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Wyniki wyszukiwania dla: molecular logic gates
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MATHEMATICAL LOGIC QUARTERLY
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Journal of Symbolic Logic
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ARCHIVE FOR MATHEMATICAL LOGIC
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Processing and querying description logic ontologies using cartographic approach
PublikacjaLogika opisowa jest formalizmem reprezentowania wiedzy, który ostatnio zyskuje na znaczeniu wśród inżynierów. Niniejszy rozdział, po krótkim wprowadzeniu do logiki opisowej, prezentuje silnik wnioskujący opracowany na Politechnice Gdańskiej. Silnik ten, o nazwie KaSeA, opiera się na oryginalnej idei kartografii wiedzy. Niniejszy rozdział pokazuje podstawy kartografii wiedzy, jej ograniczenia i potencjał rozwoju, a także porównuje...
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Hearing aid fitting method based on fuzzy logic processing
PublikacjaWażnym etapem dopasowania współczesnych aparatów słuchowych jest wyznaczanie charakterystyki dynamiki słuchu. Charakterystyka ta wyznaczana jest na podstawie wyników testu skalowania głośności. Niestety wyniki te wyrażone są w skali kategorii głośności, natomiast aparaty słuchowe wymagają para-metrów numerycznych. Problem ten można rozwiązać za pomocą logiki rozmytej. W niniejszym referacie przedstawiono metodę przetwarzania rozmytego...
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Hearing aid fitting method based on fuzzy logic processing
PublikacjaWażnym etapem dopasowania współczesnych aparatów słuchowych jest wyznaczanie charakterystyki dynamiki słuchu. Charakterystyka ta wyznaczana jest na podstawie wyników testu skalowania głośności. Niestety wyniki te wyrażone są w skali kategorii głośności, natomiast aparaty słuchowe wymagają para-metrów numerycznych. Problem ten można rozwiązać za pomocą logiki rozmytej. W niniejszym referacie przedstawiono metodę przetwarzania rozmytego...
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Processing and Querying Description Logic Ontologies Using Cartographic Approach
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Employing fuzzy logic to processing of loudness scaling test results
PublikacjaW procesie dopasowania współczesnych aparató słuchowych wymagana jest znajomość charakterystyki dynamiki słyszenia. Charaketrystyka dynamiki słyszenia wyznaczana jest na podstawie wyników testu skalowania głośności. Problem w tym, że wyniki testu skalowania głośności wyrażone są w skali kategorii oceny wrażenia głośności, natomiast aparaty słuchowe wymagają parametrów określonych na skali numerycznej. Logika rozmyta jest jedną...
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Risk factor assessment in agricultural supply chain by fuzzy logic
PublikacjaSignificant uncertainty characterizes the harvest period. This aspect is due to various risks impacting agrifood supply chains. The occurrence of risks is due to hazards: technological failures, technical breakdowns, or adverse weather conditions. Hence, the operational time of the agricultural supply chain during the harvest period increases due to such risk factors. In essence, some hazards are fuzzy, and the nature of most threats...
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Fuzzy logic gain scheduling for non - linear servo tracking
PublikacjaArtykuł zawiera propozycję strojenia jako metodę sterowania serwomechanizmem z silnie nieliniowymi elementami. Serwomechanizm steruje dwoma elementami układu śledzącego zamontowanymi na okręcie znajdującym się w morzu. W układzie występuje tarcie spoczynkowe przy zerowej prędkości oraz nieliniowe tarcie przeciwdziałające ruchowi w każdej z osi układu śledzącego. Zastosowany został podwójny układ sterowania ze sprzężeniem zwrotnym....
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Automatic assessment of the hearing aid dynamics based on fuzzy logic
PublikacjaPrzedstawiono podstawy koncepcyjne systemu dopasowania protez słuchu opartego na logice rozmytej. Przeprowadzono dyskusje na temat metody skalowania głośności. Następnie podano szczegóły procesu aproksymacji funkcji przynależności odzwierciedlające słuchowe wrażenia głośności. Załączono wnioski.
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An evaluation of effectiveness of fuzzy logic model in predicting the business bankruptcy
PublikacjaW artykule sprawdzono skuteczność pojedynczego modelu logiki rozmytej w prognozowaniu ryzyka upadłości przedsiębiorstw w Polsce. W badaniach wykorzystano wartości 14 wskaźników finansowych oraz ich dynamikę zmiany między pierwszym a drugim, drugim a trzecim oraz trzecim a czwartym rokiem objętymi analizą. We wnioskach omówiono różnicę w skutecznościach modelu uzyskanego na wartościach statycznych oraz dynamicznych wskaźników finansowych....
