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Wyniki wyszukiwania dla: alphafold, blind prediction, capri, casp, deep learning, protein assemblies, protein complexes, protein-protein interaction
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An Adaptive Network Model Simulating the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublikacjaThis paper investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organizational culture results in better mistake management and thus better organizational learning, (2) Effective organizational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader's behavior must align for the best learning effects....
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An Adaptive Network Model Simulating the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublikacjaThis paper investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organizational culture results in better mistake management and thus better organizational learning, (2) Effective organizational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader’s behavior must align for the best learning effects....
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The lubricant-coating interaction in rolling and sliding contacts
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Numerical modeling of wave-seabed-structure interaction.
PublikacjaPraca doktorska przedstawia propozycję nowoczesnego rozwiązania obciążeń hydraulicznych przy uwzględnieniu nieliniowych oddziaływań pomiędzy falą wodną, przepuszczalnym dnem i porowatą konstrukcją morską. Nabrzeże pionowe, falochron podwodny i falochron kompozytowy były obiektem eksperymentów numerycznych, których wyniki były weryfikowane przy użyciu wyników laboratoryjnych (niszczących i nieniszczących). Krótki przegląd bieżącej...
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Interaction with medical data using QR-codes
PublikacjaBar-codes and QR-codes (Quick Response ) are often used in healthcare. In this paper an application of QR-codes to exchange of laboratory results is presented. The secure data exchange is proposed between a laboratory and a patient and between a patient and Electronic Health Records. Advanced Encryption Standard was used to provide security of data encapsulated within a QR-code. The experimental setup, named labSeq is described....
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Optical method supported by machine learning for urinary tract infection detection and urosepsis risk assessment
PublikacjaThe study presents an optical method supported by machine learning for discriminating urinary tract infections from an infection capable of causing urosepsis. The method comprises spectra of spectroscopy measurement of artificial urine samples with bacteria from solid cultures of clinical E. coli strains. To provide a reliable classification of results assistance of 27 algorithms was tested. We proved that is possible to obtain...
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Machine learning for the management of biochar yield and properties of biomass sources for sustainable energy
PublikacjaBiochar is emerging as a potential solution for biomass conversion to meet the ever increasing demand for sustainable energy. Efficient management systems are needed in order to exploit fully the potential of biochar. Modern machine learning (ML) techniques, and in particular ensemble approaches and explainable AI methods, are valuable for forecasting the properties and efficiency of biochar properly. Machine-learning-based forecasts,...
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Effect of microwave and convection heating on selected nutrients of human milk
PublikacjaThe aim of this study was to determine the influence of the microwave heating method (MWH) on selected determinants of the nutritional value of human milk (HM) and compare to the effect exerted by the standard convection heating (CH) method, including holder pasteurization (HoP). It was showed that using MWH under conditions assumed to ensure microbiological safety, changes in the level of the nutrients were not observed. In these...
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Nonprotein nitrogenous compounds
PublikacjaThe non-protein nitrogen (NPN) fraction is an important group of food components for both technological and nutritional reasons. Free amino acids (FAAs), oligopeptides, amines, nucleic acids, and nucleotides, as well as other low-molecular nitrogen-containing components (cyanogenic glycosides, alkaloids, thiazoles, oxazoles, pyrroles, and pyrazines), are found in most foods. Their content depends on many factors, starting from...
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Efficient three-dimensional fluorescence measurements for characterization of binding properties in some plants
PublikacjaThe main aim of this research was to characterize some plants and to determine their similarities and differences, using spectroscopic methods. The interactions of soluble polyphenols of different plants with human serum albumin (HSA) were investigated by 3D-fluorescence. The obtained fluorescence results allow to classify the investigated plants according to their binding properties. The HSA-binding capacities of these plants...
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A new division of bacterial UvrA homologues
PublikacjaThe UvrA protein is a DNA-binding and damage-recognition enzyme which participates in the prokaryotic type nucleotide excision repair (NER) pathway. It has recently been noted that some bacterial genomes comprise additional uvrA genes which encode five distinct types of UvrA homologue. We investigated the sequences of over 2400 bacterial genomes and found 130 examples of bacteria containing uvrA 2 genes. The sequence analyses conducted...
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Fast and reliable knowledge-based design closure of antennas by means of iterative prediction-correction scheme
PublikacjaA novel framework for expedited antenna optimization with an iterative prediction-correction scheme is proposed. The methodology is comprehensively validated using three real-world antenna structures: narrow-band, dual-band and wideband, optimized under various design scenarios. The keystone of the proposed approach is to reuse designs pre-optimized for various sets of performance specifications and to encode them into metamodels...
