Addition of Pygeum africanum with Potential Application in Urology
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Silver Nanoparticles as Chlorhexidine and Metronidazole Drug Delivery Platforms: Their Potential Use in Treating Periodontitis [Corrigendum]
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Renoprotective and Cardioprotective Potential of Moricandia sinaica (Boiss.) against Carbon Tetrachloride-Induced Toxicity in Rats
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Potential and strain rate impact on the electrochemical properties of 304L stainless steel under tensile stresses.
PublicationPraca skupia się na badaniach aspektu elektrochemicznego i mechanicznego pękania warstwy pasywnej obecnej na stali 304L. Przedstawione zostały wyniki chwilowych zmian impedancji oraz zmiany parametrów elektrochemicznych warstwy pasywnej podczas testów rozciągania przy różnych poziomach polaryzacji anodowej oraz szybkości rozciągania. Na ich podstawie można stwierdzić, że zarówno czynnik elektrochemiczny, jak i mechaniczny wpływają...
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Muramyl dipeptide-based analogs as potential anticancer compounds: Strategies to improve selectivity, biocompatibility, and efficiency
PublicationAccording to the WHO, cancer is the second leading cause of death in the world. This is an important global problem and a major challenge for researchers who have been trying to find an effective anticancer therapy. A large number of newly discovered compounds do not exert selective cytotoxic activity against tumorigenic cells and have too many side effects. Therefore, research on muramyl dipeptide (MDP) analogs has attracted interest...
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The biological role of prolyl oligopeptidase and the procognitive potential of its peptidic inhibitors from food proteins
PublicationProlyl oligopeptidase (POP) is a conserved serine protease belonging to proline-specific peptidases. It has both enzymatic and non-enzymatic activity and is involved in numerous biological processes in the human body, playing a role in e.g., cellular growth and differentiation, inflammation, as well as the development of some neurodegenerative and neuropsychiatric disorders. This article describes the physiological and pathological...
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Can bottom sediments be a prospective fertilizing material? A chemical composition analysis for potential reuse in agriculture.
PublicationEvery year huge amounts of bottom sediments are extracted worldwide, which need to be dis-posed. The recycling of bottom sediments for soil fertilization is in line with the long-promoted circular economy policy and enables the use of micro and macronutrients accumulated in sedi-ments for soil fertilization. When considering potential agricultural reuse of the dredge sediments, the first necessary step should be to analyze whether...
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More than just a beer—the potential applications of by-products from beer manufacturing in polymer technology
PublicationBeer is the most popular alcoholic beverage in the world, and its popularity is continuously growing. Currently, global beer production is estimated at around 2 billion hectoliters. Nevertheless, the increasing production capacity implicates the rising issue of generated by-products—brewers’ spent grain, spent hops, spent yeast, and wastewater. They are generated in massive amounts, so having in mind the current pro-ecological...
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Investigation of the antimicrobial potential and microbiota of bee pollen and bee bread derived from Polish apiaries
PublicationThe phenomenon of resistance of microorganisms to antibiotics is becoming one of the greatest challenges of modern medicine. At the same time, the number of new antibiotics introduced into clinical practice is decreasing. This creates the need to search for new, effective, non-antibiotic methods of combating and preventing infectious diseases. Over the last two decades, there has been renewed interest in the antimicrobial potential...
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Harmonic analysis of the current of an electric system simulating the electrode process in conditions of linearly changing potential
PublicationAnalizowany był prąd elektrycznego modelu symulującego pierwszorzędową reakcję elektrodową zachodzącą w warunkach liniowo zmieniającego się potencjału z nałożonym sygnałem sinusoidalnym. Pokazano, że transformacja Fouriera nie odzwierciedla zmian amplitudy składowych komponentów w funkcji potencjału. Także matematycznie wykazano, że zastosowanie transformacji Gabora do analizy spektralnej pozwala uzyskać poprawną dekompozycję częstotliwościową....
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Impact of inorganic ions and pH variations on toxicity and endocrine potential of selected environmentally relevant pharmaceuticals
PublicationAssessment of the impact of pharmaceutical residues on living organisms is a very complex subject. Apart from taking into account the toxicity of individual compounds, environmental factors should also be taken into account. In this paper, attempts were made to assess the impact of coexisting inorganic ions and changes in pH on the toxicity of ten selected pharmaceuticals. Two bioassays were used to measure the estrogenic and androgenic...