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Identification of Public Service Logic (PSL) and Public Service Motivation (PSM) elements in Open Government Data (OGD) initiatives
PublikacjaWhile previous research on Open Government Data (OGD) has primarily focused on reuse and adoption, this study aims to explore the implications of the Public Service Logic (PSL) and Public Service Motivation (PSM) dimensions in the context of OGD initiatives. This study is contextualized in Tanzania wherein the OGD initiatives are at an evolving stage. For the present study, the perspectives of the 15 public officials involved in...
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MOLECULAR PHARMACEUTICS
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Molecular properties with dual basis set methods
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Evaluating experimental molecular physics studies of radiation damage in DNA*
PublikacjaThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
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Studies in Logic, Grammar and Rhetoric
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublikacjaThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublikacjaTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublikacjaAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Modeling human thinking about similarities by neuromatrices in the perspective of fuzzy logic
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Modelling of soft fault propagation in sequential circuits by fuzzy-logic simulations
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Molecular structures of two E-azobenzocrown ethers
PublikacjaRentgenowska analiza strukturalna monokryształów posłużyła do scharakteryzowania struktury izomerów E dwóch azobenzokoron: 13- i 16-członowej. Oba związki krystalizują w układzie jednoskośnym. W komórce elementarnej, w każdym przypadku znajdują się dwie niezależne cząsteczki, różniące się konformacją, szczególnie łańcucha eterowego. Porównując konformacje ''wolnych'' makrocykli z konformacjami ich kompleksów z jonami metali wskazano,...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Molywood: streamlining the design and rendering of molecular movies
PublikacjaMotivation High-quality dynamic visuals are needed at all levels of science communication, from the conference hall to the classroom. As scientific journals embrace new article formats, many key concepts – particularly in structural biology – are also more easily conveyed as videos than still frames. Notwithstanding, the design and rendering of a complex molecular movie remain an arduous task. Here, we introduce Molywood, a robust...
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Fatty acids as molecular carriers in cleavable antifungal conjugates
PublikacjaConjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker, demonstrate good in vitro activity against human pathogenic yeasts of Candida spp. The minimal inhibitory concentrations (MIC) values for the most active conjugates containing caprylic...
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Telomerase inhibition - unfulfilled hopes in the perfect molecular target
PublikacjaTelomerase plays a pivotal role in cell proliferation, homeostasis, and neoplastic transformation, making it a promising molecular target for cancer chemotherapy. Of note, although hTERT has been explored thoroughly as a target, none of the promising molecules has been approved as a drug until now. The subject of research conducted as part of my doctoral dissertation is explaining the cellular and molecular mechanism of action...
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Molecular differences in mitochondrial DNA (mtDNA) genomes of dogs with malignant mammary tumours
Dane BadawczeThe aim of this study was to determine molecular defects in mitochondrial DNA with the use of large-scale genome analysis in malignant canine mammary gland tumours and indicate whether these changes were linked with the carcinogenesis process. With the use of the NGS technology, we sequenced 27 samples of mtDNA isolated from blood and tumours obtained...
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Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
PublikacjaExascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublikacjaThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublikacjaResearch 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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Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublikacjaInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublikacjaCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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Molecular Biology of Meniscal Healing: A Narrative Review
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublikacjaExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublikacjaWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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Forecasting of railway track tamping based on settlement of sleepers using fuzzy logic
PublikacjaThe sleepers in a railway track transfer vertical, transverse and longitudinal loads to the track ballast and subgrade. The sleepers allow for keeping the distance between the rails constant. The thickness of ballast should be between 16 and 35 cm depending on the design standard of the track, and it should be densified where the ballast supports the sleeper. The exploitation causes contamination of the ballast, crushing the material...
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Assessment of the impact of a phosphatic fertilizer plant on the adjecent environment using fuzzy logic
PublikacjaZbadano wpływ zakładów nawozów fosforowych na otaczające środowisko. W próbkach trawy i gleby oraz produktów i produktu ubocznego oznaczono wybrane pierwiastki ziem rzadkich, metale ciężkie i metaloidy. Zbadano rozkład stężeń pierwiastków oznaczonych w próbkach gleby i trawy wzdłuż południowego i wschodniego kierunku, porównując ją ze stężeniami oznaczonymi w glebie i trawie z terenu zakładów oraz w substratach i produktach. Wyniki...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublikacjaPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublikacjaThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
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Molecular dynamics of fentanyl bound to μ-opioid receptor
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublikacjaThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Paweł Możejko dr hab.
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublikacjaThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Chitosan-Based Membranes as Gentamicin Carriers for Biomedical Applications — Influence of Chitosan Molecular Weight
PublikacjaOver the past decade, much attention has been paid to chitosan as a potential drug carrier because of its non-toxicity, biocompatibility, biodegradability and antibacterial properties. The effect of various chitosan characteristics on its ability to carry different antibiotics is discussed in the literature. In this work, we evaluated the influence of the different molecular weights of this polymer on its potential as an antibacterial...