Search results for "MOLECULE"
showing 10 items of 5162 documents
Amphiphilic Polyethers of Controlled Chain Architecture
2003
The amphiphilic polymers, polymers which contain in their macromolecules both hydrophilic and hydrophobic units1, are the base for valuable materials due to their diversified interaction with liquids. So they may act as emulsifiers, compatibilizers, “smart” materials (responding to external stimuli)2 and many others. In order to control their properties, the hydrophilic — hydrophobic balance in the macromolecules has to be controlled. This balance depends not only upon the constitution of the chain repeating units, but also upon the art of their distribution in the chains (copolymers of controlled unit sequences), the chain topology, the size of the chains and many others. So a careful engi…
Extrinsicvs.intrinsic luminescence and their interplay with spin crossover in 3D Hofmann-type coordination polymers
2020
The research of new multifunctional materials, as those undergoing spin crossover (SCO) and luminescent properties, is extremely important in the development of further optical and electronic switching devices. As a new step towards this ambitious aim, the coupling of SCO and fluorescence is presented here following two main strategies: whether the fluorescent agent is integrated as a part of the main structure of a 3D SCO coordination polymer {FeII(bpan)[MI(CN)2]2} (bpan = bis(4-pyridyl)anthracene, MI = Ag (FebpanAg), Au (FebpanAu)) or is a guest molecule inserted within the cavities of the 3D switchable framework {FeII(bpb)[MI(CN)2]2}·pyrene (bpb = bis(4-pyridyl)butadiyne, MI = Ag (FebpbA…
Synthesis of bi- and tricyclic β-lactam libraries in aqueous medium
2007
Water as a solvent is not only inexpensive and environmentally benign, but may allow good reactivity. The present work focuses on the application of a modified Ugi reaction, i.e. the Ugi four-centre three-component reaction (U-4C-3CR), in aqueous medium to construct β-lactam libraries. All the attempted reactions could be successfully performed in water. The reaction conditions under which the precipitation process was effective were investigated; no further work-up or purification was necessary. In several cases when less water-soluble β-amino acids were used, the precipitated products were isolated easily by simple filtration. In other cases, evaporation of the solvent was appropriate for…
The Catalytic Effect of Fluoroalcohol Mixtures Depends on Domain Formation
2017
In the present contribution, we investigated catalytically active mixtures of 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and aqueous H2O2 by molecular dynamics simulations. It is clearly observable that the HFIP molecule strongly binds to the H2O2, which is necessary for the desired catalytic reaction to occur. Upon the addition of the substrate cyclooctene to the solution, this interaction is enhanced, which suggests that the catalytic activity is increased by the presence of the hydrocarbon. We could clearly observe the microheterogeneous structure of the mixture, which is the result of the separation of the hydroxyl groups, water, and H2O2 from the fluorinated alkyl moiety in the form of l…
Function of biomolecules as a probe for studying the effects of organic co-solvents on their conformations
1980
Abstract Conformation changes associated with the function of biomolecules can bring out variations of the extent and specific structure of their hydrophobic areas exposed to solvent, with consequent local rearrangements of the solvent. This is one of the channels through which the solvent exerts its role in the functional equilibria of biomolecules. The function of biological macromolecules in perturbed aqueous solvent can therefore be a suitable probe for studying the response of macromolecule-solvent systems to perturbations caused by organic co-solvents. We shall discussed the effects that the presence of some monohydric alcohols and some amides in the aqueous medium have on some thermo…
Copolymers sensitive to temperature and pH in water and in water+oil mixtures: A DSC, ITC and volumetric study
2011
Block copolymer micelles are receiving an increasing interest because of the variety of structures and the possibilities to tune them by changing external and internal parameters achieving the desired properties for a specific purpose. We have investigated the acid/base behavior, self-assembling and solubilization ability towards polar oils of star-like copolymers named Tetronics. They are composed of branched four-arms each one consisting of two blocks made of EO and PO units linked to the diethylenediamine group, which confers pH response ability. The copolymers T1107 and T90R4 were studied with a sequential and reverse architecture. The thermodynamics of the acid/base equilibrium was stu…
Cooperative Effects in Aminothiols: Acid-Base Equilibria and the Molecular Structure of 2-(N, N-Dimethylaminomethyl)thiophenol
2008
Abstract 2-(N,N-Dimethylaminomethyl)thiophenol, (1, HL), is present as a non-zwitterionic aminothiol in the solid state, exhibiting an intramolecular S-H···N hydrogen bond. The S···N distances of the two independent molecules in the asymmetric unit are 2.929(10) and 3.050(10) Å. This structural feature is also present in an ab initio (MP2/6-31G*) optimized molecular structure. The investigation of the hydrogen bond by ab initio methods supports an n(N)-σ *(S-H) interaction as the reason for this bond type. On the basis of data from potentiometric acid-base titrations of a 0.01 M aqueous solution of [H2L]Cl with a 0.1 M aqueous solution of sodium hydroxide, values of 4.09±0.01 and 11.50±0.01…
Role of pH in the synthesis and growth of gold nanoparticles using L-asparagine: a combined experimental and simulation study
2020
Abstract The use of biomolecules as capping and reducing agents in the synthesis of metallic nanoparticles constitutes a promising framework to achieve desired functional properties with minimal toxicity. The system’s complexity and the large number of variables involved represent a challenge for theoretical and experimental investigations aiming at devising precise synthesis protocols. In this work, we use L-asparagine (Asn), an amino acid building block of large biomolecular systems, to synthesise gold nanoparticles (AuNPs) in aqueous solution at controlled pH. The use of Asn offers a primary system that allows us to understand the role of biomolecules in synthesising metallic nanoparticl…
Species-specific aggregation factor in sponges : VIII. Nature and alteration of cell surface charge.
1977
Isolated cells from the siliceous spongeGeodia cydonium have been studied with respect to their partition behaviour in a two-phase aqueous polymer system. With this method it is possible to determine subtle changes in the cell surface charge. Addition of a homologous aggregation factor to the isolated cells lowers the partition rate, a finding which indicates that after binding of the aggregation factor to the cells their surface charge is reduced. The partition rate of the cells is strongly correlated with their content of membranebound sialic acid. Sixty-nine percent of the total, membrane-bound hexuronic acid is associated with the aggregation receptor; 1.8×107 aggregation receptor molec…
Introduction to the microsymposium and on the modulation of thermodynamic parameters relative to biomolecule-solvent interactions
1980
Abstract As a result of introducing a macromolecule in a solvent, changes in the structures of both solute and solvent are generally found. In this specific meaning we refer here to ‘relaxation phenomena’. The discussion will either concern or keep in a view the case of biomolecules and to which extent these changes are involved in their thermodynamic stability or functional structure: Dr. Ben-Naim will discuss hydrophobic interactions and structural changes in the solvent; Dr. Wen will focus on thermodynamic properties of aqueous solutions on hydrophobic solutes; Dr. Cordone, Dr. Fornili and myself shall discuss results of experiments concerning solutes on several types(proteins, polynucle…