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Search results for: fractional derivations
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Pharmacological Profile and Molecular Modeling of Cyclic Opioid Analogues Incorporating Various Phenylalanine Derivatives
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Chemometric analysis of UV-Vis spektra of associated forms of Amphotericin B and its derivatives
PublicationPrzedmiotem badań był proces agregacji nowych pochodnych antybiotyku polienowego Amfoterycyny B. Do śledzenia procesu agregacji wykorzystano spektroskopię absorpcyjną w zakresie widzialnym i bliskiego nadfioletu. Zastosowanie zaawansowanych technik chemometrycznych pozwoliło na dogłębną analizę agregacji tych pochodnych, co pozwoliło na wyciągniecie następujacych wniosków: i) w przypadku wszystkich pochodnych przy stężeniach poniżej...
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Improving the regulation of the derivatives market as an objective prerequisite for sustainable development of the global financial system
PublicationThe development of financial markets is characterized by the emergence of new financial instruments, in particular derivatives, the risk level analysis of which is complicated. Counterparties are not always fully aware of and do not adequately assess the potential risks of derivatives, which may lead to large financial losses and sometimes bankruptcies. The purpose of the study is to generalize approaches to regulating derivative...
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Tetrahydroquinolinone derivatives exert antiproliferative effect on lung cancer cells through apoptosis induction
PublicationThe anticancer properties of quinolones is a topic of interest among researchers in the scientific world. Because these compounds do not cause side effects, unlike the commonly used cytostatics, they are considered a promising source of new anticancer drugs. In this work, we designed a brief synthetic pathway and obtained a series of novel 8-phenyltetrahydroquinolinone derivatives functionalized with benzyl-type moieties at position...
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Monosubstituted hydrazone β-cyclodextrin derivatives for pH-sensitive complex formation with aromatic drugs
PublicationA new and convenient synthetic pathway was developed to produce monosubstituted cyclodextrins with high yields. Each of the β-cyclodextrin derivatives described in this work has an aromatic substituent connected with cyclodextrin core by a pH-sensitive hydrazone linker and a carbon chain. Carbon chains differ in lengths having one or three carbon atoms. The correlation between water solubility and linker length was determined using...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublicationAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Novel N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives: synthesis and anticancer activity evaluation
PublicationA new series of N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives 4-21 have been synthesized, and evaluated at the National Cancer Institute (USA) for their in vitro activities against a panel of 60 different human cancer cell lines. Among them, compounds 16, 20 and 21 exhibited remarkable cytotoxic activity against numerous human cancer cell lines. We found that sulfonamide derivative 21 appeared to be more selective...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublicationIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
PublicationA series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All...
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Xanthone synthetic derivatives with high anticandidal activity and positive mycostatic selectivity index values
PublicationWith the current massive increases in drug-resistant microbial infection as well as the significant role of fungal infections in the death toll of COVID-19, discovering new antifungals is extremely important. Natural and synthetic xanthones are promising derivatives, although only few reports have demonstrated their antifungal mechanism of action in detail. Newly synthetized by us xanthone derivative 44 exhibited strong antifungal...
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The products of electro- and photochemical oxidation of 2-hydroxyacridinone, the reference compound of antitumor imidazoacridinone derivatives
PublicationBadano reakcje elektrochemicznego utleniania 2-hydroksyakrydonu, związku modelowego aktywnych przeciwnowotworowo pochodnych imidazoakrydonu. Do badań zastosowano metody woltamperometrii cyklicznej, metodę spektroelektrochemiczną oraz elektrolizę przy kontrolowanym potencjale. Badano też reakcje fotochemicznego utleniania. Badania prowadzono w ramach szerszego problemu poznania przemian aktywacji metabolicznej pochodnych hydroksyakrydonu...
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Knowledge-based functional safety and security management in hazardous industrial plants with emphasis on human factors
PublicationExisting and emerging new hazards have significant potential to impact destructively operation of technical systems, hazardous plants, and systems / networks of critical infrastructure. The programmable control and protection systems play nowadays an important role in reducing and controlling risk in the process of hazardous plant operation. It is outlined how to deal with security related hazards concerning such systems to be...
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Functional Components Enhancing Clients Attractiveness and Commercial Profitability of Internet Tourist-oriented Commercial Websites
PublicationTourism constitutes an important branch of economy in Mediterranean countries. Great number of people spend or are planning to spend their free time in the Mediterranean area. Extensive rentals of private apartments or houses for individual persons and their families as well as all kinds of services provided for tourists, in result, generate substantial economical incomes. Variety and diversity of offers of private accommodations...
