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Search results for: MOLECULAR SEPARATIONS.
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Modern trends of domestic sewage treatment with separating toilets applications
PublicationW artykule przedstawiono nowoczesne rozwiązania oczyszczania ścieków bytowych z zastosowaniem toalet kompostowych, próżniowych lub separujących. Innowacyjność tych technologii dotyczy całości rezultatu, ponieważ w sposób alternatywny dla stosowanych rozwiązań zapewniają kompleksowe rozwiązanie problemów związanych z oczyszczaniem ścieków oraz zagospodarowaniem osadów. W tradycyjnych oczyszczalniach ścieków przede wszystkim oczyszcza...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
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Green porous benzamide-like nanomembranes for hazardous cations detection, separation, and concentration adjustment
PublicationGreen biomaterials play a crucial role in the diagnosis and treatment of diseases as well as health-related problem-solving. Typically, biocompatibility, biodegradability, and mechanical strength are requirements centered on biomaterial engineering. However, in-hospital therapeutics require an elaborated synthesis of hybrid and complex nanomaterials capable of mimicking cellular behavior. Accumulation of hazardous cations like...
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pH Gradient as a Tool for the Separation of Ionizable Analytes in Reversed-Phase High-Performance Chromatography
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Separation of anthocyanins from black carrot, chokeberry, blackcurrant, and elderberry with the use of preparative chromatography
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A selection of the optimal eluent components for separation of carnivorous plants metabolites by planar chromatography chromatography
PublicationAbstract: The development of the new procedures of the separation components with the complicated chemical structure from natural complex matrix by column chromatography is very difficult and in many cases expensive. Therefore to pre-select the conditions of the separation process the use of thin layer chromatography (TLC) is proffered. The possibility of proceeding the chromatographic process for several mixtures on single plate,...
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The Application of Cellulose Acetate Membranes for Separation of Fermentation Broths by the Reverse Osmosis: A Feasibility Study
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The Current Use of Mass Spectrometry in Combination with Other Separation Techniques in Drug Discovery Arena
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Ongoing progress on novel nanocomposite membranes for the separation of heavy metals from contaminated water
PublicationMembranes, as the primary separation element of membrane-based processes, have greatly attracted the attention of researchers in several water treatment applications, including wastewater treatment, water purification, water disinfection, toxic and non-toxic chemical molecules, heavy metals, among others. Today, the removal of heavy metals from water has become challenging, in which chemical engineers are approaching new materials...
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Polyether-block-amide PEBA membranes for gas separation and pervaporation; current design and applications
PublicationPolyether-block-amide (PEBA) membranes have attracted considerable attention for their exceptional efficacy in gas separation and pervaporation processes. This comprehensive review delves into the precise definition, distinguishing characteristics, and diverse applications of PEBA membranes over the past five years. A primary research objective focuses on enhancing gas separation efficiency, primarily through augmenting membrane...
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Analysis of the impact of AOP on source code quality: Paradox of aspect-oriented separation of concerns
PublicationAlmost four decades ago, Parnas advocated modularity for the sake of changeability, independent development, and comprehensibility. The recipe for modularization is to define a clean interface, hide an implementation detail, keep low coupling and high cohesion. Although modules have taken many forms over the years from functions and procedures to classes, no form has been capable of expressing so-called crosscutting concerns in...
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Optimal selection of the sawdust separation device for a narrow-kerf sawing machine PRW15-M
PublicationW pracy przedstawiono granulometryczną analizę rozkładu wiórów i pyłu drzewnego otrzymanego w procesie przecinania suchych pryzm sosnowych na pilarce ramowej wielopiłowej PRW15-M. Wielkości wiórów mieściły się w granicach od 84,7 μm do nawet 14 mm. Te ostatnie są elementami będącymi efektem rozszczepiania dolnej powierzchni pryzmy przez wychodzące z niej ostrza piły. Większośc wiórów z najmniejszych frakcji ma postać sześciennych...
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Phase separation in poly(butylene terephthalate)-based materials prepared by solid-state modification
PublicationThe morphology of a series of poly(butylene terephthalate) (PBT)/fatty acid dimer diol (FADD)-based copolyesters prepared by solid-state modi fi cation (SSM) was studied. It was shown that in copolyesters containing less than 10 wt% FADD two different phases, i.e. a PBT crystalline phase and a PBT-rich amorphous phase, are present. The FADD residues were more or less homogeneously distributed throughout the interlamellar regions....
