Filters
total: 4698
filtered: 3969
displaying 1000 best results Help
Search results for: ROCK SALT STRUCTURE
-
Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
Publication -
Improved conformational space annealing method to treat β-structure with the UNRES force-field and to enhance scalability of parallel implementation
Publication -
Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublicationOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
-
Clozapine influences cytoskeleton structure and calcium homeostasis in rat cerebral cortex and has a different proteomic profile than risperidone
Publication -
Temporal fine structure of all-normal dispersion fiber supercontinuum pulses caused by non-ideal pump pulse shapes
Publication -
Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
Publication -
Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C
Publication -
A new seismic control framework of optimal PIλDµ controller series with fuzzy PD controller including soil-structure interaction
Publication -
Exploring ion-ion preferences through structure-property correlations: amino acid-derived, bis(guanidinium) disiloxane salts
Publication -
Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure–Property Relationship (QSPR) incorporating the influence of temperature on volatility
Publication -
Physicochemical Characteristics of Porous Starch Obtained by Combined Physical and Enzymatic Methods, Part 1: Structure, Adsorption, and Functional Properties
Publication -
Mechanisms positioned in a neighbourhood of their singular positions - velocity amplification in the electromagnetic damping. Part 1 - Background of the mechanical structure modeling
PublicationW pracy przedstawiono metodę modelowania dynamiki drgającego hybrydowego układu mechanicznego złożonego z odkształcalnego podukładu ciągłego oraz z połączonego z nim mechanizmu. U układzie pojawiają się drgania części odkształcalnej. By je wytłumić, ich energia zamieniana jest w energię elektryczną (za pomocą prądnicy prądu stałego) i rozpraszana na oporności obecnej w układzie elektrycznym. Aby przyśpieszyć tłumienie, wprowadzony...
-
The synthesis, x-ray structure and metal cation complexation properties of colored crown with two heterocyclic residues as a part of macrocycle
PublicationZsyntezowano nowy eter koronowy zawierający ugrupowanie azowe, resztę pirolu i pirydyny w pierścieniu makrocyklicznym. Badano zdolność kompleksowania kationów metali w acetonitrylu oraz mieszaninę acetonitryl-woda. Do pomiarów wykorzystano spektrofotometrię UV-Vis. Ustalono strukturę krystalograficzną otrzymanego związku.
-
Nickel(II) tri-tert-butoxysilanethiolates with N-heterocyclic bases as additional ligands: Synthesis, molecular structure and spectral studies
PublicationW publikacji przedstawiono metodę syntezy trzech kompleksów silanotiolanowych z takimi N-heterocyklicznymi zasadami jak: pirydyna, 2-metylopirydyna i 3,5-dimetylopirydyna. Dla tych kompleksów przeprowadzono badania X-Ray, analizy elementarnej. Przy pomocy rentgenowskiej analizy strukturalnej wykazano różną koordynację atomu centralnego - niklu.
-
Copper(I) π-coordination compounds with allyl derivatives of disubstituted pseudothiohydantoin: synthesis, structure investigation and nonlinear optical features
Publication -
Design and Characterization of a Planar Structure Wideband Millimeter-Wave Antenna with Wide Beamwidth for Wearable off-body Communication Applications
PublicationThis letter presents the design of a planar single-layer wideband antenna featuring wide beamwidth has well as high and stable in-band gain. The proposed antenna is a planar monopole fed by a bottom-grounded coplanar waveguide to realize wide beamwidth in both the xz- and yz-planes. Simultaneous optimization of all adjustable antenna parameters, carried out at the full-wave electromagnetic simulation level. The constructive interference...
-
Structure and the Biochemical Potential of the Bacterial Community in Wastewater Treatment Plant Effluent and in Receiving Waters: Northern Poland Case Study
PublicationWastewater treatment processes are monitored mainly in terms of biogenic substance removal efficiency. Little is known about the treated wastewater microbiome and its influence on the recipient. In this study, a wide range of methods (cultivation, microscopic analysis, New Generation Sequencing and Real Time PCR) were employed to determine the bacterial community composition of the treated wastewater and its receiver. Preliminary...
