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Dynamic Data Management Among Multiple Databases for Optimization of Parallel Computations in Heterogeneous HPC Systems
PublicationRapid development of diverse computer architectures and hardware accelerators caused that designing parallel systems faces new problems resulting from their heterogeneity. Our implementation of a parallel system called KernelHive allows to efficiently run applications in a heterogeneous environment consisting of multiple collections of nodes with different types of computing devices. The execution engine of the system is open for...
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Hydration of simple amides. FTIR spectra of HDO and theoretical studies
PublicationZastosowano metodę ważonych widm różnicowych do opisu hydratacji amidów w roztworach wodnych: formamidu, N-metyloformamidu, N,N-dimetyloformaidu, acetamidu, N-metyloacetamidu, N,N-dimetyloacetamidu. Narzędziem wspomagającym interpretację wyników eksperymentalnych są struktury agregatów solwatacyjnych wokół cząsteczki substancji rozpuszczonej uzyskane na podstawie obliczeń teoretycznych metodą ab initio z korelacją elektronową...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Atom-economic thiophosphoroselenenylations of C–H acid esters and amides
PublicationThree improved thiophosphoroselenenylation procedures of CHacids, including derivatives of malonic and acetyl-, phosphono-, 4-nitrophenyl- and 3-pyridylacetic acids, have been described and compared to previously reported thiophosphoroselenylation of diethyl malonate using bis(disopropoxyphosphinothioyl)diselenide alone or with the aid of methyl iodide. The use of iodine makes it possible to utilize both equivalents of the selenenylating...
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Challenges of Comparing Marine Microbiome Community Composition Data Provided by Different Commercial Laboratories and Classification Databases
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Novel amides of mycophenolic acid and some heterocyclic derivatives as immunosuppressive agents
PublicationThe group of new amide derivatives of mycophenolic acid (MPA) and selected heterocyclic amines was synthesised as potential immunosuppressive agents functioning as inosine-5'-monophosphate dehydrogenase (IMPDH) uncompetitive inhibitors. The synthesis employed uronium-type activating system (TBTU/HOBt/DIPEA) while or phosphonic acid anhydride method (T3P/Py) facilitating amides to be obtained in moderate to excellent yields without...
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A convenient method for the preparation of functionalized N-acylsulfenamides from primary amides.
PublicationWe have developed a convenient method for the synthesis of functionalized N-acylsulfenamides under mild conditions and in moderate to good yields. The designed method is based on the reaction of (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)-disulfanyl derivatives with nitrogen nucleophiles generated from primary amides or imides and sodium hydride. The developed method allows for the preparation of N-acylsulfenamides bearing...
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Clinical Course and Severity of COVID-19 in 940 Infants with and without Comorbidities Hospitalized in 2020 and 2021: The Results of the National Multicenter Database SARSTer-PED
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Anion binding by p-aminoazobenzene-derived aromatic amides: spectroscopic and electrochemical studies
PublicationThe synthesis and complexing properties of p-aminoazobenzene-derived mono-, bis-, and trisamides were described. Ligands 3 and 4 bind anions, including fluorides, chlorides, bromides, acetates, benzoates, dihydrogen phosphates, hydrogen sulfates, and p-toluenesulfonates, in chloroform forming 1 : 1 complexes. The highest value of stability constant was evaluated for the 4-F− complex (log K = 5.63 ± 0.21). On the basis of 1H NMR,...
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Metabolic responses to a 48-h ultra-marathon run in middle-aged male amateur runners
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Ion-selective electrodes based on p-tert-butyl-homooxacalixarene di(ethyl) amides
PublicationPochodne dietyloamidowe p-tert-butylodihomooksakaliks[4]arenu (1), p-tert-butyloheksahomotrioksakaliks[3]arenu (2) oraz p-tert-butylokaliks[4]arenu (3) były wykorzystane jako materiał aktywny w membranach elektrod jonoselektywnych w celu sprawdzenia detekcji kationów różnych rodzajów (Na+, K+, Cs+, Mg2+, Ca2+, Mn2+, Cu2+, Zn2+, Cd2+, Pb2+ oraz kation tetrametyloammoniowy). Wyznaczono charakterystyki elektrod oraz współczynniki...
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Ion-selective electrodes based on p-tert-butyl-homooxacalixarene di(ethyl)amides
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublicationCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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Amides as models to study the hydration of proteins and peptides — spectroscopic and theoretical approach on hydration in various temperatures
PublicationInteractions with water are one of the key factors which determine protein stability and activity in aqueous solutions. However, the protein hydration is still insufficiently understood. N-methylacetamide (NMA) is regarded as a minimal part of the peptide backbone and the relative simplicity of its structure makes it a good model for studies on protein–water interactions. In this paper, the influence of NMA and N,N-dimethylacetamide...