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Evaluation of the usefulness and optimization of the separation conditions in Empty Column Gas Chromatography (EC-GC)
PublicationDotychczasowe badania wykazały, że możliwe jest rozdzielanie wysokowrzących mieszanin techniką chromatografii gazowej z zastosowaniem pustej rurki kapilarnej z topionej krzemionki, zamiast kolumn zawierających fazę stacjonarną. Operacja rozdzielania chromatograficznego ma miejsce jedynie na zasadzie różnicy temperatur wrzenia rozdzielanych substancji. Wysoki stopień podobieństwa warunków rozdzielania, osiąganych w ten sposób, z...
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Distribution of relaxation times as a method of separation and identification of complex processes measured by impedance spectroscopy
PublicationImpedance spectroscopy is one of the most commonly performed measurements to characterize electronic and electrochemical systems. Impedance spectra have limited resolution and many different processes may overlap what could be the reason of obstructions in its proper later analysis. Up to date, there are three approaches to solve this problem: examining impedance spectra itself, fitting spectra with equivalent circuits, and calculating...
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Separation of toluene from gas phase using supported imidazolium ionic liquid membrane
PublicationInvestigation on utilization of supported ionic liquids membranes for hydrocarbon separation from the gas phase was performed. Properties of membrane phase, wettability of supports, swelling effects and solubility of toluene were taken into account. Toluene permeation rates were significantly higher than those of pure nitrogen, the selectivity in a range of 17–341 was satisfying for separation. Despite the increase of viscosity...
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CO2 Separation Using Supported Deep Eutectic Liquid Membranes Based on 1,2-propanediol
PublicationIn this work, deep eutectic solvents (DESs) composed of choline chloride, acetylcholine chloride or tetrabutylammonium chloride, and 1,2-propanediol were used as a liquid phase for polypropylene-based supported liquid membranes (SLMs) and evaluated for the separation of carbon dioxide from CO2/N2 mixtures. Fourier transform infrared spectra were obtained to confirm DES formation, and the thermal stability of solvents was investigated...
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Musical instrument sound separation methods supported by artificial nueural network decision system
PublicationRozprawa doktorska (27 czerwica 2006).Celem prowadzonych prac badawczych było opracowanie algorytmów separacji dźwięków instrumentów muzycznych. Dodatkowo dobrano zestaw parametrów tak aby możliwe było wytrenowanie sztucznej sieci neuronowej w celu automatycznego rozpoznawania odseparowanych sygnałów. Zaproponowano również aby algorytm decyzyjny odpowiedzialny za klasyfikacje dźwięków pełnił funkcję automatycznej metody oceny algorytmów...
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Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties
PublicationPyrazine and its derivatives are a large group of compounds that exhibit broad biological activity, the changes of which can be easily detected by a substituent effect or a change in the functional group. The present studies combined theoretical research with the density functional theory (DFT) approach (B3LYP/6-311+G**) and experimental (potentiometric and spectrophotometric) analysis for a thorough understanding of the structure...
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Molecular Profiling for Predictors of Radiosensitivity in Patients with Breast or Head-and-Neck Cancer
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Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films
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Processing and Maturation of Cathepsin C Zymogen: A Biochemical and Molecular Modeling Analysis
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Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems
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Selected molecular and microfluidic aspects of mammalian oocyte maturation-perspectives: a review
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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The immunological, biochemical and molecular bases of canine senescence and carcinogenesis: a review
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Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublicationThe lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...