-
Investigating the Impact of Curing System on Structure-Property Relationship of Natural Rubber Modified with Brewery By-Product and Ground Tire Rubber
PublicationThe application of wastes as a filler/reinforcement phase in polymers is a new strategy to modify the performance properties and reduce the price of biocomposites. The use of these fillers, coming from agricultural waste (cellulose/lignocellulose-based fillers) and waste rubbers, constitutes a method for the management of post-consumer waste. In this paper, highly-filled biocomposites based on natural rubber (NR) and ground tire...
-
Modelling of concrete facture at aggregate level using DEM based on x-ray mu CT images of internal structure
PublicationW artykule pokazano wyniki dyskretne DEM dla pękania betonu poddanego zginaniu. Beton został symulowany jako ośrodek 4-fazowy. Mikrostrukturę betonu określono na podstawie zdjęć uzyskanych mikro-tomografem. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
-
Modelling of concrete fracture at aggregate level using FEM and DEM based on X-ray uCT images of internal structure
PublicationArtykuł podejmuje problem pękania w zginanych belkach betonowych. Proces pękania był obserwowany przy zastosowaniu mikrotomografii . Zaobserwowany proces był symulowany numerycznie przy zastosowaniu metody elementów skończonych i metody elementów dyskretnych. Beton był opisany jako materiał 4-fazowy. Otrzymano dobrą zgodność wyników numerycznych z doświadczalnymi.
-
Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
Publication -
Synthesis, structure and physical properties of Ru ferrites: BaMRu5O11 (M=Li and Cu) and BaM′2Ru4O11 (M′=Mn, Fe and Co)
Publication -
Synthesis, structure and physical properties of Ru ferrites: BaMRu5O11 (M= Li and Cu) and BaM'2Ru4O11 (M'=Mn, Fe and Co)
PublicationW pracy opisano syntezę, strukturę i właściwości fizyczne pięciu nowych związków z rodziny ferrytów na bazie Ru, których wzór chemiczny jest BaMRu5O11 (M = Li, Cu) i BaM'2Ru4O11 (M' = Mn, Fe, Co).
-
Pattern Recognition Methods in Evaluation of the Structure of the Laboratory Data Biominerals, Antioxidant Enzymes, Selected Biochemical Parameters, and Pulmonary Function of Welders
Publication -
Muscle Cell Morphogenesis, Structure, Development and Differentiation Processes Are Significantly Regulated during Human Ovarian Granulosa Cells In Vitro Cultivation
Publication -
Interplay between Structure and Charge as a Key to Allosteric Modulation of Human 20S Proteasome by the Basic Fragment of HIV-1 Tat Protein
Publication -
Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field
Publication -
Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
Publication -
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
Publication -
Synthesis and antimicrobial activity of truncated fragments and analogs of citropin 1.1: The solution structure of the SDS micelle-bound citropin-like peptides
Publication -
FEM Analysis of Multi Storied RC Structure using (E-TAB simulation ) and Need of High rise structures in Developing Countries
Publication -
Novel porous carbon/clay nanocomposites derived from kaolinite/resorcinol-formaldehyde polymer blends: synthesis, structure and sorption properties
Publication -
(Cyclopentadienyl){(N,N-dimethylaminoethyl)cyclopentadienyl} complexes of zirconium: Crystal structure of [(η5-C5H5)(η5-C5H4CH2CH2NHMe2)ZrCl2]2[ZrCl6]
Publication(C5H5)ZrCl3 reaguje z [C5H4-CH2CH2NMe2]Li dając polimer koordynacyjny {(C5H5)(C5H4-CH2CH2NMe2)ZrCl2}n, który z kolei w reakcji z HCl daje żółtozielone kryształy [(η5-C5H5)(η5-C5H4CH2CH2NHMe2)ZrCl2]2[ZrCl6]. Ten ostatni związek został scharakteryzowany za pomocą widm NMR oraz przy użyciu rentgenowskiej analizy strukturalnej. Utworzenie w/w związku wskazuje na oderwanie grup C5H5 oraz C5H4-CH2CH2NMe2 od centrum metalicznego Zr(IV).
