To evaluate the antiallergic effects of oral benzaldehyde in a murine model of allergic asthma and rhinitis, we divided 20 female BALB/c mice aged 8-10 weeks into nonallergic (intraperitoneally sensitized and intranasally challenged to normal saline), allergic (intraperitoneally sensitized and intranasally challenged to ovalbumin), and 200- and 400-mg/kg benzaldehyde (allergic but treated) grou...

Working within the Tamm-Dancoff approximation, we calculate the derivative couplings between time-dependent density-functional theory excited states by assuming that the Kohn-Sham superposition of singly excited determinants represents a true electronic wavefunction. All Pulay terms are included in our derivative coupling expression. The reasonability of our approach can be established by notin...

In the title compound, C(12)H(11)N(3)O(3), the dihedral angle between the 3-nitro-benzaldehyde and 5-amino-3,4-dimethyl-1,2-oxazole moieties is 2.46 (12)°. The mol-ecule is close to planar, the r.m.s. deviation for the non-H atoms being 0.028 Å. The packing only features van der Waals inter-actions between the mol-ecules.

The title compound, C(12)H(13)ClO(2), was prepared by the direct asymmetric inter-molecular aldol reaction of cyclo-penta-none and 4-chloro-benzaldehyde catalysed by l-tryptophan in water. The absolute mol-ecular structure was determined to be a racemic twin with 91% (2R,3R) isomer and 9% of the (2S,3S) form. In the crystal structure, the mol-ecules are connected into a one-dimensional chain al...

In the title compound, C(15)H(11)NO(3), the two essentially planar benzaldehyde groups [maximum deviations = 0.0487 (12) and 0.0205 (10) Å] are inclined at a dihedral angle of 72.64 (6)° with respect to each other. The bridging C-C-N-C torsion angle is 22.58 (18)°. In the crystal, inter-molecular bifurcated acceptor N-H⋯O and C-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers in...

The palladium (II) bis-chelate Pd (L(1-3))(2) and platinum (II) tetranuclear Pt(4)(L(4))(4) complexes of benzaldehyde thiosemicarbazone derivatives have been synthesized, and characterized by elemental analysis and IR, FAB(+)-mass and NMR ((1)H, (13)C) spectroscopy. The complex Pd(L(2))(2) [HL(2) = m-CN-benzaldehyde thiosemicarbazone] shows a square-planar geometry with two deprotonated ligands...

Experimental structural data on the state of substrates bound to class 3 Aldehyde Dehydrogenases (ALDH3A1) is currently unknown. We have utilized molecular mechanics (MM) simulations, in conjunction with new force field parameters for aldehydes, to study the atomic details of benzaldehyde binding to ALDH3A1. Our results indicate that while the nucleophilic Cys243 must be in the neutral state to...

Pd nanoparticles supported on carbon nanotubes (CNTs) showed a higher selectivity than Pd nanoparticles supported on activated carbon (AC) in the liquid phase oxidation of benzylic alcohol to benzaldehyde. Under solventless conditions a significant improvement in selectivity was observed for Pd/CNTs, whereas using Pd/AC a considerable over-oxidation of benzaldehyde was observed. Differently fro...

The title compound, C(12)H(10)N(4)O, is a Schiff base obtained from the condensation of diamino-maleonitrile and 2-hy-droxy-3-methyl-benzaldehyde. The mol-ecule is roughly planar, with an r.m.s. deviation of 0.0354 Å, and adopts the phenol-imine tautomeric form. An intra-molecular O-H⋯N hydrogen bond involving the O-H group and the azomethine N atom generates an S(6) ring. In the crystal, there...

This thesis deals with the development of new methods for efficient synthesis and analysis in asymmetric catalysis. It focuses on the preparation of chiral cyanohydrins by enantioselective addition of cyanide to prochiral aldehydes. The initial part of the thesis describes the development of a dual Lewis acid– Lewis base activation system for efficient synthesis of chiral O-acylated and Ocarbon...