Lipase-Catalyzed Regio- and Stereoselective Acylation of Hydroxy Groups in Steroid Side Chains

 Lipase from Pseudomonas cepacia (PCL) catalyzes the regio- and stereoselective acylation of primary and secondary hydroxy groups in steroid side chains under irreversible transesterification conditions with vinyl acetate in organic solvents.     

Determination of benzene at trace levels in air by a novel method based on solid-phase microextraction gas chromatography/mass spectrometry.

A new method for the determination of benzene at trace levels in air is presented. The method consists of the collection of air samples on adsorbent cartridges with simultaneous adsorption of pre-established amounts of D6-labeled internal standard. Desorption from the cartridge is performed by solid-phase microextraction (SPME) with analysis by gas chromatography/mass spectrometry (GC/MS) using an ion trap mass spectrometer. The influence of several parameters (type of SPME fiber, temperature, time, for example) was investigated, and good linearity in the range 10-400 ng of C6D6, with a coefficient of variance (CV) around 3-5%, was obtained. The method was tested by sampling air in a town center in Italy, and a benzene concentration of approximately 50 microg/m(3) was determined. The maximum limit recommended by the European Community is 10 microg/m(3).     

Quasilinear elliptic inequalities on complete Riemannian manifolds

We prove maximum and comparison principles for weak distributional solutions of quasilinear, possibly singular or degenerate, elliptic differential inequalities in divergence form on complete Riemannian manifolds. A new definition of ellipticity for nonlinear operators on Riemannian manifolds is introduced, covering the standard important examples. As an application, uniqueness results for some related boundary value problems are presented.     

Existence,non-existence and regularity of radial ground states for p-Laplacian equations with singular weights

By the Mountain Pass Theorem and the constrained minimization method existence of positive or compactly supported radial ground states for quasilinear singular elliptic equations with weights are established. The paper also includes the discussion of regularity and the validity of useful qualitative properties of the solutions, which seems of independent interest. Finally, a Pohozaev type identity is produced to deduce some non-existence results.     

Global branches of periodic solutions for forced delay differential equations on compact manifolds

We prove a global bifurcation result for T-periodic solutions of the T-periodic delay differential equation x^′(t)=λf(t,x(t),x(t−1)) depending on a real parameter λ?0. The approach is based on the fixed point index theory for maps on ANRs.     

Wavelets and Elman Neural Networks for monitoring environmental variables

An application in cultural heritage is introduced. Wavelet decomposition and Neural Networks like virtual sensors are jointly used to simulate physical and chemical measurements in specific locations of a monument. Virtual sensors, suitably trained and tested, can substitute real sensors in monitoring the monument surface quality, while the real ones should be installed for a long time and at high costs. The application of the wavelet decomposition to the environmental data series allows getting the treatment of underlying temporal structure at low frequencies. Consequently a separate training of suitable Elman Neural Networks for high/low components can be performed, thus improving the networks convergence in learning time and measurement accuracy in working time.     

Adulteration of Essential Oils: A Multitask Issue for Quality Control. Three Case Studies: Lavandula angustifolia Mill., Citrus limon (L.) Osbeck and Melaleuca alternifolia (Maiden & Betche) Cheel

The quality control of essential oils (EO) principally aims at revealing the presence of adulterations and at quantifying compounds that are limited by law by evaluating EO chemical compositions, usually in terms of the normalised relative abundance of selected markers, for comparison to reference values reported in pharmacopoeias and/or international norms. Common adulterations of EO consist of the addition of cheaper EO or synthetic materials. This adulteration can be detected by calculating the percent normalised areas of selected markers or the enantiomeric composition of chiral components. The dilution of the EO with vegetable oils is another type of adulteration. This adulteration is quite devious, as it modifies neither the qualitative composition of the resulting EO nor the marker’s normalised percentage abundance, which is no longer diagnostic, and an absolute quantitative analysis is required. This study aims at verifying the application of the two above approaches (i.e., normalised relative abundance and absolute quantitation) to detect EO adulterations, with examples involving selected commercial EO (lavender, bergamot and tea tree) adulterated with synthetic components, EO of different origin and lower economical values and heavy vegetable oils. The results show that absolute quantitation is necessary to highlight adulteration with heavy vegetable oils, providing that a reference quantitative profile is available.     

Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN

Krüger some years ago proposed a cluster LiBeBCNOF, now called periodane. His ground-state isomer proposal has recently been refined by Bera et al. using DFT. Here, we take the approach of molecules in such a cluster as starting point. We first study therefore the triangular molecule LiOB by coupled cluster theory (CCSD) and thereby specify accurately its equilibrium geometry in free space. The second fragment we consider is FBeCN, but treated now by restricted Hartree-Fock (RHF) theory. This four-center species is found to be linear, and the bond lengths are obtained from both RHF and CCSD calculations. Finally, we bring these two entities together and find that while LiOB remains largely intact, FBeCN becomes bent by the interaction with LiOB. Hartree-Fock and CCSD theories then predict precisely the same lowest isomer found by Bera et al. solely on the basis of DFT.