A mathematical programming system for preference and compatibility maximized menu planning and scheduling

In this paper, the analytical representation of food preference is used in a separable non-linear program to yield the serving frequencies of menu items for a finite time horizon. The frequencies obtained in this way insure cost and nutritional control. Subsequently, the scheduling problem dealing with item assignments to meals and days is formulated as an integer program consisting of several transportation problems linked by weekly nutritional constraints. This problem is solved using a branch and bound algorithm which employs Lagrangian relaxation to obtain bounds and to decide on branching strategy.     

One‐Pot Three‐Component Synthesis of Hantzsch 1,4‐Dihydropyridines Promoted by Dimethyl Phosphate Ionic Liquids

A one‐pot three‐component reaction of ethyl acetoacetate, AcONH₄, and different aldehydes has been successfully performed in the presence of ionic liquids (ILs) possessing a (MeO)₂PO$\rm{{_{2}^{-}}}$ counterion. The impact of electronic and steric effects of the substituents of aromatic aldehydes, as well as the influence of different anions of ILs on the product yield, have been investigated. The application of dimethyl phosphate ILs in the synthesis of Hantzsch 1,4‐dihydropyridines presents a simple method for obtaining structurally diverse products in moderate to high yields without using any additional catalyst.     

Random Tensor Theory: Extending Random Matrix Theory to Mixtures of Random Product States

We consider a problem in random matrix theory that is inspired by quantum information theory: determining the largest eigenvalue of a sum of p random product states in \({(\mathbb {C}^d)^{\otimes k}}\), where k and p/d ^k are fixed while d → ∞. When k = 1, the Mar?enko-Pastur law determines (up to small corrections) not only the largest eigenvalue (\({(1+\sqrt{p/d^k})^2}\)) but the smallest eigenvalue \({(\min(0,1-\sqrt{p/d^k})^2)}\) and the spectral density in between. We use the method of moments to show that for k > 1 the largest eigenvalue is still approximately \({(1+\sqrt{p/d^k})^2}\) and the spectral density approaches that of the Mar?enko-Pastur law, generalizing the random matrix theory result to the random tensor case. Our bound on the largest eigenvalue has implications both for sampling from a particular heavy-tailed distribution and for a recently proposed quantum data-hiding and correlation-locking scheme due to Leung and Winter.Since the matrices we consider have neither independent entries nor unitary invariance, we need to develop new techniques for their analysis. The main contribution of this paper is to give three different methods for analyzing mixtures of random product states: a diagrammatic approach based on Gaussian integrals, a combinatorial method that looks at the cycle decompositions of permutations and a recursive method that uses a variant of the Schwinger-Dyson equations.     

Powder X‐Ray Diffraction Investigation of Xylazine Hydrochloride Solid Phase Transformation Kinetics

The kinetics of the solid‐state phase transformation of xylazine hydrochloride form X to A has been investigated using powder X‐ray diffraction and differential thermal analysis. Three different kinetic models have been used to describe transition kinetics: the Avrami–Erofeev equation, the Cardew equation, and the methodology for simulation of solid‐state phase transition kinetics by the combination of nucleation and nuclei growth processes. The latter has been recently developed and has been tested in this paper for the case of a real solid‐state transition. The relative humidity, mechanical pressure, temperature, and sample‐preparation effect on phase‐transition kinetics have been investigated, and rate constant changes have been analyzed.     

Spectroscopic Characterization and Reactivity of Triplet and Quintet Iron(IV) Oxo Complexes in the Gas Phase

Closely structurally related triplet and quintet iron(IV) oxo complexes with a tetradentate aminopyridine ligand were generated in the gas phase, spectroscopically characterized, and their reactivities in hydrogen‐transfer and oxygen‐transfer reactions were compared. The spin states were unambiguously assigned based on helium tagging infrared photodissociation (IRPD) spectra of the mass‐selected iron complexes. It is shown that the stretching vibrations of the nitrate counterion can be used as a spectral marker of the central iron spin state.     

Towards an unbiased metabolic profiling of protozoan parasites: optimisation of a Leishmania sampling protocol for HILIC-orbitrap analysis

Comparative metabolomics of Leishmania species requires the simultaneous identification and quantification of a large number of intracellular metabolites. Here, we describe the optimisation of a comprehensive metabolite extraction protocol for Leishmania parasites and the subsequent optimisation of the analytical approach, consisting of hydrophilic interaction liquid chromatography coupled to LTQ-orbitrap mass spectrometry. The final optimised protocol starts with a rapid quenching of parasite cells to 0 °C, followed by a triplicate washing step in phosphate-buffered saline. The intracellular metabolome of 4 × 10⁷ parasites is then extracted in cold chloroform/methanol/water 20/60/20 (v/v/v) for 1 h at 4 °C, resulting in both cell disruption and comprehensive metabolite dissolution. Our developed metabolomics platform can detect approximately 20% of the predicted Leishmania metabolome in a single experiment in positive and negative ionisation mode.      

Synthesis of triazole-functionalized tetrahydroindazolones by 1,3-dipolar cycloadditions between azides and alkynes

7-Azido-tetrahydroindazolones undergo efficient copper-catalyzed Huisgen 1,3-dipolar cycloaddition reactions with various alkynes leading to a straightforward synthesis of triazole-functionalized tetrahydroindazolones. The latter are interesting molecular platforms in terms of medicinal chemistry.