Hydrodynamic Regimes of Heat and Mass Transfer Apparatuses with a Moving Packing

Hydrodynamic regimes of heat and mass transfer apparatuses with a moving packing are considered. Relations defining the critical velocity, the loss of momentum in the working area, and the dynamic thickness of the layer of packing elements are obtained which are necessary for engineering calculations.     

Synthesis of Cu–Cr diketo,sublimable, eutectic composite complex,rod crystals from LDH as suitable MOCVD precursor of CuCr2O4 catalysts upon ceramic preforms for N2O decomposition

Metal-acteylacetonates are important sublimable metal-organic precursors for metal-oxide thin film formation over solid preforms by MOCVD (Metal Organic Chemical Vapour Deposition) technique. Mixed-metal-acetylacetonates (MMAA) are suitable starting materials for mixed metal nano-oxidic thin film formation through such facile routes. Layered Double Hydroxides (LDH) of suitable metal ion combination can perform as appropriate starting base for neutralisation by enol form of 2,4-pentanedione or acteylacetonate tautomer ligands to obtain such MMAA. In this paper synthesis of composite crystals of Cu(II)/Cr(III) acetylacetonates (CCAA) is reported by the reaction of Cu–Cr-LDH with acetylacetone. The products were characterized by various different techniques. The surface area and pore volume analysis of the crystals showed the formation of nanopores in the compound. TEM analysis confirmed that the inner core of the nanoporous crystals of Cu(acac)₂ was covered by coating of poorly crystallised Cr(acac)₃ and they together form the composite crystals, and they together form the composite crystals. Due to eutectic mixture formation the melting point of CCAA lies in between the melting points of individual components Cu(acac)₂ and Cr(acac)₃ and shows sublimability, a property important for the formation of MOCVD films. The composite was used for CuCr₂O₄ spinel mixed oxide films formation over solid ceramic honeycomb monolithic substrates. Application prospects of the route in the field of catalysis is high as it can directly combine the benefits of mixed metal oxide catalysis and structured supports without the involvement of a third component. In this work the performance of such a catalytic device has been tested for low temperature decomposition of high Global Warming Potential (GWP) gas N₂O to N₂ and O₂.     

A rapid and sensitive bioanalytical LC–MS/MS method for the quantitation of a novel CDK5 inhibitor 20–223 (CP668863) in plasma: Application to in vitro metabolism and plasma protein-binding studies

A rapid, selective, and sensitive liquid chromatography coupled with tandem mass spectrometry (MS/MS) method was developed and validated for the quantitation of the novel CDK5 inhibitor ‘20–223' in mouse plasma. Separation of analytes was achieved by a reverse-phase ACE Excel C₁₈ column (1.7 μm, 100 × 2.1 mm) with gradient elution using 0.1% formic acid (FA) in methanol and 0.1% FA as the mobile phase. Analytes were monitored by MS/MS with an electrospray ionization source in the positive multiple reaction monitoring mode. The MS/MS response was linear over the concentration range 0.2–500 ng/mL for 20–223. The within- and between-batch precision were within the acceptable limits as per Food and Drug Administration guidelines. The validated method was successfully applied to plasma protein binding and in vitro metabolism studies. Compound 20–223 was highly bound to mouse plasma proteins (>98% bound). Utilizing mouse S9 fractions, in vitro intrinsic clearance (CL_int) was 24.68 ± 0.99 μL/min/mg protein. A total of 12 phase I and II metabolites were identified with hydroxylation found to be the major metabolic pathway. The validate method required a low sample volume, was linear from 0.2 to 500 ng/mL, and had acceptable accuracy and precision.     

Characterization of embeddings of Sobolev-type spaces into generalized Hölder spaces defined by Lp-modulus of smoothness

We prove a sharp estimate for the k-modulus of smoothness, modelled upon a $L^p$-Lebesgue space, of a function f in $W^k{L}^{\frac{pn}{n+kp},p}(\mathrm{\Omega })$, where Ω is a domain with minimally smooth boundary and finite Lebesgue measure, $k,n\in \mathbb{N}$, $k<n$ and $\frac{n}{n?k}<p<+\infty$. This sharp estimate is used to establish necessary and sufficient conditions for continuous embeddings of Sobolev-type spaces into generalized Hölder spaces defined by means of the k-modulus of smoothness. General results are illustrated with examples. In particular, we obtain a generalization of the classical Jawerth embeddings.     

