Search results for "superstructure"
showing 10 items of 45 documents
Interactive Multiobjective Optimization of Superstructure SMB Processes
2009
We consider multiobjective optimization problems arising from superstructure formulation of Simulated Moving Bed (SMB) processes. SMBs are widely used in many industrial separations of chemical products and they are challenging from the optimization point of view. We employ efficient interactive multiobjec-tive optimization which enables considering several conflicting objectives simultaneously without unnecessary simplifications as have been done in previous studies. The interactive IND-NIMBUS software combined with the IPOPT optimizer is used to solve multiobjective SMB design problems. The promising results of solving a superstructure SMB optimization problem with four objectives demonst…
X-Ray Crystallographic Analysis of the Charge-Density Wave Modulated Phases in the NbTe4-TaTe4 System
1999
NbTe4 and TaTe4 belong to the important structural family CuAl2 (tl20) characterized by a tetragonal antiprismatic coordination of the minority component. The basic structures were first described by Selte and Kjekshus [1] and Selte and Bjerkelund [2]. In these structures the Te atoms form 1-D infinite columns of stacked tetragonal antiprisms along [001] which are centered by the metal atoms (Figure 1). The arrangement of the antiprismatic columns in the tetragonal a 1 a 2-plane yields short Te-Te contacts, forming Te2 pairs with covalent bonds of about 2.92 A. Thus, following the usual chemical arguments MTe4 (M=Nb,Ta) is a ditelluride of M(IV), i.e. M4+(Te 2 2- )2. The structure is strong…
57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.
2007
The compound [Cu(N,N'app)Cl](2)[Fe(CN)(6)].xH(2)O, with N,N'app being bis(N,N'-3-aminopropylpiperazine), was prepared and its structure determined by single crystal X-ray analysis, confirming a ratio of two copper complexes to one iron complex; (57)Fe Mössbauer spectra showed three quadrupole doublets typical of iron(iii) low spin species which call for the presence of a superstructure.
The route to protein aggregate superstructures: Particulates and amyloid-like spherulites.
2015
AbstractDepending on external conditions, native proteins may change their structure and undergo different association routes leading to a large scale polymorphism of the aggregates. This feature has been widely observed but is not fully understood yet. This review focuses on morphologies, physico-chemical properties and mechanisms of formation of amyloid structures and protein superstructures. In particular, the main focus will be on protein particulates and amyloid-like spherulites, briefly summarizing possible experimental methods of analysis. Moreover, we will highlight the role of protein conformational changes and dominant forces in driving association together with their connection w…
Revised structure of trans-resveratrol: Implications for its proposed antioxidant mechanism
2015
The crystal structure of trans-resveratrol has been redetermined by X-ray diffraction. The newly refined structure demonstrates that the previously reported, dynamically disordered hydrogen-bonding network is rather the superposition of two crystallographically independent molecules of trans-resveratrol. This latter arrangement possesses a well-defined hydrogen-bonding network in a unit cell of double the previously reported volume. While not meant as a criticism of the proposed antioxidant mechanism itself, the present studies clearly show that the X-ray diffraction data should no longer be used for its additional support.
Influence of B-site chemical ordering on the dielectric response of the Pb(Sc1/2Nb1/2)O3relaxor
2001
The influence of chemical B-site ordering between Sc3+ and Nb5+ cations on the properties of the Pb(Sc1/2Nb1/2)O3 (PSN) relaxor has been investigated. Depending of the degree of ordering, PSN exhibits different behaviours. For a completely disordered material, a relaxor–ferroelectric phase transition is observed at 379 K by DSC. Ordering between Sc3+ and Nb5+ cations on the B-site of the perovskite structure leads to a non-homogeneous material constituted of two phases: ordered and disordered phases. The phase transition temperature of the ordered phase is confirmed to be lower (346 K) than that of the disordered phase. It appears that the phase transition of the disordered phase is shifted…
Sustainable soy protein microsponges for efficient removal of lead (II) from aqueous environments
2023
Protein-based materials recently emerged as good candidates for water cleaning applications, due to the large availability of the constituent material, their biocompatibility and the ease of preparation. In this work, new adsorbent biomaterials were created from Soy Protein Isolate (SPI) in aqueous solution using a simple environmentally friendly procedure. Protein microsponge-like structures were produced and characterized by means of spectroscopy and fluorescence microscopy methods. The efficiency of these structures in removing Pb2+ ions from aqueous solutions was evaluated by investigating the adsorption mechanisms. The molecular structure and, consequently, the physico-chemical propert…
Thermotropic properties and molecular packing of discotic tristriazolotriazines with rigid substituents.
2014
Tristriazolotriazines with a threefold dialkoxyaryl substitution have been prepared by Huisgen reaction of cyanuric chloride and the corresponding tetrazoles. Although these dyes show a negative or inverted solvatochromism of the UV/Vis absorption, their fluorescence is strongly positive solvatochromic. These discotic fluorophores are also emissive in their solid state and in their broad liquid-crystalline mesophase. The structural study indicates that the thermotropic properties and organization of these systems can be well tuned by the steric demand of the aryl groups. Depending on the substituents, the compounds showed either a pure crystalline phase or a highly complex helical superstru…
Superconductivity and magnetism in Rb0.8Fe1.6Se2under pressure
2012
High-pressure magnetization, structural and 57Fe M\"ossbauer studies were performed on superconducting Rb0.8Fe1.6Se2.0 with Tc = 32.4 K. The superconducting transition temperature gradually decreases on increasing pressure up to 5.0 GPa followed by a marked step-like suppression of superconductivity near 6 GPa. No structural phase transition in the Fe vacancy-ordered superstructure is observed in synchrotron XRD studies up to 15.6 GPa, while the M\"ossbauer spectra above 5 GPa reveal the appearance of a new paramagnetic phase and significant changes in the magnetic and electronic properties of the dominant antiferromagnetic phase, coinciding with the disappearance of superconductivity. Thes…
Phase separation in superconducting and antiferromagneticRb0.8Fe1.6Se2probed by Mössbauer spectroscopy
2011
${}^{57}$Fe-M\"ossbauer studies of superconducting Rb${}_{0.8}$Fe${}_{1.6}$Se${}_{2.0}$ with ${T}_{C}$ $=$ 32.4 K were performed on single-crystalline and polycrystalline samples in the temperature range 4.2--295 K. They reveal the presence of 88% magnetic and 12% nonmagnetic Fe${}^{2+}$ species with the same polarization dependence of their hyperfine spectra. The magnetic species are attributed to the 16$i$ sites of the $\sqrt{5}\ifmmode\times\else\texttimes\fi{}\sqrt{5}\ifmmode\times\else\texttimes\fi{}1$ superstructure and the nonmagnetic Fe species to a nanosized phase observed in recent structural studies of superconducting K${}_{x}$Fe${}_{2\ensuremath{-}}$${}_{y}$Se${}_{2}$ systems ra…