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Modeling and MANOVA studies on toxicity and endocrine potential of packaging materials exposed to different extraction schemes
PublicationThe stability of the linings of packaging that is in contact with the goods stored has been of major concern during decades of the development of packaging materials. In this work, an attempt was undertaken to assess the applicability of using two bioassays (Microtox® and XenoScreen YES/YAS) in estimating the stability of packaging (cans, caps, multilayer material) and the impact of their degradation on the toxicity of some simulated media....
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Low-Coherence Interferometer with Nanocrystalline Diamond Films with Potential Application to Measure Small Biological Samples
PublicationThe study investigates a case of a low-coherence fiber-optic Fabry–Prerot interferometer with a nanocrystalline diamond (NCD) mirror. The method of achieving double density of interference fringes is proposed by the application of birefringent material in the cavity of the interferometer. It can be used to reduce sample volume in comparison to conventional interferometers. The use of a biocompatible diamond mirror makes it specifically...
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Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts
PublicationFood packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) that imitate several basic conditions of the process of food production. The extracts were studied for their ecotoxicity with bioluminescent...
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublicationReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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A comprehensive evaluation of flexible FDM/FFF 3D printing filament as a potential material in medical application
PublicationThe use of FDM/FFF in 3D printing for medical sciences is becoming common. This is due to the high availability and decent price of both 3D printers and filaments useful for FDM/FFF. Currently, researchers' attention is focused mainly on the study of medical filaments based on PLA, PCL or their modifications. This contributes to insufficient diversity of medical-grade filaments on the market. Moreover, due to the lack of specified...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Opioid Growth Factor and its Derivatives as Potential Non-toxic Multifunctional Anticancer and Analgesic Compounds
PublicationIn this paper, we review the structure-activity relationship of OGF and its analogues. We highlight also OGF derivatives with analgesic, immunomodulatory activity and the ability to penetrate the blood-brain barrier and may be used as safe agents enhancing chemotherapy efficacy and improving quality of life in cancer patients. The reviewed papers indicate that Met-enkephalin and its analogues are interesting candidates for the...
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The effects of offshoring to low-wage countries on domestic wages: a worldwide industrial analysis
PublicationThis paper extends the literature on the implications of offshoring for labour markets by investigating its effect on the wages of different skill groups in a broad global context. The analysis draws on input–output data from the WIOD project, and in the panel analysed (13 manufacturing industries, 40 countries, 1995–2009) we account for up to 96 % of the international trade in manufacturing inputs. Being particularly interested...
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Functionalization of the transition metal oxides FeO, CoO, and NiO with alkali metal atoms decreases their ionization potentials by 3–5 eV
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In vitro enzyme inhibitory properties, antioxidant activities, and phytochemical profile of Potentilla thuringiaca
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Variation in Total Polyphenolics Contents of Aerial Parts of Potentilla Species and Their Anticariogenic Activity
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In vitro anticariogenic effects of aerial parts of Potentilla recta and its phytochemical profile
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Photophysical properties and photocytotoxicity of novel phthalocyanines – potentially useful for their application in photodynamic therapy
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New Dinuclear Macrocyclic Copper(II) Complexes as Potentially Fluorescent and Magnetic Materials
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New Perspectives for the Use of Potentilla alba Rhizomes to Treat Thyroid Gland Impairments
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LC-ESI-MS profiling of Potentilla norvegica and evaluation of its biological activities
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Phytoavailability of potentially toxic elements from industrially contaminated soils to wild grass
PublicationTopsoil and grass samples from 14 sites located in different distances from three copper mining factories and a copper smelter were collected in Srednogorie, Bulgaria. The paper discusses results of studies on the mobility of potentially toxic elements (As, Cd, Cr, Cu, Mn, Ni, Pb, Zn) from contaminated soils to wild grass Cynodon dactylon in terms of transfer (TF: soil to plant) and phytoavailability (PF: EDTA (ethylenediaminetetraacetic...
