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Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study
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Theoretical Studies on the Structure, Stability, Ability To Undergo Internal Transformations, and Tautomerization, as Well as Reactivity, of H2PPH2 and HPPH3 Molecules
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A method for evaluating theoretical and real operation of diesel engines in energy conversion formulation taking into account their operating indices
PublicationPrzedstawiono propozycję wartościowania (ilościowego określenia z uwzględnieniem wskaźników) działania dowolnego silnika o zapłonie samoczynnym, na przykładzie okrętowego silnika głównego, w którym zachodzą przemiany energetyczne w określonym czasie. Działanie to rozumiane jest jako przekazywanie energii śrubie napędowej w ustalonym czasie, w którym zachodzi przetwarzanie i przenoszenie energii w formie pracy bądź ciepła. Wartościowanie...
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Verification of the theoretical methods for the prediction of resistance of sailing yachts based on model test results of a yacht V.O.60
PublicationWeryfikacja opiera się głównie na serii systematycznych badań modelowych wykonanych w roku 2001 w Laboratorium Hydromechaniki Okrętu WOIO PG. Zademonstrowano prognozy oporu jachtu wykonane trzema metodami z oszacowaniem i dyskusją rozbieżności wyników. Przeprowadzone badania są zorientowane na opracowanie wiarygodnego programu komputerowego dla prognozowania prędkości i innych parametrów ruchu żaglowych, regatowych jachtów oceanicznych...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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3D MODELLING OF CYLINDRICAL-SHAPED OBJECTS FROM LIDAR DATA - AN ASSESSMENT BASED ON THEORETICAL MODELLING AND EXPERIMENTAL DATA
PublicationDespite the increasing availability of measured laser scanning data and their widespread use, there is still the problem of rapid and correct numerical interpretation of results. This is due to the large number of observations that carry similar information. Therefore, it is necessary to extract from the results only the essential features of the modelled objects. Usually, it is based on a process using filtration, followed by...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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On the Possibilities of Decreasing Power Loss in Large Tilting Pad Thrust Bearings
PublicationJournal Menu About this Journal Abstracting and Indexing Aims and Scope Article Processing Charges Articles in Press Author Guidelines Bibliographic Information Citations to this Journal Contact Information Editorial Board Editorial Workflow Free eTOC Alerts Publication Ethics Submit a Manuscript Table of Contents Abstract Full-Text PDF Full-Text HTML...
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The experimental evaluation and modeling of SBR removing nutrients under varied aeration conditions
PublicationSequencing batch reactors (SBR) are mainly characterized by sequential process phases of fill, react, settle, decant and idle periods that allow considerable flexibility in the design and operation in different conditions. This flexibility and the unique features of SBRs used to wastewater treatment by activated sludge systems operated in laboratory scale, allow not only conducting experiments for the standard conditions but also...
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Catheter-induced coronary artery and aortic dissections. A study of the mechanisms, risk factors, and propagation causes
PublicationBackground: Only the incidence, management, and prognosis of catheter-induced coronary artery and aortic dissections have been systematically studied until now. We sought to evaluate their mechanisms, risk factors, and propagation causes. Methods: Electronic databases containing 76,104 procedures and complication registries from 2000– –2020 were searched and relevant cineangiographic studies adjudicated. Results: Ninety-six dissections...
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Innovations in Wastewater Treatment: Harnessing Mathematical Modeling and Computer Simulations with Cutting-Edge Technologies and Advanced Control Systems
PublicationThe wastewater treatment landscape in Central Europe, particularly in Poland, has undergone a profound transformation due to European Union (EU) integration. Fueled by EU funding and rapid technological advancements, wastewater treatment plants (WWTPs) have adopted cutting-edge control methods to adhere to EU Water Framework Directive mandates. WWTPs contend with complexities such as variable flow rates, temperature fluctuations,...
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublicationThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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CO2 capture through direct-contact condensation in a spray ejector condenser and T- junction separator
PublicationThe design principle underlying the steam condensation and CO2 purification in a gas power plant with a focus on reducing CO2 emissions encompasses the deployment of a spray ejector condenser (SEC) and separator. This innovative system facilitates direct-contact condensation of steam with non-condensable gas (CO2) by inter acting with a spray of subcooled water, seamlessly integrated with a T-junction separator mechanism aimed...
