Introduction Structure of plant phenolics or more hydroxy substituents Role of phenolics in olives Properties and function Phenolics as antioxidants Phenolics and fruit quality Factors affecting the phenolic profile of olives Varietal influences Other factors Olive development and maturation Processing and storage Oil production Table olives Analysis Sample preparation Quantification Chromatogr...

We propose a minimum principle to derive a QM/MM (quantum-mechanical/molecular-mechanical) method from the first principle. We approximate the Hamiltonian of a spectator substituent as the structure-dependent effective Hamiltonian in a least-squares sense. This effective Hamiltonian is expanded with the orthogonal operator set called the normal-ordered product. We determine the structure-depend...

Herein we report the first enantioselective total synthesis of (+)-dichroanone, confirming the absolute configuration of the natural product. This protecting group-free route features the first application of our enantioselective Tsuji allylation in the context of a natural product total synthesis. Additionally, this 11-step preparation of the molecule from commercial material features a novel ...

Annealing of alpha-lactose monohydrate at 408 K yielded a mixture of this compound with hygroscopic anhydrous alpha-lactose. A powder X-ray diffraction pattern of this mixture was recorded at room temperature. The starting structural model of hygroscopic alpha-lactose was found by a Monte Carlo simulated-annealing method. The final structure was obtained through Rietveld refinements, with soft ...

The 12-membered cyclo-penta-[b]indole ring system in the title compound, C13H13NO2, deviates only slightly from planarity (r.m.s. deviation = 0.051 Å). In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into sheets parallel to (100). The five-membered cyclopentanone ring is in slightly distorted envelope conformation with the C atom bearing the hydroxy substituent as the flap.

The title compound, C(12)H(8)ClN(3)O(3), in the crystalline state and in solution, exists in the azo form, as predicted by density functional theory (DFT) calculations. The mol-ecule is approximately planar [the dihedral angle between the rings is 1.83 (8)°], with the nitro group slightly twisted [13.4 (2)°] relative to the benzene ring. Translationally related mol-ecules form stacks along [010...

The title mol-ecule, C(11)H(10)N(2)O(6), has a Z conformation about the C=N bond of the oxime unit. There are significant twists from planarity throughout the mol-ecule, the most significant being between the hydroxy-imino and ester groups which are effectively orthogonal with an N-C-C-O(carbon-yl) torsion angle of 91.4 (2)°. The crystal packing features oxime-benzoyl O-H⋯O contacts that lead t...

A palladium-catalyzed arylation of hydrosiloxanes was developed for the synthesis of symmetrical and unsymmetrical siloxanes. Reactive functional moieties such as hydroxy or cyano groups were able to tolerate the reaction conditions and several novel unsymmetrical siloxanes were synthesized in moderate to high yield.