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Wyniki wyszukiwania dla: mono-molecular layer
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublikacjaThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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KO-FERMENTACJA METANOWA JAKO ALTERNATYWNA METODA ZAGOSPODAROWANIA ZANIECZYSZCZONEJ BIOMASY
PublikacjaJedną z przyczyn ograniczonego stosowania fitoremediacji jest powstawanie zanieczyszczonej biomasy, dla której wciąż nie opracowano odpowiedniej technologii zagospodarowania lub unieszkodliwiania. W pracy przedstawiono sposób redukcji objętości biomasy, powstającej w wyniku fitoremediacji, metodą fermentacji metanowej. Głównym zagadnieniem jest intensyfikacja produkcji biogazu w procesie ko-fermentacji dwóch lub większej liczby...
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Experimental Investigations of Forced Convection of Nanofluids in Smooth, Horizontal, Round Tubes: A Review
PublikacjaA comprehensive review of published works dealing with experimental studies of forced convection heat transfer of nanofluids is presented. The survey is limited to straight, smooth, and round tubes. Moreover, only mono nanofluids exhibiting Newtonian behaviour are considered. Works on experimental research of forced convection in tubes are presented in a chronological order in the first part of the article. In this part, attention...
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Badania nad rozdzielaniem grupowym technikami sorpcji i chromatografii. Część I – Wykorzystanie chromatografii cienkowarstwowej (TLC) dla doboru warunków rozdzielania tłuszczów i produktów ich konwersji technikami kolumnowymi.
PublikacjaPrzeprowadzono badania wyjaśniające wpływ eluentu oraz fazy stacjonarnej na wartość parametrów elucji mono-, di-, triacylogliceroli oraz wolnych kwasów tłuszczowych, eluowanych w warunkach cienkowarstwowej chromatografii cieczowej (TLC). Celowo wykorzystano sorbenty inne niż kopolimer styrenu i di-winylobenzenu (SDVB). Starano się dobrać taki eluent, aby możliwe było rozdzielanie tłuszczów za pomocą chromatografii wykluczania...
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The importance of the bottom layer in double-layer porous asphalt for noise reduction
PublikacjaDouble-layer porous asphalt concrete (DPAC) surfaces are generally considered to be the acoustically most effective low noise road surfaces ready for implementation. While DPAC used on highways in warm climates may have an average life of around 8 years, in Scandinavia with severe winter climate DPAC usually survive only about 3 years; partly due to wear of studded tyres. An ongoing project in Sweden, applying DPAC and single-layer...
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Syntheses, Structures and Reactivity of Terminal Phosphido Complexes of Iron(II) Supported by a β-Diketiminato Ligand
PublikacjaWe report the synthesis of the first series of terminal phosphido iron complexes supported by a β‐diketiminato ligand (Dippnacnac) and their catalytic activity in dehydrocoupling of secondary phosphines. Anionic and neutral mono‐ or diphosphido complexes were obtained from the reaction of [(Dippnacnac)FeCl2Li(dme)2] with the R2PLi (R = iPr, tBu, Cy, Ph) phosphides by tuning the stoichiometric ratio, polarity of the solvent, and...
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Glikoliza odpadów poliuretanowych. Cz. I. Środki glikolizujące i katalizatory
PublikacjaW artykule przeglądowym omówiono glikolizę, która jest jednym z najważniejszych procesów chemicznych, mogącym znaleźć zastosowanie w recyklingu surowcowym odpadowych poliuretanów. We wstępie przedstawiono reakcje transestryfikacji wiązań uretanowych i mocznikowych. Omówiono ważniejsze reakcje zachodzące podczas złożonego procesu glikolizy, w wyniku których otrzymujemy mieszaninę produktów zawierającą poliole, związki o budowie...