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The microbial community, its biochemical potential, and the antimicrobial resistance of Enterococcus spp. in Arctic lakes under natural and anthropogenic impact (West Spitsbergen)
PublicationThe sustainable management of small human communities in the Arctic is challenging. In this study, both a water supply system (Lake 1) under the natural impact of a bird-nesting area, and a wastewater receiver (Lake 2) were analysed in the vicinity of the Polish Polar Station on West Spitsbergen. Microbial community composition, abundance and activity were assessed in samples of the treated wastewater, lake water and sediments...
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The influence of plastic working on the selection properties of the nickel - aluminium alloy coatings = Wpływ obróbki plastycznej na wybrane właściwości powłok stopowych nikiel - aluminium
PublicationW pracy przedstawiono wyniki badań nad możliwością zastosowania technologii obróbki plastycznej (walcowania na zimno i gorąco, oraz prasowania) do kształtowania wybranych właściwości natryskiwanych płomieniowo powłok stopowych Ni-5%Al o strukturze jednofazowej, a mianowicie granicznego roztworu stałego , o maksymalnej 10% rozpuszczalności glinu w sieci krystalograficznej niklu. Celem pracy jest wstępna analiza możliwości zastąpienia...
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Actual problems of dyslipidaemia treatment in Poland — 2nd Declaration of Sopot. Experts’ Group Consensus endorsed by the Polish Cardiac Society Working Group on Cardiovascular Pharmacotherapy
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RAIRO-THEORETICAL INFORMATICS AND APPLICATIONS
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JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
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Discussion of “Stress-Displacement Response of Sand–Geosynthetic Interfaces under Different Volume Change Boundary Conditions” by Aliyeh Afzali-Nejad, Ali Lashkari, and Alejandro Martinez
PublicationThe influence of normal stiffness of interface on the interpretation of shear box tests
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Self-Sensitized Photocatalytic Degradation of Colorless Organic Pollutants Attached to Rutile Nanorods—Experimental and Theoretical DFT+D Studies
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How the configurational changes influence on molecular characteristics. The alkyl 3-azido-2,3-dideoxy-D-hexopyranosides - Theoretical approach
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Small Vessel with Inboard Engine Retrofitting Concepts; Real Boat Tests, Laboratory Hybrid Drive Tests and Theoretical Studies
PublicationThe development of modern technologies and their increasing availability, as well as the falling costs of highly ecient propulsion systems and power sources, have resulted in electric or hybrid propulsions systems’ growing popularity for use on watercraft. Presented in the paper are design and lab tests of a prototype parallel hybrid propulsion system. It describes a concept of retrofitting a conventionally powered nine meter-long...
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Multi Parameter Sliding Test Result Evaluation for the Selection of Material Pair for Wear Resistant Components of a Hydraulic Motor Dedicated for Use with Environmentally Friendly Working Fluids
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Effect of the working liquid compressibility on the picture of volumetric and mechanical losses in a high pressure displacement pump used in a hydrostatic drive Part II Mechanical losses in a pump
PublicationŚciśliwość cieczy roboczej może znacząco zmienić wartości i proporcje współczynników strat objętościowych i mechanicznych w pompie wyporowej zastosowanej w układzie napędu hydrostatycznego. Wpływ ten jest szczególnie widoczny w trakcie pracy pod wysokim ciśnieniem a także wówczas, gdy występuje zapowietrzenie cieczy roboczej. W części II przedstawiono model matematyczny momentu strat mechanicznych w pompie oraz jego laboratoryjną...
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Multi parameter sliding test result evaluation for the selection of material pair for wear resistant components of a hydraulic motor dedicated for use with environmentally friendly working fluids
PublicationW referacie przedstawiono zastosowanie metody badań tribologicznych pozwalającej na dokonywanie doboru najlepszych skojarzeń tribologicznych z wybranej populacji poprzez parametryczną ocenę wyników z wielu rodzajów testów tribologicznych wykonywanych na identycznych skojarzeniach materiał - smar - materiał.
