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Search results for: POTENTIAL OF MEAN FORCE
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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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Elementary analysis and energetic potential of the sludge from the Gdynia Dębogórze and Lębork wastewater treatment plants
PublicationThe paper aims to show the results of the elementary analysis of the sewage sludges from wastewater treatment plants in Gdynia Dębogórze and Lębork as well as measurements of the heat of combustion and the calculated calorific values according to regulation PN-93/Z-15008, taking into account water content and the composition of sewage sludge at different utilisation stages. The results presented in this paper are based on the analysis...
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Renoprotective and Cardioprotective Potential of Moricandia sinaica (Boiss.) against Carbon Tetrachloride-Induced Toxicity in Rats
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Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations
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Bioindicative potential of shell abnormalities occurring in the clam Macoma balthica (L.) from the Baltic Sea
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Oil spill response planning tool for estimating the recovery capability of mechanical skimming systems potential
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Potential of bacteriocins from lab to improve microbial quality of dry-cured and fermented meat products
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Silver Nanoparticles as Chlorhexidine and Metronidazole Drug Delivery Platforms: Their Potential Use in Treating Periodontitis [Corrigendum]
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Novel and effective synthesis protocol of AgNPs functionalized using L-cysteine as a potential drug carrier
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Changes in zeta potential of imidazolium ionic liquids modified minerals - Implications for determining mechanism of adsorption
PublicationW celu wyjaśnienia mechanizmu adsorpcji imidazoliowych cieczy jonowych na glebach zbadane zostałych oddziaływania szeregu homologów imidazoliowych z frakcją mineralną gleb. Wyznaczono izotermy sorpcji, współczynniki podziału oraz zmiany potencjałów zeta kwarcu i kaolinitu wywołane adsorpcją imidazoliowych cieczy jonowych o zwiększającej się długości łańcucha alkilowego. Potencjał zeta okazał się zależny od długości łańcucha dla...
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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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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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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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Synthesis and biological activity of ester derivatives of mycophenolic acid and acridines/acridones as potential immunosuppressive agents
PublicationImproved derivatives of mycophenolic acid (MPA) are necessary to reduce the frequency of adverse effects, this drug exerts in treated patients. In this study, MPA was coupled with N-(x-hydroxyalkyl)-9-acridone-4-carboxamides or N-(x-hydroxyalkyl)acridine-4-carboxamides to give respective ester conjugates upon Yamaguchi protocol. This esterification required protection of phenol group in MPA. Designed conjugates revealed higher...
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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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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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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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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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Comparison of Cu1.3Mn1.7O4 spinels doped with Ni or Fe and synthesized via wet chemistry and solid-state reaction methods, designed as potential coating materials for metallic interconnects
PublicationThe influence of the method applied to synthesize Cu-Mn-O spinel was evaluated. The methods selected for the investigation were EDTA gel processes and solid-state reaction synthesis. From the obtained powders, sinters were prepared and assessed in terms of their properties as potential coating materials. Additionally, the influence of Ni and Fe dopants was evaluated. The results show that the EDTA gel processes method seems to...
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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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Surface characteristics of glass fibres covered with an aluminum layer after a chemical modification process using secondary ion mass spectrometry (SIMS) and atomic force microscopy (AFM)
PublicationPrzedstawiono wyniki z badań powierzchni modyfikowanych włókien szklanych (przed i po procesie chemicznej modyfikacji ich powierzchni), które są kandydatem na przyszły oryginalny bezmatrycowy materiał odniesienia lotnych analitów etenu (C2H4) metodami spektrometrii mas jonów wtórnych oraz mikroskopii sił atomowych. Badania miały na celu obserwację zmian oraz procesów, jakie zaszły na powierzchni włókien szklanych pokrytych...
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Potential clinical application of serum proteome mass spectrometry analyses in breast cancer patients diagnosis and management
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Analysis of Let-7 Family miRNA in Plasma as Potential Predictive Biomarkers of Diagnosis for Papillary Thyroid Cancer
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Variations in the near-surface atmospheric electric field at high latitudes and ionospheric potential during geomagnetic perturbations
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Sonochemical synthesis of rosuvastatin based novel 3-methyleneisoindolin-1-one derivatives as potential anticancer agents
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Effect of the Yerba mate (Ilex paraguariensis) brewing method on the content of selected elements and antioxidant potential of infusions
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Pinus Species as Prospective Reserves of Bioactive Compounds with Potential Use in Functional Food—Current State of Knowledge
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Antioxidant potential of various solvent extract from Morus alba fruits and its major polyphenols composition
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Application of potential theory in calculating wave-induced vertical forces on horizontal cylinders near a plane boundary
PublicationHydrodynamiczne obciażenia wywołane falowaniem morskim działajace na poziomo ułożoną przy dnie rurę, rozpatrywane są w ujęciu dyfrakcyjnym przy założeniu istnienia funkcji potencjału. Potencjał zdefiniowano jako superpozycję potencjału fali inicjującej oraz potencjału perturbacji spowodowanej istnieniem obiektu przy dnie. Wyniki rozwiązań teoretycznych porównano z wynikami doswiadczeń przeprowadzonych w Wielkim Kanale falowym w...
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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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Investigation of DPPC effect on SiO2 particles and in the presence of phospho(lipases) by zeta potential and effective diameter measurements
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Investigations of DPPC effect on Al2O3 particles in the presence of (phospho)lipases by the zeta potential and effective diameter measurements
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Potential Use of Silica Nanoparticles for the Microbial Stabilisation of Wine: An In Vitro Study Using Oenococcus oeni as a Model
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Susceptibility to Oxidation of Selected Freshwater Fish Species Lipids as a Potential Source of Fish Oil in Dietary Supplements
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Chloroacridine derivatives as potential anticancer agents which may act as tricarboxylic acid cycle enzyme inhibitors
PublicationThe chloroacridines affect biological forms of melanoma in different ways. Amelanotic (Ab) melanoma (with inhibited melanogenesis and higher malignancy) was particularly sensitive to the action of the chloroacridines. The Ab melanoma cells died through apoptosis and through death without caspase activation. Diminished activity of TAC enzymes was noticed among Ab melanoma cells together with ATP/NAD depletion, especially in the...
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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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Antiplasmodial Activity of Nitroaromatic Compounds: Correlation with Their Reduction Potential and Inhibitory Action on Plasmodium falciparum Glutathione Reductase
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Abdominoplasty Skin-Based Dressing for Deep Wound Treatment—Evaluation of Different Methods of Preparation on Therapeutic Potential
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Potential Saving of Antibiotics for Respiratory Infections in Several European Countries: Insights from Market Research Data
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Molecular processes induced in primed seeds—increasing the potential to stabilize crop yields under drought conditions
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Flood-Triggering Rainfall and Potential Losses—The Copula-Based Approach on the Example of the Upper Nysa Kłodzka River
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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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Exploring Alkyl Ester Salts of L-Amino Acid Derivatives of Ibuprofen: Physicochemical Characterization and Transdermal Potential
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Anticancer potential of acetone extracts from selected Potentilla species against human colorectal cancer cells
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Quality improvement in Polish public administration in the context of the creativity potential of tools and techniques of customer satisfaction research
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