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Cienkie warstwy TiO2: metoda otrzymywania, charakterystyka oraz zastosowania
PublikacjaGłównym celem naukowym badań było lepsze poznanie mechanizmu tworzenia cienkich warstw fotokatalitycznych w postaci nanorurek TiO2 oraz zrozumienie wpływu ich morfologii oraz struktury na aktywność oraz stabilność w procesie fotodegradacji zanieczyszczeń organicznych zarówno w fazie wodnej jak i gazowej. Szczególną uwagę poświęcono syntezie nowych typów fotokatalizatorów w oparciu o matryce nanorurek TiO2 (nanorurki modyfikowane...
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Cable-stayed bridges. Basic static schemes
PublikacjaThe paper presents an overview of shaping of cable-stayed bridges. Historical background, basic static sketches and overview of selected bridges are included. Selected natural solutions and interesting unrealized projects were presented. Basic ideas and most important principals are discussed. The examples and sketches were given an author's comment. Static diagrams of two pylon structures with three variants of the arrangement...
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Molecular geometry of hexachlorobenzene
Dane BadawczePresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Experimental and theoretical studies on the photodegradation of 2-ethylhexyl 4-methoxycinnamate in the presence of reactive oxygen and chlorine species
Publikacja2-Ethylhexyl 4-methoxycinnamate (EHMC) is one of the most commonly used sunscreen ingredient. In this study we investigated photodegradation of EHMC in the presence of such common oxidizing and chlorinating systems as H2O2, H2O2/HCl, H2O2/UV, and H2O2/HCl/UV. Reaction products were detected by gas chromatography with a mass spectrometric detector (GC-MS). As a result of experimental studies chloro-substituted 4-methoxycinnamic...
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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublikacjaMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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Microwave-assisted synthesis of zinc derivatives of potato starch
PublikacjaZincatated potato starch was prepared in a solid-state, microwave-assisted reaction using generated in situ sodium tetrahydroxozincate [Na2Zn(OH)4]. For comparison, zincatation of starch was also carriedout on convectional heating. Depending on the irradiation conditions, the products of either mono- or crosslinking esterification were formed. Higher power applied at shorter exposition offered products ofmonoesterification, and...
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Method for the simultaneous determination of monoaromatic and polycyclic aromatic hydrocarbons in industrial effluents using dispersive liquid-liquid microextraction with GC-MS
PublikacjaWe present a new method for simultaneous determination of 22 monoaromatic and polycyclic aromatic hydrocarbons in postoxidative effluents from the production of petroleum bitumen using dispersive liquid-liquid microextraction coupled to gas chromatography and mass spectrometry. The eight extraction parameters including the type and volume of extraction and disperser solvent, pH, salting out effect, extraction and centrifugation...
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MOLECULAR PHYSICS
Czasopisma -
JOURNAL OF MOLECULAR STRUCTURE
Czasopisma -
Digital mono-pulse method in cylindrical antena.
PublikacjaArtykuł prezentuje metodę poprawy dokładności namiaru w wielowiązkowym sonarze z anteną cylindryczną. Metoda oparta jest na metodzie monopulsowej, wykorzystywanej w radarach i sonarach. Metoda zapewnia dobrą dokładność namiaru dla pojedynczego impulsu sondującego. Jedyna modyfikacja w stosunku do metody oryginalnej polega na wytworzeniu dwóch odchylonych wiązek i wykonaniu prostych obliczeń. Symulacja komputerowa dowodzi , że uzyskanie...
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Badanie właściwości fotokatalitycznych, biobójczych i magnetycznych tlenku tytanu(IV) modyfikowanego nanocząstkami monoi bimetalicznymi Pt, Ag, Cu, Au oraz Pd
PublikacjaZakres badań obejmował otrzymywanie i charakterystykę nanokompozytów tlenku tytanu(IV) modyfikowanego mono- oraz bimetalicznymi nanocząstkami metali platyny, palladu, złota, srebra oraz miedzi. Zbadano wpływ zawartości metali, matrycy TiO2 oraz połączeniami metali na właściwości fotokatalityczne, biobójcze i magnetyczne otrzymanych nanokompozytów TiO2. Aktywność fotokatalityczną zbadano w reakcji degradacji modelowych związków oraz...
