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Search results for: EMPIRICAL POTENTIALS
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Hydrogen Storage in Geological Formations—The Potential of Salt Caverns
PublicationHydrogen-based technologies are among the most promising solutions to fulfill the ze- ro-emission scenario and ensure the energy independence of many countries. Hydrogen is considered a green energy carrier, which can be utilized in the energy, transport, and chemical sectors. However, efficient and safe large-scale hydrogen storage is still challenging. The most frequently used hydrogen storage solutions in industry, i.e., compression...
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Detecting Apples in the Wild: Potential for Harvest Quantity Estimation
PublicationKnowing the exact number of fruits and trees helps farmers to make better decisions in their orchard production management. The current practice of crop estimation practice often involves manual counting of fruits (before harvesting), which is an extremely time-consuming and costly process. Additionally, this is not practicable for large orchards. Thanks to the changes that have taken place in recent years in the field of image...
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The Anti-Staphylococcal Potential of Ethanolic Polish Propolis Extracts
PublicationAbstract: The principal objective of this study was to determine the anti-staphylococcal potential of ethanol extracts of propolis (EEPs). A total of 20 samples of propolis collected from apiaries located in different regions of Poland were used in the study. The two-fold broth microdilution method revealed some important differences in the antimicrobial activity of investigated EEPs. Up to the concentration of 4096 µg/mL no activity...
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Dimethyl ether (DME) as potential environmental friendly fuel
PublicationIn recent years, there has been a growing interest in replacing petroleum fuels with so-called second generation environmental friendly fuels. Compared to traditional petroleum fuels dimethyl ether (DME) could be used as a clean high-efficiency compression ignition fuel with reduced particulate matter (PM), sulfur oxides (SOx), hydrocarbons (HC), carbon monoxide (CO) as well as combustion noise. Compared to some of the other leading...
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The potential of raw sewage sludge in construction industry – A review
PublicationExcess sewage sludge produced in any municipal or industrial wastewater treatment plant becomes a serious problem due to its increasing amount. This increase is related to the improvement of treatment technologies, expansion of sewage systems and the development of new industrial plants. The implementation and development of new technologies related to the utilization of sewage sludge is currently based on treating it as a substrate....
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Birch sap concentrate as a potential modern food product
PublicationThis paper presents birch sap concentrate obtained by the reverse osmosis method. It is characterized by sweet taste, high content of minerals and no risk to consumers in terms of content of heavy metals standardized in the European Union food legislation. This beverage has all the features of a modern food product, i.e. it has an attractive taste, is obtained using new technology, meets the clean label requirements and can be...
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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Potential for ITS/ICT Solutions in Urban Freight Management
PublicationThe article presents a study on applying ITS solutions in planning and management of urban freight transport in Gdynia. The traffic management system Tristar which is under implementation and its related systems show a potential to assist in development of freight transport measures. Recommendations for urban freight policy development supplementing Gdynia's Sustainable Urban Mobility Plan were used as a basis for identification...
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Determination of Liquid Detergent Pods as a Potential Microplastic Source
PublicationWashing pods became a popular way to add detergent to washing machines. Despite the claims about the degradability of the pod film, the sludge in pipes can be observed after the usage of such pods. This study focused on a quantitative and qualitative analysis of washing pod films as a source of microplastic.
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Potential energy curves of LiCs dimer
Open Research DataThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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Potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
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Secondary metabolites from Potentilla argentea
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Determination of the substances potentially allergenic in water
PublicationPersonal care chemicals are continuously released into environment through domestic and industrial wastewater, causing adverse effects on human health. Their presence can be detected in different environmental compartments. A group of chemicals included in most personal care products are the allergen fragrances. In the present work, simple and rapid methodology based on ultrasound-assisted emulsification-microextraction (USAEME)...
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Socialine Teorija Empirija Politika ir Praktika
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Stability and instability processes in the calli of Fagopyrum tataricum that have different morphogenic potentials
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Local and long range potentials for heparin‐protein systems for coarse‐grained simulations
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A dressing of zero-range potentials and electron-molecule scattering problem at low energies
PublicationTechnika ''ubierania'' jest używana do poprawy modelu potencjału zerowego promienia (ZRP). Rozważamy przekształcenia Darboux zaczynające się od ZRP, wynik ''ubierania'' daje potencjał z niezerowym promieniem, który zależy od parametrów rozwiązania.
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublicationWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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TiO2-potential zeta in water
Open Research DataData contain results from measurements of zeta potential for powdered TiO2 in a diluted aqueous solution. The measurements were performed in Zetasizer Nano ZS analyser.
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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On intermolecular potential determination via equations of state and by acoustic data
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CD73 Expression as a Potential Marker of Good Prognosis in Breast Carcinoma
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Composition of polyphenols of asparagus spears (Asparagus officinalis) and their antioxidant potential
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Metabolic profiling of pteridines for determination of potential biomarkers in cancer diseases
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Delving into the Therapeutic Potential of Carica papaya Leaf against Thrombocytopenia
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Impaired baroreflex sensitivity as a potential marker of cardiovascular risk in hypertension
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Yeast as a Model to Characterize Anti-Aging Potential of Flavonoids (poster)
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Yeast as a Model to Characterize Anti-Aging Potential of Flavonoids (poster)
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Yeast as a Model to Characterize Anti-Aging Potential of Flavonoids (poster)
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Potential of Mean Force of Hydrophobic Association: Dependence on Solute Size
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Parkinson’s disease: Etiopathogenesis, molecular basis and potential treatment opportunities
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Current rectification in molecular junctions produced by local potential fields
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Nonsense-Mediated mRNA Decay: Pathologies and the Potential for Novel Therapeutics
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Antioxidant Potential of Curcumin—A Meta-Analysis of Randomized Clinical Trials
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Cylindrospermopsin: Water-linked potential threat to human health in Europe
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Potential Use of Thalidomide in Glioblastoma Treatment: An Updated Brief Overview
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Revision of Biological Methods for Determination of EDC Presence and Their Endocrine Potential
PublicationEndocrine-disrupting compounds (EDC) are chemicals responsible for disturbances in the hormonal balance of organisms. This group of chemicals includes both egzogenic and endogenic substances or their mixtures that impact functioning of natural hormones in organisms. In the available literature one can find information on the application of chromatographic and related techniques in the analysis of environmental samples for detection,...