Abnormal Nucleophilic Substitution on Methoxytropone Derivatives: Steric Strategy to Synthesize 5-Substituted Azulenes

Azulene is a non-alternant non-benzenoid aromatic system, and in turn, it possesses unusual photophysical properties. Azulene-based conjugated systems have received increasing interest in recent years as optoelectronic materials. Despite the routes available for the preparation of substituted azulene derivatives, there remain few methods that allow regioselective substitution on the seven-membered ring of azulenes due to the subtle reactivity difference among the various positions. This report explores the reactivity of substituted tropolones as the azulene precursors and also provides a new method to create 5-substituted azulenes. The reaction of cyanoacetate enolate with unsubstituted 2-methoxytropone affords azulene through the attack of the nucleophile on the C-2 center (normal pathway). We have observed that 3-substituted 2-methoxytropones undergo steric-guided nucleophilic addition at the C-7 center (abnormal pathway) to afford 5-substituted azulene derivatives. Based on this observation and DFT calculation, a new synthetic strategy is devised for the regioselective synthesis of 5-substituted multifunctional azulenes, which cannot be accessed by any other method.     

Interaction between the end groups and the main chain of conjugated polymers by time-resolved EPR and fluorescence spectroscopy

ABSTRACT

Interaction between a zinc porphyrin (ZnPor) as the end-group and poly(9,9-di-n-octylfluorene-2,7-vinylene) (PFV) as the main chain in a porphyrin end-modified fluorescent conjugated polymer, ZnPFV, was studied by time-resolved electron paramagnetic resonance (EPR) and fluorescence spectroscopy. While fluorescence from the PFV part of ZnPFV showed a spectral profile almost identical to that of a PFV oligomer without end-modification, the emission spectrum of the ZnPor part exhibited a much broader profile compared to that of the reference zinc porphyrin monomer. Based on the analysis of lifetimes and quantum yields, it was found that radiative rate constant of the ZnPor part was enhanced by nearly three times. The observed unusual enhancement in the radiative rate constant was rationalised in terms of a partial π-conjugation between the end group and the main chain, as a result of co-planarisation in fluid solution. On the other hand, the time-resolved EPR spectrum of ZnPFV at 100?K basically showed a similar spectral pattern to that of the reference zinc porphyrin, but with significant differences in zero-field spitting parameters and initial population ratios. The π-system of the excited triplet state is deduced to deviate from D_4h symmetry in the end zinc porphyrin groups. The obtained results show that interaction of the porphyrin end group with the main chain of the polymer significantly influences the excited singlet state properties of the porphyrin, while its triplet state properties were affected to a lesser extent.     

DNA interaction,cytotoxicity and molecular structure of cobalt complex of 4‐amino‐N‐(6‐chloropyridazin‐3‐yl)benzene sulfonamide in the presence of secondary ligand pyridine

Novel cobalt complex of 4‐amino‐N‐(6‐chloropyridazin‐3‐yl)benzene sulfonamide (sulfachloropyridazine) has been synthesized and characterized by elemental analysis, FT‐IR spectroscopy and magnetic susceptibility (VSM). Cobalt complex of Sulfachloropyridazine (Co‐SCP) crystallized in monoclinic space group P2₁/n with Z = 4. The structure is solved by direct method and refined to R = 0.099 for 4720 reflections with I ?4σ(I). The results of FT‐IR spectra suggest the binding of cobalt atom to the sulfonamide ligand which is in agreement with the crystal structure determination. In crystal structure, molecule is linked via, C‐H … π, C‐Cl … π and π … π intermolecular interactions. The computational studies like the optimization energy and root means square deviation compare with single crystal structure, frontier molecular orbital (Homo‐Lumo energy) and binding energy of the Co‐SCP has been carried out using DFT/B3LYP level of theory in gaseous phase. Hirshfeld surfaces and the 2D‐fingerprint analysis are performed to study the nature of interactions and their measurable contributions towards crystal packing. The interaction of the complex with DNA is investigated using viscosity measurement and absorption titration studies. The result shows the complex bind to DNA with intercalative mode with high DNA‐binding constant (K_b). Also, in vivo and in vitro cytotoxic studies are performed using S. pombe cells and brine shrimp lethality bioassay. DNA‐cleavage study shows better cleaving ability of the complex.