Filtry
wszystkich: 939
-
Katalog
Wyniki wyszukiwania dla: ARYL/PERFLUOROARYL INTERACTIONS
-
Theoretical investigation of the structural insights of the interactions of γ-Fe2O3 nanoparticle with (EMIM TFSI) ionic liquid
PublikacjaOne of the possible applications of ionic liquids is to produce electricity from heat. The iron oxide nanoparticle is a potent electrical particle, which is expected to improve the heat’s efficiency to electricity conversion, however, it is prone to aggregation and sedimentation, which hamper its application. One of the methods to enhance the nanoparticle’s solubility and electrical properties is the use of a stabilizing component...
-
GTR/Thermoplastics Blends: How Do Interfacial Interactions Govern Processing and Physico-Mechanical Properties?
PublikacjaIn this work, GTR/thermoplastics blends (in ratio 50/50 and 75/25 wt.%) were prepared by melt-compounding in an internal mixer. During research, trans-polyoctenamer rubber (TOR), ethylene-vinyl acetate copolymer (EVA), ethylene-octene copolymer (EOC), and linear low-density polyethylene (LLDPE), were used in their thermoplastic phase. Microstructure and processing-performance property interrelationships of the studied materials...
-
Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublikacjaOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
-
Convivium-Exchanges and Interactions in the Arts of Medieval Europe Byzantium and the Mediterranean
Czasopisma -
An experimental and theoretical study of the hetero Diels–Alder reactions between (E)-2-aryl-1-cyano-1-nitroethenes and ethyl vinyl ether: one-step or zwitterionic, two-step mechanism?
Publikacja -
Long-term changes in the Leucobryo-Pinetum community: interactions between the tree-stand, understorey and moss layer
Publikacja -
The influence of electron-electron and electron-phonon interactions on electron charge orderings in quasi-one-dimensional systems
Publikacja -
Synthesis, characteristics and mechanistic insight into the clays and clay minerals-biochar surface interactions for contaminants removal-A review
Publikacja -
Interactions of Nitroaromatic Compounds with the Mammalian Selenoprotein Thioredoxin Reductase and the Relation to Induction of Apoptosis in Human Cancer Cells
Publikacja -
A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system
Publikacja -
Fourier transform infrared spectroscopic and theoretical study of water interactions with glycine and its N-methylated derivatives
PublikacjaZbadano hydratację glicyny i jej metylowych pochodnych: N-metyloglicyny (NMG), N,N-dimetyloglicyny (DMG) i N,N,N-trimetyloglicyny (TMG) przy wykorzystaniu spektroskopii FTIR, z zastosowaniem cząsteczki HDO jako sondy molekularnej. Ilościowa wersja metody widm różnicowych pozwoliła na wyizolowanie widma wody zaburzonej przez substancję rozpuszczoną. Wyniki widmowe zostały skonfrontowane z obliczeniami teoretycznymi w ramach teorii...
-
Genetic Determinants of Antagonistic Interactions and the Response of New Endophytic Strain Serratia quinivorans KP32 to Fungal Phytopathogens
Publikacja -
Analysis of mixing rules for the Stillinger-Weber potential: a case study of Ge-Si interactions in the liquid phase
PublikacjaCiekły stop Ge_{0.25}Si_{0.75} symulowano metodą dynamiki molekularnej, przy użyciu potencjału Stillingera-Webera. Badano wpływ parametryzacji członu potencjału odpowiedzialnego za oddziaływania trójciałowe w trójkach nieidentycznych atomów na strukturę symulowanego stopu. Wpływ ten okazał się być znaczący.Zmiany w parametrach rzędu kilku procent skutkowały istotnymi różnicami w parowych funkcjach rozkładu, kątowych funkcjach rozkładu...
-
The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublikacjaMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
-
Synthesis, characterization, and interactions of single-walled carbon nanotubes modified with doxorubicin with Langmuir–Blodgett biomimetic membranes
PublikacjaThe synthesis, characterization, and the influence of single-walled carbon nanotubes (SWCNTs) modified with an anticancer drug doxorubicin (DOx) on the properties of model biological membrane as well as the comparison of the two modes of modification has been presented. The drug was covalently attached to the nanotubes either preferentially on the sides or at the ends of the nanotubes by the formation of hydrazone bond. The efficiency...
-
Electroactive polymer/graphene oxide nanostructured composites; evidence for direct chemical interactions between PEDOT and GOx
PublikacjaThis work concerns electrochemical synthesis of nanocomposites consisting of conducting polymer and reduced graphene oxide (rGOx) as electrode materials for supercapacitors. The electrosynthesis was performed in an aqueous solution of the 3,4-ethylenedioxytiophene (EDOT) monomer and graphene oxide (GOx) without supporting electrolyte. The amount of GOx was optimized to obtain the best electrochemical performance of the nanocomposite...
-
Effects of different external carbon sources and electron acceptors on interactions between denitrification and phosphorus removal in BNR processes
PublikacjaThe effects of two different external carbon sources (acetate, ethanol) and electron acceptors (dissolved oxygen, nitrate and nitrite) were investigated under aerobic and anoxic conditions with non-acclimated process biomass from a full-scale biological nutrient removal activated sludge system. When acetate was added as an external carbon source, phosphate release was observed even in the presence of electron acceptors. The release...
-
Perceived neighborhood disorder and quality of life: The role of the human-place bond, social interactions, and out-group blaming.
PublikacjaFour studies were carried out to examine how neighborhood disorder, human-place bonds, relationships among neighbors, and urban quality of life are related and what role blaming nonresidents plays in these relationships. In the first study, local identity was a significant mediator of the relationship between neighborhood disorder and quality of life. In the second study, we found that participants exposed to vignettes describing...