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Combination therapy in the management of hypertension — current problem in Poland. Expert consensus statement of the Polish Society of Hypertension and Polish Cardiac Society Working Group on Cardiovascular Pharmacotherapy
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Lubricant property and rolling contact fatigue test of oil-in-water emulsion type HFA-E and oil Total Azolla 46 as working liquids in hydraulic systems
PublicationW artykule scharakteryzowano i opisano wyniki badań własności smarnych wody destylowanej, emulsji wodno-olejowej typu HFA-E (1% oleju w wodzie) sporządzonej na bazie koncentratu Isosynth VX110BF, oleju Total Azolla 46 i samego koncentratu Isosynth VX110BF (tylko dla porównania z olejem, emulsją i wodą). W artykule pokazano wyniki badań pittingu z użyciem wody, emulsji i oleju jako środków smarnych. Ponadto w artykule przedstawiono...
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The significance of the underground experience: Selection of reference design cases from the underground public transport stations and interchanges of the European Union
PublicationAbstract Background Recent research into the way public transport users appreciate stations and interchanges has highlighted several key aspects. Importantly, the optimization of these facilities should not simply aim to resolve dissatisfiers, but should also focus on addressing satisfiers, through the incorporation of factors such as comfort and experience. ‘Soft requirements,’ which have emerged in architecture and urban design,...
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Validation and modification of HPLC method for monitoring acetaminophen plasma concentrations in patients with chronic pancreatitis
PublicationBackground. Pancreatitis is the inflammation of the pancreas. The infl ammation may occur suddenly and resolve in a few days with the treatment in case of acute pancreatitis (AP). Chronic pancreatitis (CP) is a persistent inflammation of the pancreas that results in irreversible morphological changes and impairment of both exocrine and endocrine functions. Abdominal...
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Chemical Derivatization Processes Applied to Amine Determination in Samples of Different Matrix Composition
PublicationAmines are important biological compounds, and so their analysis and monitoring in various matrices is worthy of investigation and development.Due to the polar nature of amines, chromatographic analysis of free amines is generally unsatisfactory owing to adsorption and decomposition of the solute on the column, resulting in peak tailing and losses. Therefore, many derivatization reactions are employed to reduce the polarity, improve...
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Mathematical model to assess energy consumption using water inflow-drainage system of iron-ore mines in terms of a stochastic process
PublicationPurpose is to develop a unified mathematical model to assess energy efficiency of a water inflow-drainage process as the real variant of stochastic method for water pumping from underground workings of iron-ore mines. Methods. The research process was based upon the methods of probability theory as well as stochastic modelling methods. The stochastic function integration has been reduced to summation of its ordinates and further...
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Safety PL - a support tool for Road Safety Impact Assessment
PublicationPublished on 19 November 2008, the European Union's Directive 2008/96/EC is one of the most important EU documents setting out a road safety orientation, in particular, road infrastructure safety management. It identifies four main areas of activity: road safety impact assessment, road safety audit, ranking of high accident concentration sections and network safety ranking and road infrastructure safety inspection. The Directive...
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Lixue Xuebao/Chinese Journal of Theoretical and Applied Mechanics
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Comparative analysis of the theoretical models of ideal propulsor, ideal fluid brake, ideal screw propeller and ideal axial wind turbine
PublicationThe article presents a detailed discussion of four different fluid dynamics devices.These devices are presented with all relevant mathematical formulae regarding the forces, the power and the efficiency. It is demonstrated that application of the Betz theorem to axial wind turbines is not correct and it underestimates the maximujm achievable efficiency. This conclusion is supported by numerical calculations.
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Icosahedral Carborane Superacids and their Conjugate Bases Comprising H, F, Cl, and CN Substituents: A Theoretical Investigation of Monomeric and Dimeric Cages
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The method for determining the theoretical operation of ship diesel engines in terms of energy and assessment of the real operation of such engines, including indicators of their performance
PublicationDziałanie dowolnego silnika o zapłonie samoczynnym rozumiane jest jako przekazywanie odbiornikowi energii w ustalonym czasie, w którym energia jest przetwarzana i przenoszona na sposób (w formie) pracy i ciepła. Wartościowanie działania silników spalinowych instalowanych w siłowniach okrętowych, zaproponowane przez autora tego artykułu, polega na przyrównaniu działania tego rodzaju silników do wielkości fizycznej, której jednostką...