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Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl and amino substituents
PublikacjaWe present the comprehensive study of diphosphanes with diversified substituents regarding their syntheses, structures, and properties. To this end, we have synthesized a series of novel unsymmetrical alkyl, aryl and amino-substituted diphosphanes of the general formula R1R2P-PR3R4 (where R1, R2, R3, R4 = tBu, Ph, Et2N or iPr2N) via salt metathesis reactionof halophosphanes with metal phosphides in high yield. We vastly expanded...
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A white phosphor based on oxyfluoride nano-glass-ceramics co-doped with Eu3+ and Tb3+: Energy transfer study
PublikacjaStrontium fluoride nanocrystals doped separately with Ln3+ = Eu3+ or Tb3+ ions (95SrF2·5LnF2), as well as co-doped with both the ions (95SrF2·Eu4Tb) were synthesized for comparison. Then, glass-ceramics consisting of the mono-doped or di-doped SrF2 nanocrystals incorporated into amorphous silica (90SiO2·9.5SrF2·0.5Ln or 90SiO2·9.5SrF2·0.1EuF3·0.4Tb) were prepared by sol-gel procedure. The studied materials were characterized by...
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Dane BadawczeAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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Methylmercury and total mercury content in soft tissues of two bird species wintering in the Baltic Sea near Gdansk, Poland
PublikacjaOf the various forms of Hg occurring in nature, (mono) methylmercury (MeHg) is an especially toxic form and practically all forms of Hg can be converted into MeHg as a result of natural processes. Total mercury (THg) and MeHg were determined in tissues of two piscivorous birds: razorbill Alca torda and black-throated loon Gavia arctica to provide baseline data on current mercury concentrations for liver, kidneys and pectoral muscle...
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Sensitive simultaneous determination of 19 fluorobenzoic acids in saline waters by solid-phase extraction and liquid chromatography–tandem mass spectrometry
PublikacjaA solid-phase extraction (SPE) procedure using C18 stationary phase was optimized for the preconcentration of 19 fluorinated derivatives of benzoic acid (FBA): mono-, di-, tri-, and tetrafluorosubstituted in the ring, trifluoromethylbenzoic acid and 3,5-bistrifluoromethyl benzoic acid from undiluted salt-rich (>20%) reservoir waters. Quantitative (>90%) retention/elution of 16 out of 19 analyte compounds was achieved allowing a...
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Zagospodarowanie fazy glicerynowej z produkcji biopaliw
PublikacjaMalejace zasoby paliw kopalnianych, a co za tym idzie drastyczny wzrost cen oraz globalne ocieplenie i zanieczyszczenie srodowiska powoduje due zainteresowanie odnawialnymi i niekonwencjonalnymi zródłami energii. Jednym z takich zródeł odnawialnej energii jest biopaliwo do silników wysokoprenych , tzw. biodiesel,otrzymywane w wyniku transestryfikacji triglicerydów z olejów roslinnych i zwierzecych metanolem. Przewidywany wzrost...
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Alternative treatment approaches of urinary tract infections caused by uropathogenic Escherichia coli strains
PublikacjaUrinary tract infections (UTIs) are the most widespread and annoying infections affecting millions of people every year annually. The biggest problem of urinary diseases are recurrences, the increasing resistance of uropathogens to commonly used antibiotics, as well as the high health care costs of afflicted persons. Uropathogenic Escherichia coli strains (UPECs) are the most dominant etiologic agent of community-acquired infections...
