Analysis of Decomposition Algorithms with Benders Cuts for p-Median Problem

In this paper the algorithms for solving the p-median problem based on the Benders decomposition are investigated. A family of problems hard for solving with such algorithms is constructed and then generalized to a special NP-hard case of the p-median problem. It is shown that the effectiveness of the considered algorithms depends on the choice of the optimal values of the dual variables used in Benders cuts. In particular, the depth of the cuts can be equal to one.     

Foliations by complex curves and the geometry of real surfaces of finite type

We show that if the Levi form of a smooth CR manifold is de-generate in every conormal direction, then on a dense open set, the manifold is foliated by complex curves. As a consequence we show that every real analytic manifold of finite D'Angelo type can be stratified so that each stratum locally is contained in a Levi nondegenerate hypersurface. Received in final form: 11 June 2001 / Published online: 28 February 2002     

Rational incorporation of defects within metal–organic frameworks generates highly active electrocatalytic sites

The allure of metal–organic frameworks (MOFs) in heterogeneous electrocatalysis is that catalytically active sites may be designed a priori with an unparalleled degree of control. An emerging strategy to generate coordinatively-unsaturated active sites is through the use of organic linkers that lack a functional group that would usually bind with the metal nodes. To execute this strategy, we synthesize a model MOF, Ni-MOF-74 and incorporate a fraction of 2-hydroxyterephthalic acid in place of 2,5-dihydroxyterephthalic acid. The defective MOF, Ni-MOF-74D, is evaluated vs. the nominally defect-free Ni-MOF-74 with a host of ex situ and in situ spectroscopic and electroanalytical techniques, using the oxidation of hydroxymethylfurtural (HMF) as a model reaction. The data indicates that Ni-MOF-74D features a set of 4-coordinate Ni–O₄ sites that exhibit unique vibrational signatures, redox potentials, binding motifs to HMF, and consequently superior electrocatalytic activity relative to the original Ni-MOF-74 MOF, being able to convert HMF to the desired 2,5-furandicarboxylic acid at 95% yield and 80% faradaic efficiency. Furthermore, having such rationally well-defined catalytic sites coupled with in situ Raman and infrared spectroelectrochemical measurements enabled the deduction of the reaction mechanism in which co-adsorbed *OH functions as a proton acceptor in the alcohol oxidation step and carries implications for catalyst design for heterogeneous electrosynthetic reactions en route to the electrification of the chemical industry.

The allure of metal–organic frameworks (MOFs) in heterogeneous electrocatalysis is that catalytically active sites may be designed a priori with an unparalleled degree of control.     

Matrices with Heterogeneous Distribution of the Binding Sites for Immobilization of Biomacromolecules

The coupling of photosensitive reagents has been carried out with the goal of obtaining the predetermined distribution of binding sites either for “surface” or “spacial” immobilization of biomacromolecules. The correlation holds between light intensity and the number of readant groups emerged in a matrix.     

Composition of lipids of the grain of opaque-2 maize

It has been established that the change in the composition of the total lipids and the fall in the fatty acid content depend on the initial maize genotype. A decrease in the amount of unsaponifiable substances in the grain of mutants is accompanied by qualitative changes in the composition regardless of the nature of the genotype.Scientific-Research Institute of Biology Dnepropetrovsk State university. Translated from Khimiya Prirodnykh Soedinenii. No. 3. pp. 360–363. May–June, 1988.     

Structural characterisation of tyrosine-nitrated peptides by ultraviolet and infrared matrix-assisted laser desorption/ionisation Fourier transform ion cyclotron resonance mass spectrometry

Nitration of tyrosine residues in proteins may occur in cells upon oxidative stress and inflammation processes mediated through generation of reactive nitroxyl from peroxynitrite. Tyrosine nitration from oxidative pathways may generate cytotoxic species that cause protein dysfunction and pathogenesis. A number of protein nitrations in vivo have been reported and some specific Tyrosine nitration sites have been recently identified using mass spectrometric methods. High-resolution Fourier transform ion cyclotron resonance mass spectrometry (MALDI) FT-ICR-MS) is shown here to be a highly efficient method in the determination of protein nitrations. Following the identification of nitration of the catalytic site Tyr-430 residue of bovine prostacyclin synthase, we synthesised several model peptides containing both unmodified tyrosine and 3-nitro-tyrosine residues, using solid-phase peptide synthesis (SPPS). The structures of the nitrotyrosine peptides were characterised both by ESI- and by matrix-assisted laser desorption/ionisation (MALDI)-FT-ICR-MS, using a standard ultraviolet (UV) nitrogen nitrogen laser and a 2.97 microm Nd-YAG infrared laser. Using UV-MALDI-MS, 3-nitrotyrosyl-peptides were found to undergo extensive photochemical fragmentation at the nitrophenyl group, which may hamper or prevent the unequivocal identification of Tyr-nitrations in cellular proteins. In contrast, infrared-MALDI-FT-ICR-MS did not produce fragmentation of molecular ions of Tyr-nitrated peptides.     

Solid-phase synthesis of N-labeled acylpentamines as reference compounds for the MS/MS investigation of spider toxins

A solid-phase route for synthesis of ¹⁵N-labeled acylpolyamines is described. Utilizing alkylation at benzylic N-atom as a key step, ¹⁵N-atoms are incorporated by stepwise construction of the polyamine framework on the solid support. The derivatives were used as reference compounds for the investigation of the MS/MS behavior of spider toxins.     

Reductive PET-fragmentation-cyclization processes of bicyclo[n.3.0]alkanones: synthesis of angular quasi-triquinane and propellane systems

Bicyclo[3.3.0]octanone and bicyclo[4.3.0]nonanone derivatives with a cyclopropane unit in the α-position and an unsaturated side chain in the γ-position of the carbonyl group undergo fragmentation-cyclization processes leading to quasi-triquinane systems upon reductive photoinduced electron transfer (PET). For example, the new angular triquinane derivative 6 and the new propellane derivative 12 were synthesized in one step from these starting materials in moderate to good yields.     

LiNa2AlF6: a powder structure solution

Lithium sodium aluminium fluoride was obtained as a white powder by melting a stoichiometric mixture of AlF₃, NaF and LiF at 1223 K, and then cooling to 923 K and sintering at this temperature for 4 h. The ab initio crystal structure determination was carried out using X‐ray powder diffraction techniques. The monoclinic structure of LiNa₂AlF₆ can be related to cubic elpasolite. The Li and Al atoms lie on inversion centres. The main octahedral AlF₆ structural elements are not deformed, but are rotated slightly with respect to the unit‐cell axes. The Li atoms have octahedral coordinations, whereas the Na atoms have cubo‐octahedral coordinations. The Na coordination polyhedron is distorted in comparison with that of elpasolite.