-
Structure of single KL0–, double KL1–, and triple KL2 − ionization in Mg, Al, and Si targets induced by photons, and their absorption spectra
Publication -
Molecular biaxiality determines the helical structure – infrared measurements of the molecular order in the nematic twist-bend phase of difluoro terphenyl dimer
Publication -
Statistical radii associated with amino acids to determine the contact map: fixing the structure of a type I cohesin domain in theClostridium thermocellumcellulosome
Publication -
Influence of an Electronic Structure of N-TiO2 on Its Photocatalytic Activity towards Decomposition of Acetaldehyde under UV and Fluorescent Lamps Irradiation
Publication -
Efficiency of new method of removing noisy background from the sequence of MRI scans depending on structure elements used to morphological processing
PublicationPrzedstawiono nową metodę usuwania zaszumionego tła z sekwencji skanów MRI. Każdy skan zawiera przekrój mózgu i tło, oba zaszumione. Tło należy wykluczyć z dalszej analizy. Eliminacji tła dokonano dzięki zastosowaniu opisanego algorytmu wykorzystującego podstawowe operacje morfologiczne: dylację, erozję, otwarcie i zamknięcie do uprzednio zbinaryzowanych zbiorów MRI. Zaprezentowano wyniki przetwarzania otrzymane dla różnych kształtów...
-
Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
-
Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems
PublicationThis work focuses on determining the influence of both ionic liquid (IL) type and redox couple concentration on Seebeck coefficient values of such a system. The quantitative structure property relationship (QSPR) and read-across techniques are proposed as methods to identify structural features of ILs (mixed with LiI/I2 redox couple), which have the most influence on the Seebeck coefficient (Se) values of the system. ILs consisting...
-
Novel NK1R-Targeted 68Ga-/177Lu-Radioconjugates with Potential Application against Glioblastoma Multiforme: Preliminary Exploration of Structure–Activity Relationships
Publication -
Optical investigation of molecular structure of sophisticated materials forphotonics. Photonics Applications in Astronomy, Communications, Industry and High Energy Physics Experiments.
PublicationZastosowano komplementarne metody optyczne: spektroskopię ramanowską oraz spektroskopię w podczerwieni do badania reakcji zachodzących w czasie wytwarzania polimerów hybrydowych metodą zol-żel. Otrzymane rezultaty umożliwiły uszczegółowienie opisu reakcji hydrolizy monomerów w trakcie żelowania.
-
Structure-function analysis of decay-accelerating factor: identification ofresidues important for binding of the Escherichia coli Dr adhesin and complement regulation
PublicationZidentyfikowano ważne dla wiązania adhezyny Dr uropatogennych Escherichiacoli reszty aminokwasowe w ludzkim receptorze DAF SCR-3.
-
Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
-
Structure and Stability Characterization of Natural Lake Pigments Made from Plant Extracts and Their Potential Application in Polymer Composites for Packaging Materials
PublicationNatural dyes were extracted from various plant sources and converted into lake pigments based on aluminum and tin. Three different plants (weld, Persian berries, and Brazilwood) were chosen as representative sources of natural dyes. High-performance liquid chromatography (HPLC) and triple-quadrupole mass spectrometry (QqQ MS) were used to identify dyestuffs in the raw extracts. The natural dyes and lake pigments were further characterized...
-
Nonlocal Vibration of Carbon/Boron-Nitride Nano-hetero-structure in Thermal and Magnetic Fields by means of Nonlinear Finite Element Method
PublicationHybrid nanotubes composed of carbon and boron-nitride nanotubes have manifested as innovative building blocks to exploit the exceptional features of both structures simultaneously. On the other hand, by mixing with other types of materials, the fabrication of relatively large nanotubes would be feasible in the case of macroscale applications. In the current article, a nonlinear finite element formulation is employed to deal with...
-
Influence of synthesis conditions on glass formation, structure and thermal properties in the Na 2 O-CaO-P 2 O 5 system doped with Si 3 N 4 and Mg
PublicationOxynitride phosphate glasses and glass-ceramics were prepared using new synthesis routes for phosphate glasses. Materials were melted from pre-prepared glass samples in the system Na-Ca-P-O with addition of Mg and/or Si3N4 powders under different preparation conditions. The melting process was conducted at 1000–1500 °C either under air or nitrogen atmosphere to obtain materials with different nitrogen content. Their topography...
-
Reversed-phase and normal-phase thin-layer chromatography and their application to the lipophilicity prediction of synthetic pyrethroids based on quantitative structure–retention relationships
Publication -
Effect of ionic size of dopants on the lattice structure, electrical and electrochemical properties of La2−xMxNiO4+δ (M = Ba, Sr) cathode materials
Publication -
Water vapor induced self-assembly of islands/honeycomb structure by secondary phase separation in polystyrene solution with bimodal molecular weight distribution
Publication