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Rengel Cane Sia Doctoral Candidate
OsobyI'm Rengel, born and raised in the Philippines. As an undergraduate I did kinetic modeling on Copper-catalyzed atom transfer radical addition (ATRA). Then I was inspired to do both theoretical and experimental studies, which led me to propose my master's thesis on Synthesis, Computational, Electrochemical, and Photoconductivity Studies on Naphthalene and its derivatives. This led to a master's degree in Chemistry in the Mindanao...
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Nanocrystalline cathode functional layer for SOFC
PublikacjaRecently, it was shown that thin functional layers introduced between an electrolyte and cathode might improve cathode performance. However, the mechanism of this improvement still needs analysis. In this paper, a thin (∼140 nm), spin-coated perovskite layer (La0.6Sr0.4Co0.2Fe0.8O3-δ) was placed between a cathode (La0.6Sr0.4Co0.2Fe0.8O3-δ) and an electrolyte (Ce0.8Gd0.2O2-δ) and the effects of this investigated. The microstructure...
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Electrocatalytic gas sensor with reference layer
PublikacjaIn recent years electrochemical gas sensors based on solid state electrolytes have been intensively developed. They are easy to obtain, use and relative durable. Nasicon is one of the most promising materials, which have been used in construction of gas sensors. Most of these devices work in potentiometric or amperometric mode. However, some works are dedicated to sensors working in electrocatalytic mode. Principle of operation...
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Studies on selectivity of hydrocarbon group type separation of petroleum vacuum distillates and base oils by HPLC.
PublikacjaW pracy przedstawiono wyniki badań nad doborem selektywnego chromatograficznego układu HPLC, umożliwiającego rozdzielenie grupowe produktów naftowych otrzymanych z destylacji próżniowej ropy naftowej, w tym, mineralnych olejów bazowych. Stwierdzono, że konieczny układ chromatograficzny wymaga wykorzystania dwóch kolumn wypełnionych żelem krzemionkowym ze związanymi grupami nitrofenopropylowymi, połączonych szeregowo z dwiema...
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Layer-by-layer polymer deposited fabrics with superior flame retardancy and electrical conductivity
PublikacjaSmart and multifunctional textiles and fabrics are progressively developing, such that multifunctional fabrics are becoming more widespread. We elaborated herein multi-layered flax fabrics with superior flame retardancy and conductivity, which revealed fireproof feature while keeping conductivity during burning. The flax fabric was reinforced by layer-by-layer (LbL) deposition of sodium polyacrylate (SPA), polyethylenimine (PEI),...
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Atropoisomerism in Mono- and Diaryl-Substituted 4-Amino-2,6-lutidines
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublikacjaWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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Comparative molecular modelling of biologically active sterols
PublikacjaMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublikacjaParylene 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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Characteristics of La0.8Sr0.2Ga0.8Mg0.2O3-delta -supported micro-tubular solid oxide fuel cells with bi-layer and tri-layer electrolytes
PublikacjaIn this study, La0.8Sr0.2Ga0.8Mg0.2O3−δ (LSGM)-supported micro tubular solid oxide fuel cells (T-SOFCs) with two different configurations, one containing an LSGM–Ce0.6La0.4O2−δ (LDC) bi-layer electrolyte (Cell A) and one containing an LDC–LSGM–LDC tri-layer electrolyte (Cell B), were fabricated using extrusion and dip-coating. After optimizing the paste formulation for extrusion, the flexural strength of the dense and uniform LSGM...
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Antimicrobial molecular nanocarrier–drug conjugates
PublikacjaMany antimicrobial drugs are poorly active against pathogenic microbes causing intracellular infections, such as Mycobacterium tuberculosis or Plasmodium falciparum. On the other hand, several known antimicrobial agents are not effective enough because of their limited cellular penetration. A common feature of both challenges is the inability of an active agent to cross the biological membrane(s). One of the possible approaches...
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Measurements of Subnanometer Molecular Layers
PublikacjaSelected methods of formation and detection of nanometer and subnanometer molecular layers were shown. Additionally, a new method of detection and measurement with subnanometer resolution of layers adsorbed or bonded to the gate dielectric of the ion selective field effect transistor (ISFET) was presented.