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The potential interaction of environmental pollutants and circadian rhythm regulations that may cause leukemia
PublikacjaTumor suppressor genes are highly affected during the development of leukemia, including circadian clock genes. Circadian rhythms constitute an evolutionary molecular machinery involving many genes, such as BMAL1, CLOCK, CRY1, CRY2, PER1, PER2, REV-ERBa, and RORA, for tracking time and optimizing daily life during day-night cycles and seasonal changes. For circulating blood cells many of these genes coordinate their proliferation,...
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Lignocellulosic waste biosorbents infused with deep eutectic solvents for biogas desulfurization
PublikacjaThis paper introduces an innovative method for treating biogas streams, employing lignocellulosic biosorbents infused with environmentally friendly solvents known as deep eutectic solvents (DES). The primary focus of this study was the elimination of volatile organosulfur compounds (VSCs) from model biogas. Biosorbents, including energetic poplar wood, antipka tree, corncobs, and beech wood, were used, each with varying levels...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublikacjaOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Can Evaluation Patterns Enable End Users to Evaluate the Quality of an e-learning System? An Exploratory Study.
PublikacjaThis paper presents the results of an exploratory study whose main aim is to verify if the Pattern-Based (PB) inspection technique enables end users to perform reliable evaluation of e-learning systems in real work-related settings. The study involved 13 Polish and Italian participants, who did not have an HCI background, but used e-learning platforms for didactic and/or administrative purposes. The study revealed that the participants...
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Hydrophobic (deep) eutectic solvents (HDESs) as extractants for removal of pollutants from water and wastewater – A review
PublikacjaDeep eutectic solvents (DESs) are a new generation of solvents that attracted increasing attention in diverse applications. In last years, growing number of studies on hydrophobic (deep) eutectic solvents (HDESs) as an alternative extractants for various chemicals from aqueous environments have been reported. This article provides an overview on the usage of HDESs in liquid–liquid extraction (LLE) of different pollutants from water...
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A machine learning approach to classifying New York Heart Association (NYHA) heart failure
PublikacjaAccording to the European Society of Cardiology, globally the number of patients with heart failure nearly doubled from 33.5 million in 1990 to 64.3 million in 2017, and is further projected to increase dramatically in this decade, still remaining a leading cause of morbidity and mortality. One of the most frequently applied heart failure classification systems that physicians use is the New York Heart Association (NYHA) Functional...
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Learning and memory processes in autonomous agents using an intelligent system of decision-making
PublikacjaThis paper analyzes functions and structures of the memory that is an indispensable part of an Intelligent System of Decision-making (ISD), developed as a universal engine for autonomous robotics. A simplified way of processing and coding information in human cognitive processes is modelled and adopted for the use in autonomous systems. Based on such a knowledge structure, an artificial model of reality representation and a model...
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Learning and memory processes in autonomous agents using an intelligent system of decision-making
PublikacjaThis paper analyzes functions and structures of the memory that is an indispensable part of an Intelligent System of Decision-making (ISD), developed as a universal engine for autonomous robotics. A simplified way of processing and coding information in human cognitive processes is modelled and adopted for the use in autonomous systems. Based on such a knowledge structure, an artificial model of reality representation and a model...
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Strategic Flexibility as a Mediator in Relationship between Managerial Decisions and Organizational Learning: Ambidexterity Perspective
PublikacjaPurpose: The purpose of the article is to determine strategic flexibility in the relationship between managerial decisions and organizational learning. The analyses are conducted in the ambidexterity convection. Design/Methodology/Approach: The study was conducted at a textile company. The company is a leader in the textile recycling industry in Poland. Empirical data were collected using the PAPI technique. The survey questionnaire...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublikacjaDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Numerical Study on Seismic Response of a High-Rise RC Irregular Residential Building Considering Soil-Structure Interaction
PublikacjaThe objective of the present study is to investigate the importance of soilstructure interaction effects on the seismic response of a high-rise irregular reinforced-concrete residential building. In order to conduct this research, a detailed three-dimensional structure model was subjected to various earthquake excitations, also including a strong mining tremor. Soil-foundation flexibility was represented using the spring-based...
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Distributed Learning with Data Reduction
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e-Learning in Tourism Education
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Online Learning Based on Prototypes
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Modeling and Simulation for Exploring Power/Time Trade-off of Parallel Deep Neural Network Training
PublikacjaIn the paper we tackle bi-objective execution time and power consumption optimization problem concerning execution of parallel applications. We propose using a discrete-event simulation environment for exploring this power/time trade-off in the form of a Pareto front. The solution is verified by a case study based on a real deep neural network training application for automatic speech recognition. A simulation lasting over 2 hours...