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Arctic Freshwater Environment Altered by the Accumulation of Commonly Determined and Potentially New POPs
PublicationChemical composition of Arctic freshwater ecosystems depends on several factors. They include characteristics of the surrounding landscape, its lithology, geomorphology, vegetation, and hydrological features, as well as accumulation of anthropogenic pollution. In the Arctic, the problem of environmental contamination is widespread. That is why research on lakes and river catch-ments in terms of their chemical composition has enjoyed...
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublicationResearch on inhibition of tyrosinase enzyme has attained significant value, because tyrosinase inhibitors have potential applications in medicine, cosmetics (as whitening agents) and in agriculture (as bioinsecticides). Determination and elucidation of new tyrosinase inhibitors are not only beneficial for medical purposes, but their promising applications in improving food quality and nutritional...
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Structure–Activity Relationships and Therapeutic Applications of Retinoids in View of Potential Benefits from Drug Repurposing Process
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Phytochemical analysis of Brasolia, Elleanthus, and Sobralia. Three genera of orchids with antibacterial potential against Staphylococcus aureus
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The comparative study of micellar TLC and RP-TLC as potential tools for lipophilicity assessment based on QSRR approach
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The Potential Mechanism of Tiliroside-Dependent Inhibition of t-Butylhydroperoxide-Induced Oxidative Stress in Endometrial Carcinoma Cells
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Analysis of mixing rules for the Stillinger-Weber potential: a case study of Ge-Si interactions in the liquid phase
PublicationCiekły stop Ge_{0.25}Si_{0.75} symulowano metodą dynamiki molekularnej, przy użyciu potencjału Stillingera-Webera. Badano wpływ parametryzacji członu potencjału odpowiedzialnego za oddziaływania trójciałowe w trójkach nieidentycznych atomów na strukturę symulowanego stopu. Wpływ ten okazał się być znaczący.Zmiany w parametrach rzędu kilku procent skutkowały istotnymi różnicami w parowych funkcjach rozkładu, kątowych funkcjach rozkładu...
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Sporothrix schenckii: purification and partial biochemical characterisation of glucosamine-6-phosphate synthase, a potential antifungal target
PublicationW artykule opisano izolację i charakterystykę właściwości natywnego enzymu, syntazy GlcN-6-P z komórek dimorficznego grzyba patogennego Sporothrix schenckii. Masę cząsteczkową enzymu natywnego określono na 350 kDa, a enzymu zdenaturowanego na około 79 kDa, co sugeruje homotetrameryczną strukturę białka. Wartość punktu izoelektrycznego wyniosła 6,26; wyznaczono także parametry kinetyczne katalizowanej reakcji. Aktywność enzymu była...
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Identification of organic acids as potential biomarkers in the urine of autistic children using gas chromatography/mass spectrometry
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Immunoscore, circulating tumor cells and human-derived organoids as potential predictive tools in personalized cancer medicine
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Potential of bacteriocins from lab to improve microbial quality of dry-cured and fermented meat products [pdf]
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Applications of Cannabis Sativa L. in Food and Its Therapeutic Potential: From a Prohibited Drug to a Nutritional Supplement
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Phthalocyanine Derivatives Possessing 2-(Morpholin-4-yl)ethoxy Groups As Potential Agents for Photodynamic Therapy
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A Potential Relationship Between Estrogen Receptors Polymorphisms, Sperm Function and in vitro Fertilization Success: A Preliminary Study*
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Dendrimeric Sulfanyl Porphyrazines: Synthesis, Physico-Chemical Characterization, and Biological Activity for Potential Applications in Photodynamic Therapy
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Synthesis of 2-amino-2,6-dideoxy-D-glucitol-6-sulfonic acid as a potential antifungal agent.
PublicationGlucosamine-6P (GlcN-6P) synthase catalyzes the first committed step in the biosynthetic pathway leading to the formation of UDP-GlcNAc, a sugar nucleotide precursor providing D-glucosamine for the formation of chitin and manoproteins. 2-Amino-2,6-dideoxy-D-glucitol-6-sulfonic acid is an analog of 2-amino-2-deoxy-D-glucitol 6-phosphate (GlcN-ol-6-P), a known inhibitor of GlcN-6-P synthase, in which the phosphate group of the latter...
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[18F]Amylovis as a Potential PET Probe for β-Amyloid Plaque: Synthesis, In Silico, In vitro and In vivo Evaluations
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