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wszystkich: 789
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Wyniki wyszukiwania dla: MOLECULAR MODELING,MOLECULES,NEURAL NETWORKS,SOLVENTS,VISCOSITY
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Progress in ATRP-derived materials for biomedical applications
PublikacjaThe continuing wave of technological breakthroughs and advances is critical for engineering well- defined materials, particularly biomaterials, with tailored microstructure and properties. Over the last few decades, controlled radical polymerization (CRP) has become a very promising option for the synthesis of precise polymeric materials with an unprecedented degree of control over mo lecular architecture. Atom transfer radical...
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Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors
PublikacjaIn the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling techniques. Additionally, computational docking methods were used to determine the binding modes of the synthesized inhibitors...
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Functionalized Polyolefins Produced by Post-Metallocenes; High Added Value Materials, but Can They Be Produced Efficiently?
PublikacjaRandomly functionalized polyolefins produced by catalysis have received increasing attention owing to their welldefined molecular structures, uniform distribution, and variety in types of functionalities. Herein, we investigate the scalability of the production of hydroxyl-functionalized propylene copolymers via a high temperature solution polymerization process using aluminum trialkyls as passivating agents. Initially, we evaluated...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublikacjaAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Machine-learning-based precise cost-efficient NO2 sensor calibration by means of time series matching and global data pre-processing
PublikacjaAir pollution remains a considerable contemporary challenge affecting life quality, the environment, and economic well-being. It encompasses an array of pollutants—gases, particulate matter, biological molecules—emanating from sources such as vehicle emissions, industrial activities, agriculture, and natural occurrences. Nitrogen dioxide (NO2), a harmful gas, is particularly abundant in densely populated urban areas. Given its...
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Survey on fuzzy logic methods in control systems of electromechanical plants
PublikacjaРассмотрены алгоритмы управления электромеханическими системами с использованием теории нечеткой логики, приводятся основные положения их синтеза, рассматриваются методы анализа их устойчивости на основе нечетких функций Ляпунова. Эти алгоритмы чаще всего реализуются в виде различных регуляторов, применение которых целесообразно в системах, математическая модель которых не известна, не детерминирована или является строго нелинейной,...
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System for automatic singing voice recognition
PublikacjaW artykule przedstawiono system automatycznego rozpoznawania jakości i typu głosu śpiewaczego. Przedstawiono bazę danych oraz zaimplementowane parametry. Algorytmem decyzyjnym jest algorytm sztucznych sieci neuronowych. Wytrenowany system decyzyjny osiąga skuteczność ok. 90% w obydwu kategoriach rozpoznawania. Dodatkowo wykazano przy pomocy metod statystycznych, że wyniki działania systemu automatycznej oceny jakości technicznej...
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Faults and Fault Detection Methods in Electric Drives
PublikacjaThe chapter presents a review of faults and fault detection methods in electric drives. Typical faults are presented that arises for the induction motor, which is valued in the industry for its robust construction and cost-effective production. Moreover, a summary is presented of detectable faults in conjunction with the required physical information that allow a detection of specific faults. In order to address faults of a complete...
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Combined Single Neuron Unit Activity and Local Field Potential Oscillations in a Human Visual Recognition Memory Task
PublikacjaGOAL: Activities of neuronal networks range from action potential firing of individual neurons, coordinated oscillations of local neuronal assemblies, and distributed neural populations. Here, we describe recordings using hybrid electrodes, containing both micro- and clinical macroelectrodes, to simultaneously sample both large-scale network oscillations and single neuron spiking activity in the medial temporal lobe structures...
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On Memory-Based Precise Calibration of Cost-Efficient NO2 Sensor Using Artificial Intelligence and Global Response Correction
PublikacjaNitrogen dioxide (NO2) is a prevalent air pollutant, particularly abundant in densely populated urban regions. Given its harmful impact on health and the environment, precise real-time monitoring of NO2 concentration is crucial, particularly for devising and executing risk mitigation strategies. However, achieving precise measurements of NO2 is challenging due to the need for expensive and cumbersome equipment. This has spurred...