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Synthesis, Structure, and Spectroscopic Properties of Calcium Thiophenecarboxylate Polymers. Structural Comparison with Analogous Lead Complexes
PublikacjaThree novel calcium coordination polymers [Ca(2tpCOO)2(2mpa)(H2O)]n (1), [Ca(3tpCOO)2(2mpa)(H2O)]n (2), and {[Ca(3tpacCOO)2(H2O)2]⋅⋅⋅H2O}n (3) (2tpCOO− or 3tpCOO− – thiophene-2- or thiophene-3-carboxylate, 3tpacCOO− – thiophene-3-acetate, 2mpa – 2-methylpropanal), were synthesised using a self-assembly method. The obtained polymers were characterised using SC-XRD, FTIR, UV-Vis DRS, thermogravimetric and luminescence analyses. The...
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Noise profiling for speech enhancement employing machine learning models
PublikacjaThis paper aims to propose a noise profiling method that can be performed in near real-time based on machine learning (ML). To address challenges related to noise profiling effectively, we start with a critical review of the literature background. Then, we outline the experiment performed consisting of two parts. The first part concerns the noise recognition model built upon several baseline classifiers and noise signal features...
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Remote learning among students with and without reading difficulties during the initial stages of the COVID-19 pandemic
PublikacjaThis article presents the results of a survey on yet under-researched aspects of remote learning and learning difficulties in higher education during the initial stage (March – June 2020) of the COVID-19 pandemic. A total of 2182 students from University of Warsaw in Poland completed a two-part questionnaire regarding academic achievements in the academic year 2019/2020, living conditions and stress related to learning and pandemic,...
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Underground Water Level Prediction in Remote Sensing Images Using Improved Hydro Index Value with Ensemble Classifier
PublikacjaThe economic sustainability of aquifers across the world relies on accurate and rapid estimates of groundwater storage changes, but this becomes difficult due to the absence of insitu groundwater surveys in most areas. By closing the water balance, hydrologic remote sensing measures offer a possible method for quantifying changes in groundwater storage. However, it is uncertain to what extent remote sensing data can provide an...
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Perspektywy wykorzystania technologii internetowych typu E-learning w dydaktyce szkół wyższych.
PublikacjaArtykuł dotyczy nauczania przez Internet na poziomie uniwersyteckim. Zaprezentowany został model wirtualnego uniwersytetu, który obejmuje materiały dydaktyczne, komunikację, egzaminy i organizację. Artykuł koncentruje się na technicznych zagadnieniach. Przeanalizowano także wpływ wykorzystania technologii E-learning na różne aspekty życia wyższej uczelni.
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Machine Learning Applied to Aspirated and Non-Aspirated Allophone Classification—An Approach Based on Audio "Fingerprinting"
PublikacjaThe purpose of this study is to involve both Convolutional Neural Networks and a typical learning algorithm in the allophone classification process. A list of words including aspirated and non-aspirated allophones pronounced by native and non-native English speakers is recorded and then edited and analyzed. Allophones extracted from English speakers’ recordings are presented in the form of two-dimensional spectrogram images and...
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Superhydrophobic sponges based on green deep eutectic solvents for spill oil removal from water
PublikacjaThe paper described a new method for crude oil-water separation by means of superhydrophobic melamine sponges impregnated by deep eutectic solvents (MS-DES). Due to the numerous potential of two-component DES formation, simple and quick screening of 156 non-ionic deep eutectic solvents using COSMO-RS (Conductor-like Screening Model for Real Solvents) computational model was used. DES which were characterized by high solubility...
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Estimation and Prediction of Vertical Deformations of Random Surfaces, Applying the Total Least Squares Collocation Method
PublikacjaThis paper proposes a method for determining the vertical deformations treated as random fields. It is assumed that the monitored surfaces are subject not only to deterministic deformations, but also to random fluctuations. Furthermore, the existence of random noise coming from surface’s vibrations is also assumed. Such noise disturbs the deformation’s functional models. Surface monitoring with the use of the geodetic levelling...