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Exploring the Reactivity of Unsymmetrical Diphosphanes toward Heterocumulenes: Access to Phosphanyl and Phosphoryl Derivatives of Amides, Imines, and Iminoamides
PublicationWe present a comprehensive study on the diphosphanation of iso(thio)cyanates by unsymmetrical diphosphanes. The reactions involving unsymmetrical diphosphanes and phenyl isocyanate or phenyl thioisocyanate gave rise to phosphanyl, phosphoryl, and thiophosphoryl derivatives of amides, imines, and iminoamides. The structures of the diphosphanation products were confirmed through NMR spectroscopy, IR spectroscopy, and single-crystal...
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Direct conversion of secondary phosphine oxides and H-phosphinates with [di(acyloxy)iodo]benzenes to phosphinic and phosphonic amides
PublicationW publikacji przedstawiono metodę pozwalająca na bezpośrednie otrzymywanie amidów kwasu fosfinowego i fosfonowego w reakcji drugorzędowych tlenków fosfin lub H-fosfinianów z [di(acyloksy)iodo]benzenami w obecności amin pierwszo lub drugorzędowych. Wykorzytując silne acylujące właściwości układu [di(acyloksy)iodo]benzen/R2P(O)H.
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Synthesis, anticandidal activity of N3-(4-methoxyfumaroyl)-(S)-2,3-diaminopropanoic amide derivatives – Novel inhibitors of glucosamine-6-phosphate synthase
PublicationNovel FMDP amiders 4-6 have been synthesized and tested against Candida strains. The anticandidal activity has been confined only to Candida albicans. Anticandidal activity of the tested amides has correlated with their inhibitory activity of glucosamine-6-phosphate synthase in cell free extract from Candida albicans.
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Manganese(III) Promoted Cyclization of N-alkenyl-N-(2-hydroxyethyl) amides to Iso-Oxacepham Potent β-Lactamase Inhibitors
PublicationBackground: β-Lactams are still a subject of interest of organic chemists. The main reason for this interest is due to their application as a chemotherapeutic. β-Lactam antibiotics are still the most commonly used drugs in bacterial infections. Method: Methods using 4-exo-trig radical cyclization leading to β-lactams are an alternative to classical Staudinger`s β-Lactams formation. We prepared N-alkenyl-N-(2-hydroxyethyl)amides...
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Ocena warunków nasłonecznienia i projektowanie elektrowni słonecznych z wykorzystaniem dedykowanego oprogramowania oraz baz danych
PublicationPrzytoczono typowe dla obszaru Polski wartości nasłonecznienia. Zaprezentowano sposoby dokładniejszego określenia wartości nasłonecznienia w oparciu o bazy danych o nasłonecznieniu i aplikacje komputerowe. Narzędzia te pozwalają w pełniejszy sposób uwzględnić kąt nachylenia i azymut modułów fotowoltaicznych, linię horyzontu i zacienienie oraz zmienność nasłonecznienia w ciągu roku na podstawie statystycznych wartości nasłonecznia...
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The effect of lyophilization on selected biologically active components (vitamin c, catalase, lysozyme), total antioxidant capacity and lipid oxidation in human milk
PublicationHuman milk is rich in polyunsaturated fatty acids, as well as lysozyme, vitamin C and other bioactive compounds. The effect of lyophilization on the content of antioxidants (vitamin C and catalase CAT), bactericidal compounds (lysozyme), total antioxidant capacity (TAC) and lipid peroxidation in human milk was investigated in this study. Samples of mature human milk were collected from five healthy women who gave birth on the scheduled...
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BASECOL2023 scientific content
PublicationContext. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...
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Levels of hemoglobin and lipid peroxidation metabolites in blood, catalase activity in erythrocytes and peak expiratory flow rate in subjects with passive exposure to tobacco smoke
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Z informacji naukowej – rossica i sovietica w bibliografii piśmiennictwa polskiego. Bibliograficzna baza danych za lata 1862–2015 [On scholarly information – Rossica and Sovietica in the bibliography of Polish writings. Bibliographical database fo the years 1862–2015]
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Acquisition and indexing of RGB-D recordings for facial expressions and emotion recognition
PublicationIn this paper KinectRecorder comprehensive tool is described which provides for convenient and fast acquisition, indexing and storing of RGB-D video streams from Microsoft Kinect sensor. The application is especially useful as a supporting tool for creation of fully indexed databases of facial expressions and emotions that can be further used for learning and testing of emotion recognition algorithms for affect-aware applications....
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GIS three-dimensional Modelling with geo-informatics techniques
PublicationThe integration issue of virtual models and geo-referenced database have a very broad spectrum of potential applications. Before the integration issue was on the cusp, it was quite problematic to combine three-dimensional models with the geo-referenced database. An integrated database contains a variety of data including such as object orientated data model and raster data. Within this paper, authors present an integration process...