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Kinetics study of the fully bio-based poly(propylene succinate) synthesis. Functional group approach
PublicationCurrently, the increasing importance of the bio-based chemical compounds development is visible in the polymer chemistry, chemical engineering and materials science. It is well-known that the various purity level and different contaminants characterize petrochemical-based compounds compared to their biobased counterparts. Therefore, it is necessary to find out the contaminants impact on the bio-based monomers synthesis. One of...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Adsorption of a metalorganic complex at a metal surface: A density functional theory study vs. model description
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Circular Dichroism Imaging: Mapping the Local Supramolecular Order in Thin Films of Chiral Functional Polymers
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<title>Functional analysis of DSP blocks in FPGA chips for applications in TESLA LLRF system</title>
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Matrix Strengthening the Identification of Observations with Split Functional Models in the Squared Msplit(q) Estimation Process
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Fermented Tea as a Food with Functional Value—Its Microbiological Profile, Antioxidant Potential and Phytochemical Composition
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The Effects of Textural Parameters of Zeolite and Silica Materials on the Protective and Functional Properties of Polymeric Nonwoven Composites
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Combined effect of nitrogen-doped functional groups and porosity of porous carbons on electrochemical performance of supercapacitors
PublicationIn this work, nitrogen-doped porous carbons obtained from chitosan, gelatine, and green algae were investigated in their role as supercapacitor electrodes. The effects of three factors on electrochemical performance have been studied— of the specific surface area, functional groups, and a porous structure. Varying nitrogen contents (from 5.46 to 10.08 wt.%) and specific surface areas (from 532 to 1095 m2g−1) were obtained by modifying...
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A New Approach to Assess Quality of Motion in Functional Task of Upper Limb in Duchenne Muscular Dystrophy
Publication(1) Background: This study presents a new method for the motion quantitative analysis of Duchenne muscular dystrophy patients (DMD) performing functional tasks in clinical conditions. (2) Methods: An experimental study was designed to define how different levels of external mass (light and heavy) influence the performance of the upper limbs of a tested DMD and reference subject (RS) during horizontal movements (level of the waist)...
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Multi-functional sensor based on photonic crystal fiber using plasmonic material and magnetic fluid
PublicationA unique highly sensitive photonic crystal fiber is investigated based on plasmonic material and magnetic fluid (MF) for the simultaneous measurement of temperature and magnetic field sensor. The designed sensor is explored by tracing the different parameters such as birefringence, coupling length, power spectrum, and the peak wavelength of the transmission intensity. The magnetic field and temperature computation are attained...
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Matrix Strengthening the Identification of Observations with Split Functional Models in the Squared Msplit(q) Estimation Process
PublicationThis article addresses the issue of raising the level of identification of observations with either single or more split functional models in the squared Msplit(q) estimation process. The theoretical part of the study presents the theoretical grounds for the classical method for estimating parameters in a split functional model and proposes a modification of the computational algorithm to increase the quality of the determinations...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Evaluation of quality of electric power distribution network elements in order to maintain functional and technical safety
PublicationPraca dotyczy wieloatrybutowego systemu oceny elementów sieci elektroenergetycznej do celów zapewnienia jej bezpieczeństwa funkcjonalnego i technicznego. Rozważana sieć składa się z dużej liczby elementów, ocenianych jakościowo i ilościowo. Zaproponowana metoda składa się z dwóch etapów: (i)wstępnego wyboru niewielkiej liczby elementów niebezpiecznych w oparciu o małą liczbę informacji (ii) wykonaniu uszeregowania wybranych elementów...
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THE EFFECT OF ALTERNATIVE CUTTER PATHS ON FLATNESS DEVIATIONS IN THE FACE MILLING OF ALUMINUM PLATE PARTS
PublicationIn this paper the relationships between the alternative machining paths and flatness deviations of the aluminum plate part, were presented. The flatness tolerance of the main surface of the plate part has crucial meaning due to the assembly requirement of piezoelectric elements on the radiator. The aluminum bodies under investigation are the base part of the radiators with crimped feathers for the train industry. The surface of...
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Mesenchymal Phenotype of CTC-Enriched Blood Fraction and Lymph Node Metastasis Formation Potential
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The experimental study of compaction parameters and elastic after-effect of fine fraction raw materials
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New trends in the analysis of the volatile fraction of matrices of vegetable origin: a short overview. A review.