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Badania urządzeń wentylacyjno-klimatyzacyjnych wykorzystujących adsorpcyjne osuszanie powietrza = Experimental and theoretical investigations into air - conditioning systems with desiccant unit
PublicationArtykuł dotyczy prac związanych z potrzebą ograniczenia zużycia energii w systemach wentylacyjnych i klimatyzacyjnych. Przedstawia badania nad nowoczesnymi, adsorpcyjnymi urządzeniami wentylacyjno-klimatyzacyjnymi oraz doskonaleniem metod obliczania procesów wymiany ciepła i masy w tym zakresie.
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Experimental verification of the theoretical modelof heat transfer between a liquid layer formed by a two-phase impinging jet and a solid surface
PublicationW pracy przedstawiono eksperymentalną weryfikacje modelu teoretycznego wymiany ciepła pomiędzy warstwą wody a stałą powierzchnią. Warstwa cieczy powstała z uderzającej o powierzchnię dwufazowej strugi uderzającej
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Environmentally acceptable lubricants (EAL) compared with a reference mineral oil as marine stern tube bearing lubricant – Experimental and theoretical investigations
PublicationThe purpose of this research is to indicate the potential differences in bearing characteristics resulting from the application of different lubricant types with the same viscosity grade. The effect of different environmentally acceptable lubricants (EALs) on hydrodynamic journal bearing properties is studied experimentally and compared to the properties obtained after lubrication with a reference mineral oil. The results of the...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublicationThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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Corrosion damage identification based on the symmetry of propagating wavefield measured by a circular array of piezoelectric transducers: Theoretical, experimental and numerical studies
PublicationThe article investigates the results obtained from numerical simulations and experimental tests concerning the propagation of guided waves in corroded steel plates. Developing innovative methodologies for assessing corrosion-induced degradation is crucial for accurately diagnosing offshore and ship structures exposed to harsh environmental conditions. The main aim of the research is to analyze how surface irregularities affect...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublicationA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Single-pill combinations (SPCs) and treatment of arterial hypertension in Poland. Expert consensus statement of the Polish Society of Hypertension and Polish Cardiac Society Working Group on Cardiovascular Pharmacotherapy
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Ogród muz II
Publication"Gdańsk nowożytny a świat antyczny" – to tytuł drugiego tomu publikacji stanowiącej zapis projektu "W nadbałtyckim ogrodzie muz…", zorganizowanego w roku 2015 przez PAN Bibliotekę Gdańską i Katedrę Filologii Klasycznej Uniwersytetu Gdańskiego. W tomie pierwszym, wydanym w 2016 roku pod tytułem W gdańskim ogrodzie muz, obok podstawowych dla recepcji kultury grecko-rzymskiej sfer ekspresji, jaką jest poezja i sztuka perswazji,...
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Gdańsk nowożytny a świat antyczny
Publication"Gdańsk nowożytny a świat antyczny" – to tytuł drugiego tomu publikacji stanowiącej zapis projektu "W nadbałtyckim ogrodzie muz…", zorganizowanego w roku 2015 przez PAN Bibliotekę Gdańską i Katedrę Filologii Klasycznej Uniwersytetu Gdańskiego. W tomie pierwszym, wydanym w 2016 roku pod tytułem W gdańskim ogrodzie muz, obok podstawowych dla recepcji kultury grecko-rzymskiej sfer ekspresji, jaką jest poezja i sztuka perswazji,...
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Environmental Role of Rime Chemistry at Selected Mountain Sites in Poland
PublicationThe results of field experiments on fog pollutantdeposition enhanced by local mountain climate, completed by thedendrochronological analysis of the forest response, are presentedin this paper. In spite of their low absolute altitude (1,000-1,600 ma.s.l), the Sudetes and the Silesian Beskid form a noticeable orographicbarrier for the airflow of the humid Atlantic air masses.This results in the increase of cloudiness and fog frequency...
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Cement kiln dust
PublicationThe volume of cement production in the world has remained at the level of approxi mately 4.1 billion tons/year. The cement production process is energy intensive and is the world’s leading emitter of carbon dioxide. Therefore, the main activities cement plants are aimed at introducing technologies changes in production of clinkier.The construction industry is responsible for the majority of CO2 emissions to the atmosphere: the...
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Direct injection liquid chromatography-mass spectrometry (DI-LC-MS) analysis for rapid lipidomic profiling of extracellular vesicles
PublicationExtracellular 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...