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Machine learning-based seismic response and performance assessment of reinforced concrete buildings
PublikacjaComplexity and unpredictability nature of earthquakes makes them unique external loads that there is no unique formula used for the prediction of seismic responses. Hence, this research aims to implement the most well-known Machine Learning (ML) methods in Python software to propose a prediction model for seismic response and performance assessment of Reinforced Concrete Moment-Resisting Frames (RC MRFs). To prepare 92,400 data...
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Problem of aggregation in dye-DNA interaction, calorimetry studies
PublikacjaNucleic acids are the biological target for many antimicrobial, antitumor and antiviral drugs. Ligand-DNA interactions can be classified into two major categories: 1. covalent binding, which can provide to intermolecular adducts, 2. physico-chemical interactions, which can be divided into intercalation (e.g. adriamycin) or groove binding (e.g. dystamycin). There are several methods to investigate interactions between drug and DNA....
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Computationally Efficient Surrogate-Assisted Design of Pyramidal-Shaped 3D Reflectarray Antennas
PublikacjaReflectarrays (RAs) have been attracting considerable interest in the recent years due to their appealing features, in particular, a possibility of realizing pencil-beam radiation patterns, as in the phased arrays, but without the necessity of incorporating the feeding networks. These characteristics make them attractive solutions, among others, for satellite communications or mobile radar antennas. Notwithstanding, available microstrip...
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Marine and Cosmic Inspirations for AI Algorithms
PublikacjaArtificial Intelligence (AI) is a scientific area that currently sees an enormous growth. Various new algorithms and methods are developed and many of them meets practical, successful applications. Authors of new algorithms draw different inspirations. Probably the most common one is the nature. For example, Artificial Neural Networks were inspired by the structure of human brain and nervous system while the classic Genetic Algorithm...
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Dynamic GPU power capping with online performance tracing for energy efficient GPU computing using DEPO tool
PublikacjaGPU accelerators have become essential to the recent advance in computational power of high- performance computing (HPC) systems. Current HPC systems’ reaching an approximately 20–30 mega-watt power demand has resulted in increasing CO2 emissions, energy costs and necessitate increasingly complex cooling systems. This is a very real challenge. To address this, new mechanisms of software power control could be employed. In this...
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Study of various machine learning approaches for Sentinel-2 derived bathymetry
PublikacjaIn recent years precise and up-to-date information regarding seabed depth has become more and more important for companies and institutions that operate on coastlines. While direct, in-situ measurements are performed regularly, they are expensive, time-consuming and impractical to be performed in short time intervals. At the same time, an ever-increasing amount of satellite imaging data becomes available. With these images, it...
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Triplet–Triplet Annihilation Upconverting Liposomes: Mechanistic Insights into the Role of Membranes in Two-Dimensional TTA-UC
PublikacjaTriplet−triplet annihilation upconversion (TTA-UC) implemented in nanoparticle assemblies is of emerging interest in biomedical applications, including in drug delivery and imaging. As it is a bimolecular process, ensuring sufficient mobility of the sensitizer and annihilator to facilitate effective collision in the nanoparticle is key. Liposomes can provide the benefits of two-dimensional confinement and condensed concentration...
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Direct injection liquid chromatography-mass spectrometry (DI-LC-MS) analysis for rapid lipidomic profiling of extracellular vesicles
PublikacjaExtracellular vesicles (EVs) are small, spherical particles produced by eukaryotic and prokaryotic cells, surrounded by a bilayer membrane and carrying various bioactive molecules, such as proteins, surface receptors, membrane and soluble proteins, lipids, and nucleic acids. EVs are of substantial interest because of their important roles in cell communication, epigenetic regulation and possible application in disease diagnosis...
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Fusion of Taq DNA polymerase with single-stranded DNA binding-like protein of Nanoarchaeum equitans—Expression and characterization
PublikacjaDNA polymerases are present in all organisms and are important enzymes that synthesise DNA molecules. They are used in various fields of science, predominantly as essential components for in vitro DNA syntheses, known as PCR. Modern diagnostics, molecular biology and genetic engineering need DNA polymerases which demonstrate improved performance. This study was aimed at obtaining a new NeqSSB-TaqS fusion DNA polymerase from the...