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Lower rim substituted tert-butylcalix[4]arenes. Part 10. New Pb(II)-selective electrodes based on tetrasubstituted calix[4]arenes amides
PublicationOpracowano elektrody selektywne na jony Pb(II) oparte na lipofilowych tetrapodstawionych amidowych pochodnych kaliks[4] arenu. Charakterystyki elektrod mają nachylenie nernstowskie w szerokim zakresie stężeń 10 (-1.3) do 10 (-7.2).
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Lower-rim-substituted tert-butylcalix[4]arenes. Part IX: one-pot synthesis of calix[4]arene-hydroxamates and calix[4]arene-amides
PublicationZaprezentowano prostą metodę selektywnej acylacji podstawionych i niepodstawionych hydroksyloamin za pomocą di i tetra podstawionych kaliks{4]aren-kwasów. Pokazano pierwszą strukturę krystalograficzną kaliks-hydroksyamidu.
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Automatic music signal mixing system based on one-dimensional Wave-U-Net autoencoders
PublicationThe purpose of this paper is to show a music mixing system that is capable of automatically mixing separate raw recordings with good quality regardless of the music genre. This work recalls selected methods for automatic audio mixing first. Then, a novel deep model based on one-dimensional Wave-U-Net autoencoders is proposed for automatic music mixing. The model is trained on a custom-prepared database. Mixes created using the...
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DUABI - Business Intelligence Architecture for Dual Perspective Analytics
PublicationA significant expansion of Big Data and NoSQL databases made it necessary to develop new architectures for Business Intelligence systems based on data organized in a non-relational way. There are many novel solutions combining Big Data technologies with Data Warehousing. However, the proposed solutions are often not sufficient enough to meet the increasing business demands, such as low data latency while still maintaining high...
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Musical Instrument Separation Applied to Music Genre Classification . Separacja instrumentów muzycznych w zastosowaniu do rozpoznawania gatunków muzycznych
PublicationThis paper outlines first issues related to music genre classification and a short description of algorithms used for musical instrument separation. Also, the paper presents proposed optimization of the feature vectors used for music genre recognition. Then, the ability of decision algorithms to properly recognize music genres is discussed based on two databases. In addition, results are cited for another database with regard to...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Automatic audio signal mixing system based on one-dimensional Wave-U-Net autoencoders
PublicationThe purpose of this dissertation is to develop an automatic song mixing system that is capable of automatically mixing a song with good quality in any music genre. This work recalls first the audio signal processing methods used in audio mixing, and it describes selected methods for automatic audio mixing. Then, a novel architecture built based on one-dimensional Wave-U-Net autoencoders is proposed for automatic music mixing. Models...
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EvOLAP Graph – Evolution and OLAP-Aware Graph Data Model
PublicationThe objective of this paper is to propose a graph model that would be suitable for providing OLAP features on graph databases. The included features allow for a multidimensional and multilevel view on data and support analytical queries on operational and historical graph data. In contrast to many existing approaches tailored for static graphs, the paper addresses the issue for the changing graph schema. The model, named Evolution...
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Semantic technologies based method of collection, processing and sharing information along food chain
PublicationIn the paper the method of collecting, processing and sharing information along food chain is presented. Innovative features of that method result from advantages of data engineering based on semantic technologies. The source to build ontology are standards and regulations related to food production, and data collected in databases owned by food chain participants. It allows food chain information resources can be represented in...
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The control software of the portable raman spectrometer
PublicationThe paper contains a description of the control software of a portable Raman spectrometer which was built in the Department of Optoelectronics and Electronic Systems Faculty of Electronics, Telecommunications and Informatics Gdansk University of Technology. The software has modular structure, which includes the laser control module and the spectrum acquisition module (laser power selection, working mode and data acquisition time)...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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THE 3D MODEL OF WATER SUPPLY NETWORK WITH APPLICATION OF THE ELEVATION DATA
Publication3D visualization is a key element of research and analysis and as the source used by experts in various fields e.g.: experts from water and sewage systems. The aim of this study was to visualize in three-dimensional space model of water supply network with relief. The path of technological development of GESUT data (Geodezyjna Ewidencja Sieci Uzbrojenia Terenu – geodetic records of public utilities) for water supply and measurement...
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Real and Virtual Instruments in Machine Learning – Training and Comparison of Classification Results
PublicationThe 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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Gender Disparity in the FinTech Sector: Systematic Literature Review
PublicationThe main objective of this chapter is to identify research areas of FinTech activity in which gender disparity has been observed. In addition, we shall identify how the development of FinTech reduces the gender gap. A systematic literature review using the PRISMA concept is the preferred research method. Publications were searched in the following databases: Web of Science, Scopus and Google Scholar using the formula “FinTech AND...
