Search results for "bond"
showing 10 items of 3527 documents
Molecular Recognition by Hydrogen Bonding in Polyelectrolyte Multilayers
1997
Functional polyanions were prepared by copolymerization of sulfopropyl acrylate and sulfopropyl methacrylate with monomers bearing triaminopyrimidine or barbituric acid functionalities, respectively. Functionalized polyelectrolyte multilayers were assembled from these copolymers by stepwise alternating adsorption with poly(choline methacrylate). These multilayers are suited for molecular recognition of substrates that are complementary to the functional groups incorporated. Thus, multilayers containing triaminopyrimidine moieties selectively bind barbituric acid, and vice versa, when exposed to solutions of the 1:1 complex of barbituric acid and triaminopyrimidine. The molecular recognition…
Rheological modifiers based on supramolecular block copolymers: From weak associations to interconnected micelles
2019
Abstract The rheological spectra of poly(n-butyl acrylate) in the presence of a series of P(nBA-b-HEMA) rheology modifiers show a two-step relaxation process originating from the PnBA matrix and the self-assemblies. The HEMA segments are further grafted with strong, hydrogen bonding UPy groups, which both magnifies and slows down the relaxation of the assemblies. The extents of associations are enlightened by studying thermal transitions in DSC, morphological developments by SAXS, and description of rheological properties using a tube-based model. It is revealed that a weak association tendency, due to long hydrophobic blocks, leads to the formation of double-linear or star assemblies, whil…
Analysis of piezoelectric active patches performances by boundary element techniques
2008
This paper presents the analysis of active piezoelectric patches for cracked structures by Boundary Element Method. A two dimensional boundary integral formulation based on the multidomain technique is used to model cracks and to assemble the multi-layered piezoelectric patches to the host damaged structures. The fracture mechanics behavior of the repaired structures is analyzed for both perfect and imperfect interface between patches and host beams. The imperfect interface, representing the adhesive between two different layers, is modeled by using a “Spring Model” that involves linear relationships between the interface tractions, in normal and tangential directions, and the respective di…
Reply to comment on “A MRCI PS and CASSCF study of the ground state MgO dissociation energy”
1993
To compute the dissociation energy of MgO, the relationship among the size of the active space in CASSCF wavefunctions, the computed De and the continuity of ∂E/∂r is studied. Basis set influence is also considered. Finally, it is concluded that the dissociation energy of MgO referred to ground state atoms is 2.32±0.1 eV.
Solubility and acid-base properties and activity coefficients of chitosan in different ionic media and at different ionic strengths, at T=25°C
2009
Studies on the acid-base properties and solubility of a polyammonium polyelectrolyte (chitosan) with different molecular weights (MW 310 and 50 kDa), were performed at T=25 °C, in the pH range 2.5–7. The protonation of chitosan was investigated by potentiometry ([H+]-glass electrode) in NaCl, NaNO3 and mixed NaNO3+Na2SO4 ionic media, at different ionic strengths. Protonation constants were calculated as a function of dissociation degree α by means of two different models, namely, a simple linear model and the modified Henderson–Hasselbalch equation. Experimental data were also fitted using a model independent of α (Diprotic-like model), according to which the acid-base properties can be sim…
Hydrolysis and chemical speciation of dioxouranium(VI) ion in aqueous media simulating the major ion composition of seawater
2004
Abstract The hydrolysis and chemical speciation of the dioxouranium(VI) ion at 25 °C was studied in a number of binary electrolytes (LiCl, NaCl, MgCl2, CaCl2, Na2SO4) and some mixtures (NaCl–Na2SO4, NaNO3–Na2SO4, CaCl2–MgCl2) as well as artificial seawater (SSWE) as a function of ionic strength. The results in LiCl, CaCl2 and MgCl2 solutions confirmed the formation of (UO2)2(OH)22+, (UO2)3(OH)42+, (UO2)3(OH)5+ and (UO2)3(OH)7− species (at I=0 mol l−1: log Tβ22=−5.76, log Tβ34=−11.82, log Tβ35=−15.89 and log Tβ37=−29.26). For NaNO3, NaCl and artificial seawater the hydrolysis constant for the formation of the UO2(OH)+ species was also determined (at I=0 mol l−1: log Tβ11=−5.19). The results …
Modeling ATP protonation and activity coefficients in NaClaq and KClaq by SIT and Pitzer equations.
2006
Abstract The acid–base properties of Adenosine 5′-triphosphate (ATP) in NaCl and KCl aqueous solutions at different ionic strengths (0 I / mol L − 1 ≤ 5 for NaCl aq , 0 I / mol L − 1 ≤ 3 for KCl aq ) and at t = 25 °C were investigated. A selection of literature data on ATP protonation constants and on activity isopiestic coefficients was performed, together with new potentiometric measurements (by ISE-H + , glass electrode). Both literature and new experimental data were used to model the dependence on ionic strength and ionic medium of ATP protonation by SIT (Specific ion Interaction Theory) and Pitzer equations. In addition to values of first and second ATP protonation constants in…
OPTION VALUE CALCULATION AFFECTED COMPONENTS
2021
As the subprime credit crisis has attracted attention to financial derivative instruments, more frequently arises questions about fairvalue calculations. Over the time, different models had been introduced. All of those models take into account factors affectingprices. Mostly, factors used in calculations on the same type of financial instruments are approximately the same. Therefore questionarises, which factor affects price more and which less, with no matter which model would be used for fair value calculations. One offinancial derivative instrument types is options. Options are agreements, which give to option buyer rights to buy or sell underlyingasset. While the seller or writer of op…
Integrated simulation and optimization models for tracking international fixed income indices
2001
Portfolio managers in the international fixed income markets must address jointly the interest rate risk in each market and the exchange rate volatility across markets. This paper develops integrated simulation and optimization models that address these issues in a common framework. Monte Carlo simulation procedures generate jointly scenarios of interest and exchange rates and, thereby, scenarios of holding period returns of the available securities. The portfolio manager’s risk tolerance is incorporated either through a utility function or a (modified) mean absolute deviation function. The optimization models prescribe asset allocation weights among the different markets and also resolve b…
Insurance league: Italy vs. U.K
2003
Insurers are competing by adopting product innovations that provide the insured with integrated coverage for actuarial and financial risks. This article compares the contract structures of blended life policies between the insurance markets in Italy and the United Kingdom within the context of asset-liability management and welfare analysis. © Emerald Backfiles 2007.