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Molecular Umbrella as A Nanocarrier for Antifungals
PublikacjaA molecular umbrella composed of two O‐sulfated cholic acid residues was applied for the construction of conjugates with cispentacin, containing a “trimethyl lock” (TML) or o‐dithiobenzylcarbamoyl moiety as a cleavable linker. Three out of five conjugates demonstrated antifungal in vitro activity against C. albicans and C. glabrata but not against C. krusei, with MIC90 values in the 0.22–0.99 mM range and were not hemolytic. Antifungal...
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Electrocatalytic Gas Sensor with Reference Layer
PublikacjaThis paper presents studies of gas sensors prepared in ceramic technology with Nasicon as a solid electrolyte. Sensors work in the voltammetric mode thus based on the excitation of a sensor with a periodic potential signal while current response is recorded. The main aim is to investigate a Bi8Nb2O17 reference layer influence on sensor properties. Sensors I-V characteristics in different concentration of nitrogen dioxide have been...
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Vision guided robot gripping systems
PublikacjaW rozdziale omawia się robotycki system wykorzystujący kamery streo. System taki zastępuje pracę człowieka przy przenoszeniu obiektów wielkowymiarowych (teoretycznie nieograniczonych) w przestrzeni trójwymiarowej. W rozważaniach uwzględniono pinholową kamerę (bezsoczewkową z bardzo małą aperturą/otworem) oraz prosty model zniekształcenia soczewkowego. Podano wartości poszczególnych parametrów. Zastosowano dwie konwencje notacyjne...
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Efektywna metoda selenenylowania z użyciem diselenidu O,O-diizopropylofosforotioilowego
PublikacjaTworzenie wiązania C-Se odbywa się zwykle z wykorzystaniem elektrofilowego bromku fenyloselenenylowego generowanego in situ z diselenidu difenylowego. Fenyloselenenylowanie soli sodowych malonianów, użytych z 10-krotnym nadmiarem, prowadzi do powstawania znaczących ilości di(fenyloselenenylo)malonianów obok głównych produktów mono-selenenylowania. 2-Fenyloselenenylomaloniany wykorzystano m.in. w reakcji rodnikowej addycji do wiązania...
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New Architecture of Solid-State High-Voltage Pulse Generators
PublikacjaThe application of the nanosecond pulsed electric field (nsPEF) for biomedical treatments has gained more interest in recent decades due to the development of pulsed power technologies which provides the ability to control the electric field dose applied during tests. In this context, the proposed paper describes a new architecture of solid-state high-voltage pulse generators (SSHVPG) designed to generate fully customised sequences...
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublikacjaThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublikacjaThe 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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Ceramic composites for single-layer fuel cells
PublikacjaComposite materials consisting of acceptor doped lanthanum orthoniobate electrolyte phase (La0.98Ca0.02NbO4) and Li2O:NiO:ZnO semiconducting phase were synthesized. The precursor powder of La0.98Ca0.02NbO4 was prepared in nanocrystalline (mechanosynthesis) and microcrystalline (solid-state synthesis) form. The composite can be applied in a single-layer fuel cell, because of the presence of two phases acting as an anode and a cathode...
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Molecular level interpretation of excess infrared spectroscopy
PublikacjaInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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Adsorption onto zeolites: molecular perspective
Publikacja2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Molecular Imaging and Nanotechnology—Emerging Tools in Diagnostics and Therapy
PublikacjaPersonalized medicine is emerging as a new goal in the diagnosis and treatment of diseases. This approach aims to establish differences between patients suffering from the same disease, which allows to choose the most effective treatment. Molecular imaging (MI) enables advanced insight into molecule interactions and disease pathology, improving the process of diagnosis and therapy and, for that reason, plays a crucial role in personalized...
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...