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The Evaluation of Quality of the Co-Firing Process of Glycerine Fraction with Coal in the High Power Boiler
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublicationApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Comparison of Absorbed and Intercepted Fractions of PAR for Individual Trees Based on Radiative Transfer Model Simulations
PublicationThe fraction of absorbed photosynthetically active radiation (fAPAR) is a key parameter for estimating the gross primary production (GPP) of trees. For continuous, dense forest canopies, fAPAR, is often equated with the intercepted fraction, fIPAR. This assumption is not valid for individual trees in urban environments or parkland settings where the canopy is sparse and there are well-defined tree crown boundaries. Here, the distinction...
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Synthesis and biological activity of ester derivatives of mycophenolic acid and acridines/acridones as potential immunosuppressive agents
PublicationImproved derivatives of mycophenolic acid (MPA) are necessary to reduce the frequency of adverse effects, this drug exerts in treated patients. In this study, MPA was coupled with N-(x-hydroxyalkyl)-9-acridone-4-carboxamides or N-(x-hydroxyalkyl)acridine-4-carboxamides to give respective ester conjugates upon Yamaguchi protocol. This esterification required protection of phenol group in MPA. Designed conjugates revealed higher...
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Synthesis and biological activity of novel mycophenolic acid conjugates containing nitro-acridine/acridone derivatives
PublicationOpracowano warunki reakcji kwasu mykofenolowego z aminowymi pochodnymi akrydyn i akrydonów. Tak otrzymane koniugaty zostały scharakteryzowane, a następnie przebadane in vitro pod względem aktywności przeciwbiałaczkowej oraz immunosupresyjnej.
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Fragmental Method KowWIN as the Powerful Tool for Prediction of Chromatographic Behavior of Novel Bioactive Urea Derivatives
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The oxydiacetate and iminodiacetate complexes of oxidovanadium(IV) as the new series of the catalysts for the oligomerization of beta-olefin derivatives
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Chromogenic complexes and selective preconcentration of Fe(III) and Cu(II) by hydroxynaphthoyl-1,4,7,10-tetraazacyclododecane derivatives
PublicationSpektroskopowe oznaczanie zawartości jonów żelaza w różnych próbkach środowiskowych jest przedmiotem wieloletnich badań. Pomimo tego ciągle poszukuje się selektywnych odczynników zdolnych do tworzenia kompleksów z jonami żelaza(II) lub żelaza(III). 1,4,7,10-tetraazacyklododekan nie tworzy kompleksów z jonami żelaza, ale wprowadzając stosowne podstawniki można uzyskać właściwe ligandy. W reakcji acylowania otrzymano 1-(1-hydroksy-2-naftoilo)-1,4,7,10-tetraazacyklododekan...
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The organophosphorus sulfenyl bromides as versatile reagents for cysteine derivatives functionalization by unsymmetrical disulfide bond formation
PublicationWe have developed a convenient method for the synthesis of L-cysteine unsymmetrical disulfides under mild conditions with good to excellent yields. Described method is based on the straightforward preparation of the organophosphorus sulfenyl bromide readily available from bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl) disulfide. The unsymmetrical disulfides can be obtained for L-cysteine derivatives and thiols bearing neutral...
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The new esters derivatives of betulin and betulinic acid in epidermoid squamous carcinoma treatment – In vitro studies
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Genetic and lifestyle variables associated with homocysteine concentrations and the distribution of folate derivatives in healthy premenopausal women
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Experimental and theoretical studies of spectroscopic properties of simple symmetrically substituted diphenylbuta-1,3-diyne derivatives
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Determining the true content of quercetin and its derivatives in plants employing SSDM and LC–MS analysis
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New chiral discotics with helical organization of the mesophase—liquid crystalline derivatives of dibenzotetraaza[14]annulene
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Molecular dynamics study on the influence of C-terminal sugar substitution on dynamics and conformation of vancomycin derivatives
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New D−π–D−π–A Systems Based on Phenothiazine Derivatives with Imidazole Structures for Photovoltaics
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Carboxymethylated starch and cellulose derivatives-based film as human skin equivalent for adhesive properties testing
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Estimation of interior-permanent-magnet-synchronous-motor rotor position by analysis of phase-current derivatives
PublicationThis paper describes an algorithm for estimation of IPMSM rotor angular position. The algorithm uses derivatives of motor phase currents resulting from PWM modulation to obtain the rotor position. The presented method is designed for medium- and high-speed range, since it is based on determination of the EMF vector. Calculation of the motor position is performed in every PWM cycle. The standard SV-PWM method is used to determine...