A simulated annealing algorithm for resource constrained project scheduling problems

This paper presents a simulated annealing algorithm for resource constrained project scheduling problems with the objective of minimising makespan. In the search algorithm, a solution is represented with a priority list, a vector of numbers each of which denotes the priority of each activity. In the algorithm, a priority scheduling method is used for making a complete schedule from a given priority list (and hence a project schedule is defined by a priority list). The search algorithm is applied to find a priority list which corresponds to a good project schedule. Unlike most of priority scheduling methods, in the suggested algorithm some activities are delayed on purpose so as to extend search space. Solutions can be further improved by delaying certain activities, since non-delay schedules are not dominant in the problem (the set of non-delay schedules does not always include an optimal solution). The suggested algorithm is flexible in that it can be easily applied to problems with an objective function of a general form and/or complex constraints. The performance of the simulated annealing algorithm is compared with existing heuristics on problems prepared by Patterson and randomly generated test problems. Computational results showed that the suggested algorithm outperformed existing ones.     

Copper-D-penicillamine complex as potential contrast agent for MRI.

In vitro and in vivo proton T1 data are reported that demonstrate that the paramagnetic copper-D-penicillamine complex can be applied as a potential contrast agent to magnetic resonance imaging.     

Specific carbon-13 labelling of leucine residues in human growth hormone.

Biosynthetic human growth hormone specifically 13C-labelled in the carbonyl positions of all 26 leucine residues has been obtained by recombinant DNA techniques using 13C-labelled leucine and an E. coli strain that requires leucine. It is shown that, on the whole, the labelling is specific with no significant mislabelling as would have been the case had the 13C-labelled leucine been metabolized.     

A viscoelastic constitutive model of rubber under small oscillatory load superimposed on large static deformation considering the Payne effect

The viscoelastic behavior of carbon-black-filled rubber under small oscillatory loads superimposed on large static deformation is dealt with. In this class of problems, as the strain amplitudes of the load increase, the dynamic stiffness decreases, and this phenomenon is known as the Payne effect. Besides the effects of the static deformation and the frequencies of the superimposed dynamic load, the Payne effect is considered in this study. Influence factors are introduced in this model in order to consider the influence of static predeformation, the dynamic-strain-dependent properties, and frequency-dependent properties. For simplicity, separation of the three dominant variables, frequency, prestatic deformation, and dynamic amplitude of strain, is assumed. The Kraus model is used for describing the Payne effect. Dynamic tension tests are executed to obtain the model parameters and also for the verification of the proposed model. The suggested constitutive equation shows reasonable agreement with test data.     

Analysis of fragrance compounds in blood samples of mice by gas chromatography, mass spectrometry, GC/FTIR and GC/AES after inhalation of sandalwood oil.

After inhalation experiments with sandalwood oil and the pure fragrance compounds coumarin and alpha-terpineol, substances were detected and measured in the blood samples of test animals (mice) using gas chromatography/mass spectrometry (GC/MS) (MID) in connection with GC/FTIR (SWC), GC/AES (carbon and oxygen trace) and flame ionization detection/gas chromatography. Using tiglinic acid benzyl ester as the internal standard the following concentrations in serum could be found: alpha-santalol 6.1 ng/mL, beta-santalol 5.3 ng/mL and alpha-santalene 0.5 ng/mL. In separate inhalation experiments with coumarin and with alpha-terpineol the corresponding concentrations were 7.7 ng/mL and 6.9 ng/mL, respectively.     

Crystallization-induced asymmetric transformation. Application to conjugate addition of benzylamine to amides of benzoylacrylic acid

Adducts of the conjugate addition of benzylamine to enantiopure amides of aroylacrylic acid possess high enantiomeric and diastereomeric purity. A high degree of stereoselectivity has been achieved by means of crystallization-induced asymmetric transformation. A practical synthesis leading to dipeptides containing homophenylalanine is depicted.     

Efficient synthesis of ferrocenylenones by Friedel-Crafts acylation with EtAlCl2-Me3Al

Efficient synthesis of ferrocenylenones using a Friedel-Crafts acylation reaction is described. Acryloyl, methacryloyl, crotonoyl, cinnamoyl, and β-methylcrotonoyl chlorides react with ferrocene in the presence of a Lewis acid (EtAlCl₂ or EtAlCl₂-Me₃Al) to give the corresponding ferrocenylenones (acryloyl, methacryloyl, crotonoyl, cinnamoyl, and methylcrotonoylferrocenes) in good isolated yields. Besides ferrocenylenones, chloroactylferrocene is also synthesised by this method.     

Reaction of silyl ketene acetals with epoxides: a new method for the synthesis of γ-butanolides

Titanium tetrachloride promoted reaction of silyl ketene acetals with epoxides, followed by acidic work-up, affords butanolides in moderate/good yields. With epihalohydrins the reaction is regioselective and occurs at the less substituted end of the epoxide; the γ-haloalkyl-γ-butanolides thus obtained can be further transformed into various products.     

Influence of the H/F replacement on the homoaromaticity of homotropylium ion: a GIAO/DFT theoretical study

The problem of homoaromaticity in mono-, di- and polyfluorinated- homotropylium cations is addressed by the B3LYP/6-311++G** DFT method. The energetic, structural and magnetic criteria are used for this purpose. They convincingly show that the ground state equilibrium species are aromatic, or in other words that the homoaromaticity is preserved by the (poly)fluorination. In contrast, a considerable decrease in the aromatic stabilization is observed in the transition structures (TS). According to the NICS(0) index, they vary form strongly antiaromatic, via weakly and non-aromatic to slightly aromatic transition states. However, the hierarchy of the aromaticity in fluorinated homotropylium ions predicted by NICS(0) is completely unrelated to that obtained by using the energy criterion assuming a kinetic definition of aromaticity. On the other hand the latter is closely related to geometric parameters of the equilibrium and transition structures.