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublikacjaSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Real and Virtual Instruments in Machine Learning – Training and Comparison of Classification Results
PublikacjaThe continuous growth of the computing power of processors, as well as the fact that computational clusters can be created from combined machines, allows for increasing the complexity of algorithms that can be trained. The process, however, requires expanding the basis of the training sets. One of the main obstacles in music classification is the lack of high-quality, real-life recording database for every instrument with a variety...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublikacjaThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
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Reactions on the surface of the implant under the influence of biofilm
PublikacjaThe contact of a biomaterial with the biological environment in in vitro and in vivo tests leads to the production of a particular ecosystem in which the active roles perform both, the material surface and the extracellular matrix protein forming a biofilm. Proteins affect cell and bacteria adhesion processes, biological activity of cells and activation of inflammatory response.The knowledge of the reaction mechanisms active on...
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Platelet RNA Sequencing Data Through the Lens of Machine Learning
PublikacjaLiquid biopsies offer minimally invasive diagnosis and monitoring of cancer disease. This biosource is often analyzed using sequencing, which generates highly complex data that can be used using machine learning tools. Nevertheless, validating the clinical applications of such methods is challenging. It requires: (a) using data from many patients; (b) verifying potential bias concerning sample collection; and (c) adding interpretability...
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Driver’s Condition Detection System Using Multimodal Imaging and Machine Learning Algorithms
PublikacjaTo this day, driver fatigue remains one of the most significant causes of road accidents. In this paper, a novel way of detecting and monitoring a driver’s physical state has been proposed. The goal of the system was to make use of multimodal imaging from RGB and thermal cameras working simultaneously to monitor the driver’s current condition. A custom dataset was created consisting of thermal and RGB video samples. Acquired data...
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublikacjaZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors
PublikacjaWe present a physics-based machine learning approach to predict in vitro transcription factor binding affinities from structural and mechanical DNA properties directly derived from atomistic molecular dynamics simulations. The method is able to predict affinities obtained with techniques as different as uPBM, gcPBM and HT-SELEX with an excellent performance, much better than existing algorithms. Due to its nature, the method can...
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Earthquake-induced pounding between equal height multi-storey buildings considering soil-structure interaction
PublikacjaThe present paper investigates the coupled effect of the supporting soil flexibility and pounding between neighbouring, insufficiently separated equal height buildings under earthquake excitation. Two adjacent three-storey structures, modelled as inelastic lumped mass systems with different structural characteristics, have been considered in the study. The models have been excited using a suit of ground motions with different peak...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublikacjaThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Diamond Nanofilm Normalizes Proliferation and Metabolism in Liver Cancer Cells
PublikacjaPurpose: Surgical resection of hepatocellular carcinoma can be associated with recurrence resulting from the degeneration of residual volume of the liver. The objective was to assess the possibility of using a biocompatible nanofilm, made of a colloid of diamond nanoparticles (nfND), to fill the side after tumour resection and optimize its contact with proliferating liver cells, minimizing their cancerous transformation. Methods:...
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Role of Human UDP-Glucuronosyltransferases in the Biotransformation of the Triazoloacridinone and Imidazoacridinone Antitumor Agents C-1305 and C-1311 : Highly Selective Substrates for UGT1A10
Publikacja5-Diethylaminoethylamino-8-hydroxyimidazoacridinone, C-1311 (NSC-645809), is an antitumor agent shown to be effective against breast cancer in phase II clinical trials. A similar compound, 5-dimethylaminopropylamino-8-hydroxytriazoloacridinone, C-1305, shows high activity against experimental tumors and is expected to have even more beneficial pharmacological properties than C-1311. Previously published studies showed that these...
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THE GENE CLONING, OVEREXPRESSION, PURIFICATION AND BIOCHEMICAL CHARACTERISATION OF A NEW COLD-ADAPTED β–GALACTOSIDASE FROM ARTHROBACTER SP. VII-4
PublikacjaINTRODUCTION. β-Galactosidase [EC 3.2.1.23] is an enzyme that catalyzes the hydrolysis of O-glycosidic linkages in galactosides. It is commercially used in dairy industry for the production of milk with reduced lactose content. Potentially, the best method for lactose removal under cooling conditions should be carried out with a cold-adapted enzyme. AIM. The aim of this study was to determine the taxonomic affiliation of the isolate...
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Molecular identification and genotyping of Staphylococci: genus, species, strains, colnes, lineages, and interspecies exchanges
PublikacjaStaphylococci are increasingly recognized as etiological agents of many opportunistic human and animal infections, emphasizing the need for a rapid and accurate identification, even to a genotypical level of these bacteria. In the recent years, there has been a significant progress in typing and phylogenetic study of Staphylococcus species. Here, we describe molecular methods used in taxonomy as well as staphylococci characterization....