-
Exactly solvable model of two trapped quantum particles interacting via finite-range soft-core interactions
Publikacja -
Self-assembly and interactions of short antimicrobial cationic lipopeptides with membrane lipids: ITC, FTIR and molecular dynamics studies
Publikacja -
Current View on Green Tea Catechins Formulations, Their Interactions with Selected Drugs, and Prospective Applications for Various Health Conditions
Publikacja -
Human serum interactions with phenolic and aroma substances of Kaffir(Citrus hystrix) and Key lime (Citrus aurantifolia) juices
PublikacjaTo understand the therapeutic application of polyphenols extracted from Kaffir (PolKaf) and Key (PolKey) limesdifferent analytical methods were applied. Based on quantitative analysis by two dimensional gas chromato-graphy (GC×GC) and time of flight mass spectrometry (TOFMS) it can be observed that the biggest differencesin the contents of selected terpenes of Kaffir and Key limes occur in chemical compounds such as limonene, citraland...
-
Dipole-driven dynamics for near-threshold electron/positron interactions with pyrimidinic DNA bases: a path to compound formations
PublikacjaCalculations are reported for electron and positron scattering from isolated cytosine and thymine, where the two pyrimidinic single-ring DNA bases, in the gas-phase at energies near the elastic threshold, they reveal the special features of the dipole-driven scattering states. All molecules examined exhibit, in fact, supercritical (>1.67 D) permanent dipoles which can therefore also support, below threshold, excited bound compound...
-
Tipping point in plant–fungal interactions under severe drought causes abrupt rise in peatland ecosystem respiration
Publikacja -
Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
Publikacja -
Pharmacokinetics and pharmacodynamics of propofol and fentanyl in patients undergoing abdominal aortic surgery - a study of pharmacodynamic drug-drug interactions
Publikacja -
Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3′-diphenylalanine - a molecular docking study
Publikacja -
An Influence of the Aromatic Side Chains Conformations in Positions 2 and 3 of Vasopressin Analogs on Interactions with Vasopressin and Oxytocin Receptors
Publikacja -
Ionic liquids: predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solution
PublikacjaPublikacja zawiera modele pozwalające na przewidywanie współczynnika podziału oktanol-woda (log P), rozpuszczalności w wodzie oraz krytycznego stężenia micelizacji (CMC) cieczy jonowych oraz współczynników aktywności anionowej i hydrofobowości w wodzie i w mieszaninie oktanolu z wodą. Modele oparte są na liniowych zależnościach energii swobodnej (LFER) i wykorzystują parametry zmierzone i/lub wyliczone na podstawie funkcjonalnej...
-
Correlational nutritional relationships and interactions between expansive holoparasite Orobanche laxissima and woody hosts on metal-rich soils
Publikacja -
Understanding the interactions between protein stabilizers and the peptide bond through the analysis of the volumetric and compressibility properties for the model systems
PublikacjaThis work confirms our earlier supposition, that volumetric and acoustic parameters for simple model proposed by us are directly related to stabilizing/destabilizing effect of osmolytes on proteins structure. The apparent molar volumes, V and the apparent molar isentropic compressions, KS,, of glycine and N,N,N –trimethylglycine (betaine) were determined from densities and speed of sound measurements in aqueous solution of N-methylacetamide...
-
Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublikacjaSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
-
Characterization of the interactions between human high-molecular-mass kininogen and cell wall proteins of pathogenic yeasts, Candida tropicalis
Publikacja -
Potent antidiuretic agonists, deamino-vasopressin and desmopressin, and theirinversoanalogs: NMR structure and interactions with micellar and liposomic models of cell membrane
Publikacja -
Interactions between amphotericin B 3-(N',N'-dimethylamino)propyl amide and cellular membrane components in Langmuir monolayers
PublikacjaPublikacja zawiera charakterystykę monowarstw Langmuir'a tworzonych przez pochodną amfoterycyny B tj.amid 3-(N',N'-dimetyloamino)propylowy (AMA) oraz wyniki badań nad jej oddziaływaniem z cholesterolem, ergosterolem i fosfolipidami. Znaleziono, iż stan jonowy cząsteczki pochodnej AMA, a także jej wielkość mają znaczący wpływ na właściwości biologiczne związku.
-
Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublikacjaOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
-
Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publikacja1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
-
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...
-
International Conference on Advances in Computer-Human Interactions
Konferencje -
π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
-
Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
-
Biochar-mediated transformation of titanium dioxide nanoparticles concerning TiO2NPs-biochar interactions, plant traits and tissue accumulation to cell translocation
Publikacja -
Microwave plasma treatment of simulated biomass syngas: Interactions between the permanent syngas compounds and their influence on the model tar compound conversion
Publikacja -
Novel Cell Permeable Polymers of N-Substituted L-2,3-Diaminopropionic Acid (DAPEGs) and Cellular Consequences of Their Interactions with Nucleic Acids
Publikacja -
JOURNAL OF MUSCULOSKELETAL & NEURONAL INTERACTIONS
Czasopisma -
Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublikacjaFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
-
Current understanding of the effects of inspiratory resistance on the interactions between systemic blood pressure, cerebral perfusion, intracranial pressure, and cerebrospinal fluid dynamics
Publikacja -
Formation of Secondary and Supersecondary Structure of Proteins as a Result of Coupling Between Local and Backbone-Electrostatic Interactions: A View Through Cluster-Cumulant Scope
Publikacja -
Interactions between Marek’s disease virus Rispens/CVI988 vaccine strain and adenovirus field strain in chicken embryo fibroblast (CEF) cultures
Publikacja -
Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
Publikacja