Elasticity in nanocrystalline Nd2Fe14B+αFe magnetic composites

The dynamic Young modulus (E) of magnetic Nd₂Fe₁₄B+αFe nanocomposites is investigated with mechanical spectroscopy techniques (vibrating reed configuration, f≈1.5 kHz <10⁻⁶). Reduced values of E are obtained (88–152 GPa) as compared with that predicted by the rule of mixtures for the composite (164 GPa). Three contributions to this reduction are briefly discussed: a large volume fraction of the specimen with grain boundary like structure; internal pores, resulting from the high cooling rate during processing (10⁶ K/min) and magneto-mechanical effects. Even when porosity is identified as the principal cause of modulus reduction, magnetic effects are also detected.     

Crystallization of Arthrobacter sp. strain 1C N-(1-D-carboxyethyl)-L-norvaline dehydrogenase and its complex with NAD+

The novel NAD+-linked opine dehydrogenase from a soil isolate Arthrobacter sp. strain 1C belongs to an enzyme superfamily whose members exhibit quite diverse substrate specificites. Crystals of this opine dehydrogenase, obtained in the presence or absence of co-factor and substrates, have been shown to diffract to beyond 1.8 ? resolution. X-ray precession photographs have established that the crystals belong to space group P21212, with cell parameters a = 104.9, b = 80.0, c = 45.5 ? and a single subunit in the asymmetric unit. The elucidation of the three-dimensional structure of this enzyme will provide a structural framework for this novel class of dehydrogenases to enable a comparison to be made with other enzyme families and also as the basis for mutagenesis experiments directed towards the production of natural and synthetic opine-type compounds containing two chiral centres.     

Valgran, a program for potentiometric titrations with a versatile automatic modular system

A very flexible modular system for use with a portable IBM PC for potentiometric titrations is described. The appropriate software has been developed in order to obtain automatic end-points, and conventional, first-derivative, second-derivative and Gran curves, as well as a listing of the potentiometric points expressed in different ways. All these alternatives are selectable on menu presentations. The potentiometric system has been applied both the research and routine problems.     

Anelastic relaxation of Pr1/2Ca1/2MnO3 at low and medium frequencies in the 350–500 K range

In previous works (Jornadas SAM 2000; J. Magn. Magn. Mater. 226–230 (2001) 988) the low-frequency anelastic effects of two manganite perovskites of La_2/3Sr_1/3MnO₃ and La_2/3Ca_1/3MnO₃ were studied at 1 Hz and temperatures above those of the metal–insulator transition. An important internal friction peak (P1) appears at 414 and 419 K, respectively, with a modulus variation and no appreciable contribution to electrical resistivity. Another compound Pr_1/2Ca_1/2MnO₃ of the same family has been studied by anelastic mechanical spectroscopy in order to add new data which could elucidate the (P1) peak mechanism. The measurements were made in a sub-resonant forced pendulum (0.1–20 Hz) and in a vibrating reed equipment (kHz range). A stable (P1) peak has been detected at 410 K (1 Hz), with a corresponding modulus step. The appearance of this relaxation peak in the Pr_1/2Ca_1/2MnO₃ compound, and its high activation energy value, similar to the other compounds measured, indicates that the microscopic origin of this relaxation does not correspond to an oxygen jump (characteristic activation energy0.8–0.9 eV).     

Chemometric models for the quantitative descriptive sensory analysis of Arabica coffee beverages using near infrared spectroscopy

Mathematical models based on chemometric analyses of the coffee beverage sensory data and NIR spectra of 51 Arabica roasted coffee samples were generated aiming to predict the scores of acidity, bitterness, flavour, cleanliness, body and overall quality of coffee beverage. Partial least squares (PLS) were used to construct the models. The ordered predictor selection (OPS) algorithm was applied to select the wavelengths for the regression model of each sensory attribute in order to take only significant regions into account. The regions of the spectrum defined as important for sensory quality were closely related to the NIR spectra of pure caffeine, trigonelline, 5-caffeoylquinic acid, cellulose, coffee lipids, sucrose and casein. The NIR analyses sustained that the relationship between the sensory characteristics of the beverage and the chemical composition of the roasted grain were as listed below: 1 - the lipids and proteins were closely related to the attribute body; 2 - the caffeine and chlorogenic acids were related to bitterness; 3 - the chlorogenic acids were related to acidity and flavour; 4 - the cleanliness and overall quality were related to caffeine, trigonelline, chlorogenic acid, polysaccharides, sucrose and protein.     

Harmonic generation in bismuth triborate (BiB3O6)

We report a study of second- and third-harmonic generation in BiB₃O₆ (BiBO). The effective nonlinearity, phase-matching angle, acceptance bandwidth, and walk-off are calculated and analyzed within the principal planes of the optical indicatrix. In the experiment, the phase-matched harmonic generation is investigated within the xz and yz planes. Also, the temperature dependence of the noncritical phase matching for laser radiation propagating along the z axis is measured for second-harmonic generation (SHG) at crystal temperatures of 25–265^∘C. The corresponding wavelengths of the laser radiation are in the range of 1.16 to 1.34μm. In addition, SHG of 1342-nm radiation of a q-switched Nd:YVO₄ laser system is investigated for noncritical and critical phase matching. The achieved conversion efficiencies are 59% and 20%, respectively. Besides SHG, third-harmonic generation (THG) of 1064-nm, ns laser pulses is investigated. The measured conversion efficiency is as high as 34%. For THG the properties of BiBO are compared with those of BBO and LBO.     

Conformational properties of α- and β-azabicyclane opiates. The effect of conformation on pharmacological activity

Conformational energy calculations using the MM 2 (molecular mechanics II) program are reported for diastereoisomeric α- and β-azabicyclanes (3-methyl-9-methoxy-9-phenyl-3-azabicyclo [3.3.1] nonanes) which are prototypical phenyl-axial and phenyl-equatorial opiates. After energy minimization, both compounds are found to prefer a chair–chair conformation of the piperidine and cyclohexane rings with two mirror image orientations of the phenyl and methoxyl groups. The calculations also indicate that the equilibrium conformations of the phenyl and methoxyl groups are very similar in the two diastereoisomers. A morphine-like conformation of the phenyl group was found to be very unfavorable because of a high barrier to rotation of the phenyl group. This does not have an apparent effect on opiate agonist properties, but does result in a significant weakening of the antagonist activity of the N-allyl derivative of α-azabicyclane. This is discussed in terms of a model for phenyl-axial and phenyl-equatorial opiate substrates which accounts for both similarities and differences in their structure–activity relationships. A detailed comparison is also made between the computed structures and those observed by x-ray crystallography with excellent agreement between the two.     

Synthesis of side chain truncated 3"-aldehyde, 3"-carboxylic acid, and 1"-aldehyde from nodulisporic acid A

An efficient synthesis of the truncated 3"-aldehyde (3) from nodulisporic acid A (1) under mild conditions is described. Further oxidation of 3 to 3"-carboxylic acid (4) and its subsequent oxidative degradation produced 1"-aldehyde (5). These new derivatives are versatile intermediates for the preparation of new, side chain modified derivatives of nodulisporic acid A. [reaction: see text]