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Verification of the Parameterization Methods in the Context of Automatic Recognition of Sounds Related to Danger
PublikacjaW artykule opisano aplikację, która automatycznie wykrywa zdarzenia dźwiękowe takie jak: rozbita szyba, wystrzał, wybuch i krzyk. Opisany system składa się z bloku parametryzacji i klasyfikatora. W artykule dokonano porównania parametrów dedykowanych dla tego zastosowania oraz standardowych deskryptorów MPEG-7. Porównano też dwa klasyfikatory: Jeden oparty o Percetron (sieci neuronowe) i drugi oparty o Maszynę wektorów wspierających....
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Implementing artificial intelligence in forecasting the risk of personal bankruptcies in Poland and Taiwan
PublikacjaResearch background: The global financial crisis from 2007 to 2012, the COVID-19 pandemic, and the current war in Ukraine have dramatically increased the risk of consumer bankruptcies worldwide. All three crises negatively impact the financial situation of households due to increased interest rates, inflation rates, volatile exchange rates, and other significant macroeconomic factors. Financial difficulties may arise when the...
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Vehicle detector training with minimal supervision
PublikacjaRecently many efficient object detectors based on convolutional neural networks (CNN) have been developed and they achieved impressive performance on many computer vision tasks. However, in order to achieve practical results, CNNs require really large annotated datasets for training. While many such databases are available, many of them can only be used for research purposes. Also some problems exist where such datasets are not...
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Deep learning techniques for biometric security: A systematic review of presentation attack detection systems
PublikacjaBiometric technology, including finger vein, fingerprint, iris, and face recognition, is widely used to enhance security in various devices. In the past decade, significant progress has been made in improving biometric sys- tems, thanks to advancements in deep convolutional neural networks (DCNN) and computer vision (CV), along with large-scale training datasets. However, these systems have become targets of various attacks, with...
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Implementing an Analytical Model to Elucidate the Impacts of Nanostructure Size and Topology of Morphologically Diverse Zinc Oxide on Gas Sensing
PublikacjaThe development of state-of-the-art gas sensors based on metal oxide semiconductors (MOS) to monitor hazardous and greenhouse gas (e.g., methane, CH4, and carbon dioxide, CO2) has been significantly advanced. Moreover, the morphological and topographical structures of MOSs have significantly influenced the gas sensors by means of surface catalytic activities. This work examines the impact of morphological and topological networked...
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Structural, magnetic and spectral properties of tetrahedral cobalt(II) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation
PublikacjaBlue crystals of five heteroleptic cobalt(II) silanethiolates 1–5 have been obtained by the reaction of [Co{SSi (tBuO)3}2(NH3)]2 with aminopyridines and aminomethylpyridines at an appropriate molar ratio and their structural, spectral, thermal and magnetic properties have been established and described. All complexes 1–5 contain Co(II) ions in a tetrahedral CoN2S2 environment formed by (tBuO)3SiS− residues and pyridines and present...
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublikacjaThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Mechanics of Micro- and Nano-Size Materials and Structures
PublikacjaNanotechnology knowledge is always looking to expand its boundaries to achieve the mostsignificant benefit to human life and meet the growing needs of today. In this case, we can refer tomicro- and nanosensors in micro/nano-electromechanical systems (MEMS/NEMS). These electricaldevices can detect minimal physical stimuli up to one nanometer in size. Today, micro/nano-sensordevices are widely used in the...
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Metabolomics analysis of the effect of time and oxygen on the fibrosarcoma cell line (HT1080) - model studies
PublikacjaOxygen molecular effect on cancer cells metabolism has been a concern for decades,at the beginning with Louis Pasteur’s and his understanding of glucose fermentation.In the 1930s, Otto Warburg came with his new understanding of cancer biology by introducingthe alteration of cancer cells' metabolism in the presence or absence of oxygen moleculesby increasing glucose uptake and producing lactate through...
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Nanoparticles preparation using microemulsion systems
PublikacjaMetallic nanoparticles become of current interests because they exhibit unique properties compared with those of metal atoms or bulk metal due to the quantum size effect and their large surface area, which make them attractive for applications in optics, electronics, catalysis biology and medicine. TiO2 has been used for environmental remediation purposes such as in the purification of water and air and also solar-to chemical energy...