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Brain/blood distribution described by a combination of partition coefficient and molecular mass
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Multiplatform metabolomics provides insight into the molecular basis of chronic kidney disease
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Molecular differences in mitochondrial DNA genomes of dogs with malignant mammary tumours
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Analysis of molecular structure of starch citrate obtained by a well-stablished method
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Molecular action of isoflavone genistein in the human epithelial cell line HaCaT
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The molecular mechanism of genistein action in lysosomal storage diseases: A transcriptomic approach
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Molecular Diagnostics of Brain Tumours by Measuring the 5-Methylcytosine Level in Their DNA
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Molecular Diffusion Simulation on ARUZ – Massively-parallel FPGA-based Machine
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A Model of Thermally Activated Molecular Transport: Implementation in a Massive FPGA Cluster
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Molecular self-assembly and optical activity of chiral thionooxalamic acid esters
PublicationZsyntezowano kilka optycznie czynnych estrów dietylowych kwasu bis(tiooksamowego). Związki te, z powodu ich zdolności do tworzenia ze sobą komplementarnych cyklicznych wiązań wodorowych, są potencjalnie użytecznym materiałem budulcowym większych układów supramolekularnych. Odpowiednie układy modelowe otrzymano z optycznie czynnych 1,2-diamin, które poddano acylowaniu chlorooksooctanem etylu, a następnie otrzymane półprodukty tionowano...
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Interactions of amphotericin B derivatives with lipid membranes - a molecular dynamics study
PublicationW pracy analizowano oddziaływanie dwóch nisko-toksycznych pochodnych amfoterycyny B (związki SAmE i PAmE) z modelami błon lipidowych. Badania wykonane zostały za pomocą dynamiki molekularnej. Modele błon oprócz fosfolipidów DMPC zawierały odpowiednio cholesterol (model błony zwierzęcej) lub ertosterol (model błony grzybowej). Analiza wyników wykazała, że obie pochodne amfoterycyny B zachowują się inaczej w błonie cholesterolowej...
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Study of the transport properties of a molecular junction as a function of the distance between the leads
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Molecular epidemiology of chronic hepatitis B virus infection in northern Poland
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublicationParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublicationThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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Molecular features of thymidine analogues governing the activity of human thymidine kinase
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Structure of liquid gold from tight-binding driven molecular-dynamics
PublicationPraca przedstawia wyniki symulacji ciekłego złota w nadkomórce periodycznej przy użyciu stworzonego przez autorów programu komputerowego, za pomocą połączonych metod dynamiki molekularnej (MD) i ciasnego wiązania (TB). Omówiono strukturę tak symulowanej cieczy, porównując ją z dostępnymi danymi doświadczalnymi oraz wynikami innych symulacji, pod kątem radialnej i kątowej funkcji rozkładu i elektronowej gęstości stanów.A tight-binding...
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Molecular modeling of amphotericin B - ergosterol primary complex in water II
PublicationPrezentowane badania dotyczą oddziaływania antybiotyku polienowego anfoterycyny B (AmB) i ergosterolu (ERG) (typowego sterolu błonowego komórek grzybowych) na poziomie molekularnym. W odróżnieniu od badanego poprzednio kompleksu binarnego analizowany obecnie kompleks AnB/ERG/AmB charakteryzuje się zdecydowanie wiekszą stabilnością i wzglednie sztywną, sandwiczową geometrią. Za trwałość i geometrie kompleksu odpowiedzialne są oddziaływania...
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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublicationCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
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The FMO analysis of the molecular interaction of fentanyl derivatives with the μ-opioid receptor
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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A Molecular dynamics study of the influence of chemical reduction on the structure of amorphous germania
PublicationPraca poświęcona jest badaniom struktury blisko- i średniozasięgowej redukowanego amorficznego tlenku germanu o składzie 1Ge 1GeO2 za pomocą symulacji dynamiczno-molekularnych. Symulacje MD realizowano w zespole mikrokanonicznym (NVE), z wykorzystaniem dwuciałowego potencjału oddziaływania miedzyatomowego Borna-Mayera-Hugginsa. Wyraźnie widoczna tendencja do aglomeracji neutralnych atomów Ge została porównana z tendencją do aglomeracji...
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The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation
PublicationPraca poświęcona jest badaniom struktury blisko i średniozasięgowej częściowo zredukowanego szkła ołowiowo-krzemianowego o stechiometrii 1Pb1PbO1SiO2 uzyskanego na drodze symulacji dynamiczno-molekularnych. Otrzymane rezultaty porównamy z danymi otrzymanymi dla szkła niemodyfikowanego (2PbO1SiO2) i całkowicie zredukowanego (2Pb1SiO2).