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Using Redis supported by NVRAM in HPC applications
PublicationNowadays, the efficiency of storage systems is a bottleneck in many modern HPC clusters. High performance in the traditional approach – processing using files – is often difficult to obtain because of a model’s complexity and its read/write patterns. An alternative approach is to apply a key-value database, which usually has low latency and scales well. On the other hand, many key-value stores suffer from a limitation of memory...
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Knowledge base views
PublicationThe paper introduces an extension to the NeeK language. In the current shape NeeK allows for selection of fragments of a given ontology. The selected part is automatically mapped to a database schema by Data Views implementation. Experience with a real system using Data Views has shown that the resulting database schema does not necessarily reflect the needs of the business logic of an application that uses a specific Data View....
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A framework estimating the minimum sample size and margin of error for maritime quantitative risk analysis
PublicationThe average accident frequency is essential for quantitative risk analysis and is conventionally estimated from accident statistics. This paper has systematically synthesised the knowledge on statistical errors and offered the missing instructions, a framework, for determining the minimum sample size and the margin of error (MOE) when calculating the average accident frequency from an accident database at hand. We have applied...
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Harmonization and Quality Assurance of Income and Wealth Data: The Case of LIS.
PublicationComparability of concepts in survey data harmonization is essential for scientific analyses. LIS – also known as the Luxembourg Income Study or LIS Cross-National Data Center in Luxembourg – acquires and harmonizes income and wealth microdata to provide the scientific community with a comparable database that is unique in the world in its growing temporal and geographic breadth. Over many decades, scholars worldwide have used the...
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Postprodukcja nagrania wideo z dzwiekiem dookolnym
PublicationOne of the aims of this paper is to present issues related to audio-video correlation. This is presented on the basis of a short film realization employing surround microphone techniques. First, some related works in the domain of sound and vision correlation are presented. Then assumptions concerning scene creation related to both audio and video are shortly described. Another objective is to discuss results of subjective tests...
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A system of visualization of operational situation on digital maps for mobile units of the Border Guards
PublicationBorder guards have to be equipped with technology enabling a communication, an acquisition, an exchange, and a visualization of data in different operational situations. This also applies to the staff, which is located on mobile units such as ground vehicles, aircrafts and vessels. Within the project realized for the Polish Border Guard and financed by The National Centre for Research and Development, a system was designed and...
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Zadania i kompetencje bibliotekarzy w zespole ds. polityk wydawniczych polskich czasopism naukowych
PublicationCelem artykułu jest zaprezentowanie doświadczenia zawodowego zdobytego przez bibliotekarzy z zespołu ds. polityk wydawniczych polskich czasopism naukowych. Omówiono w nim obowiązki służbowe związane z pracą wykonywaną w projekcie MOST Danych, realizowanym przez Politechnikę Gdańską wraz z partnerami. Artykuł uwzględnia także opis podstawowych funkcji przedstawionej bazy i zastosowanych w niej nowatorskich rozwiązań.
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Assessing the attractiveness of human face based on machine learning
PublicationThe attractiveness of the face plays an important role in everyday life, especially in the modern world where social media and the Internet surround us. In this study, an attempt to assess the attractiveness of a face by machine learning is shown. Attractiveness is determined by three deep models whose sum of predictions is the final score. Two annotated datasets available in the literature are employed for training and testing...
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Super-resolved Thermal Imagery for High-accuracy Facial Areas Detection and Analysis
PublicationIn this study, we evaluate various Convolutional Neural Networks based Super-Resolution (SR) models to improve facial areas detection in thermal images. In particular, we analyze the influence of selected spatiotemporal properties of thermal image sequences on detection accuracy. For this purpose, a thermal face database was acquired for 40 volunteers. Contrary to most of existing thermal databases of faces, we publish our dataset...
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Immunosuppressive properties of amino acid and peptide derivatives of mycophenolic acid
PublicationMycophenolic acid (MPA) was coupled with amino acids and biologically active peptides including derivatives of tuftsin to modify its immunosuppressive properties. Both amino acid unit in the case of simple MPA amides and modifications within peptide moiety of MPA - tuftsin conjugates influenced the observed activity. Antiproliferative potential of the obtained conjugates was investigated in vitro and MPA amides with threonine methyl...
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Use of structural equation modeling in quantitative research in the field of management and economics: A bibliometric analysis in the systematic literature review
PublicationPURPOSE: This paper aims to provide a comprehensive review of scholarly research focusing on using quantitative methods and particularly structural equation modeling (SEM) in management and economics studies, as well as provide a bibliometric agenda including the time horizon of individual publications, the highest citation rate, geographic and industry areas, methodological context, and keywords. METHODOLOGY: A systematic literature...