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ASSESSMENT OF TOXIC EFFECT AND ENDOCRINE POTENTIAL OF FOOD PACKAGES EXTRACTS
PublicationIn the scientific literature related to the widely understood issue of packaging materials designed to have contact with food there is much information on raw materials used for their production, their physiochemical properties, types and parameters. There is also a great number of publications on the management and disposal of used packaging. Unfortunately, not much attention is given to the matters concerning migration of toxic...
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Beta-galactosidases from a psychrotolerant Arthrobacter isolates and their potential use
PublicationEnzymes from extremophiles, especially psychrophiles and psychrotolerant microorganisms are currently intensively studied because of their unusual structural and functional properties. One of these enzymes is a cold-adapted - galactosidase (EC 3.2.1.23) which catalyzes the hydrolysis of - 1,4-glycosidic bonds in -galactosides. The most common - galactoside is lactose, a disaccharide which makes up 2-7% of milk. The majority of...
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THE POTENTIAL OF DIFFERENT VARIETIES OF WHITE CABBAGE IN PHYTOREMEDIATION OF ZN AND CD
PublicationThe species belong to the botanical family Brassi- caceae are considered to be useful for phytoremediation of soil contaminated with heavy metals. Problems with use the plants recognized as hyperacumulators is that, the plants need to be harvested shortly after the plants become mature, which causes problems of disposal of obtained biomass. When these plants are dried, they easily crumble and flake off, greatly reducing the yield obtained,...
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Inhibitors of glucosamine-6-phosphate synthase as potential antifungal drugs.
PublicationPrzedstawiono stan obecny i perspektywy zastosowania inhibitorów enzymu syntazy GlcN-6-P jako leków skutecznych w leczeniu grzybic układowych. Używając metod modelowania molekularnego zaprojektowano struktury inhibitorów enzymu należących do dwóch grup strukturalnych: analogów glutaminy oraz analogów stanu przejściowego reakcji katalizowanej przez enzym. Opracowano metody syntezy pochodnych zoptymalizowanych inhibitorów, wykazujących...
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Potential of ASH technology for protection against chemical and biological attacks
PublicationTechnologia wykorzystująca reaktor cyklonowy dzięki dużej wydajności posiada szczególne predyspozycje do usuwania lub niszczenia składników broni chemicznej i biologicznej ze strumieni gazów o dużym natężeniu przepływu, pochodzących z systemów ogrzewania, wentylacji i klimatyzacji, bez powodowania znacznych spadków ciśnienia. Reaktor cyklonowy posiada znaczne mniejsze rozmiary, około 10% objętości tradycyjnych systemów oczyszczania...
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Therapeutic Potential of Carnosine and Its Derivatives in the Treatment of Human Diseases
PublicationDespite significant progress in the pathogenesis, diagnosis, treatment, and prevention of cancer and neurodegenerative diseases, their occurrence and mortality are still high around theworld. The resistance of cancer cells to the drugs remains a significant problem in oncology today,while in the case of neuro-degenerative diseases, therapies reversing the process are still yet to be found. Furthermore, it is important to seek new...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublicationFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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Chronic Rhinosinusitis—Microbiological Etiology, Potential Genetic Markers, and Diagnosis
PublicationChronic rhinosinusitis (CRS) is a significant public health problem. Bacterial colonization and impaired mucociliary clearance play a significant role in the inflammatory process. Several inflammatory pathways and host defense elements are altered in CRS, which may contribute to observed differences in the microbiome. To date, researching CRS has been difficult due to limited access to the studied tissue and a lack of available...
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Bacteriophages as potential tools for use in antimicrobial therapy and vaccine development
PublicationThe constantly growing number of people suffering from bacterial, viral, or fungal infections, parasitic diseases, and cancers prompts the search for innovative methods of disease prevention and treatment, especially based on vaccines and targeted therapy. An additional problem is the global threat to humanity resulting from the increasing resistance of bacteria to commonly used antibiotics. Conventional vaccines based on bacteria...
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The potential of web awareness as a determinant of dually defined customer value
PublicationIn the conditions of increasing demand barrier, the enterprise’s basic capital is customers. From an enterprise point of view, this means the need to create a dual perceived and defined customer value which remains related to market value (income and development potential) and customer resource value (reference, information and cooperative potential). The progressing digitisation process transfers business processes, and thus relationships, into...
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The assessment of solar photovoltaic in Poland: the photovoltaics potential, perspectives and development
PublicationThe following article explains the current condition of the photovoltaics sector both in Poland and worldwide. Recently, a rapid development of solar energy has been observed in Poland and is estimated that the country now has about 700,000 photovoltaics prosumers. In October 2021, the total photovoltaics power in Poland amounted to nearly 5.7 GW. The calculated technical potential of photovoltaics in Poland is 153.484 PJ (42.634...