Synthesis, molecular and crystal structure of bis(triethanolamine)manganese(II) saccharinate: a seven-coordinate manganese complex with tri- and tetradentate triethanolamine ligands

The synthesis, molecular and crystal structure of bis(triethanolamine)Mn(II) saccharinate, [Mn(tea)₂](sac)₂ are reported. The configuration of the tea ligands results in an unusual example of coordination number seven for the Mn(II) ion. The two triethanolamine (tea) ligands coordinate to the Mn(II) ion forming a monocapped trigonal prism geometry, in which one of the tea ligands behaves as a tridentate ligand, while the other one acts as a tetradentate donor. The free and coordinated hydroxyl hydrogens of the tea ligands are involved in hydrogen bonding with the amine nitrogen, carbonyl and sulfonyl oxygens of the neighbouring sac ions to form a three-dimensional infinite network. A weak π–π interaction between the phenyl rings of the sac ions also occurs.     

Efficient shift scheduling in the retail sector through two-stage optimization

Efficient workforce scheduling has an important impact on store profit and customer service. Standard scheduling problems do not recognize the effect of staff availability on customer sales, however, even though the latter is an important factor in the retail sector. In this paper a two-stage model is proposed for this purpose. In the first stage a sales response model is used to specify hourly staff requirements. The output of the sales response model is then used as the input of a mixed integer optimization model, which finds an optimum assignment of the staff to daily shifts. Simulations are used to validate the sales response function, and to revise the model for more accurate results. In the simulations, customer arrivals and sales response error values are generated using appropriate distribution functions. As a case study the proposed model is applied to a Turkish retailer in the apparel sector.     

Kinetics of coupling of diazotized sulfanilamid with 1-naphthylamine

In this study, the coupling kinetics of sulfanilamid diazonium salt with 1-naphthylamine has been studied by spectrophotometric method. In the experiments conducted at constant temperature, 25°C, pH has been varied between 2.2?3.4, reactant concentration between 1.25 × 10^?5 ? 5 × 10^?5 M, and ionic strength between 0.1?1 M. The reaction has been confirmed to be of second-order and rate constants and the dissociation constant of 1-naphthylamine have been calculated. © 1993 John Wiley & Sons, Inc.     

Nepetanudone, a dimer of the α-pyrone 5,9-dehydronepetalactone

The title compound C₂₀H₂₄O₄ crystallizes in the orthorhombic space group P2₁2₁2, with a = 10.245(3), b = 17.103(3), c = 9.879(3) Å, D _c = 1.260 g cm ^–3, and Z = 4. Nepetanudone is postulated to be formed by a [4+4] cycloaddition of two 5,9-dehydronepetalactone moieties to give an asymmetric dimer in which each pair of atoms is magnetically nonequivalent. The compound was recovered from extracts of Nepeta nuda ssp. albiflora.     

Tricetin 4′-<Emphasis Type="Italic">O-α</Emphasis>-L-rhamnopyranoside: A new flavonoid from the aerial parts of <Emphasis Type="Italic">Erica arborea</Emphasis>

Reversed-phase preparative HPLC purification of the methanol (MeOH) extract of the aerial parts of Erica arborea resulted in the isolation of a new flavonoid glycoside, tricetin 4′-O-α-L-rhamnopyranoside, together with the known flavonoid, isorhamnetin 3-O-α-L-rhamnopyranoside. The structures of these compounds were determined by spectroscopic means. The antioxidant properties of these compounds were assessed by the DPPH assay. Published in Khimiya Prirodnykh Soedinenii, No. 2, pp. 138–140, March–April, 2008.     

Electrochemical Determination of Copper(II) in Water Samples Using a Novel Ion-Selective Electrode Based on a Graphite Oxide–Imprinted Polymer Composite

A novel copper(II)-selective electrode based on graphite oxide/imprinted polymer composite was developed for the electrochemical monitoring of copper(II) (Cu²⁺) ions. The electrode exhibited highly selective potentiometric response to Cu²⁺ with respect to common alkaline, alkaline earth and heavy metal cations. The composite composition studies indicated that the most suitable composite composition performing the most promising potentiometric properties was 20.0% ionophore (Cu²⁺-ion imprinted polymer), 10.0% paraffin oil, 5.0% multiwalled carbon nanotubes, and 65.0% graphite oxide. The fabricated electrode exhibited a linear response to Cu²⁺ over the concentration range of 1.0?×?10^??6–1.0?×?10^??1?M (correlation coefficient of 0.9998) with a sensitivity of 26.1?±?0.9?mV decade^??1. The detection limit of the fabricated electrode was determined to be 4.0?×?10^??7?M. The electrode worked well in the pH range of 4.0–8.0. The electrode had stable, reversible and fast potentiometric response (3?s). In addition, the electrode had a lifetime of more than 1 year. The analytical applications of the proposed electrode were performed using as an indicator electrode for the potentiometric titration of Cu²⁺ with ethylene diamine tetraacetic acid solution and for the determination of Cu²⁺ of spiked river, dam, and tap water samples. The obtained results for potentiometric titration and water samples were satisfactory.     

A new antibacterial diterpene from the roots of Salvia caespitosa

From the roots of Saliva caespitosa Montbret and Aucher ex. Bentham a new diterpene 6beta-hydroxyisopimaric acid (1) has been isolated together with four known diterpenes, one new triterpenoid, 3-acetylvergatic acid (2), as well as five known triterpenoids, two steroids and a flavone. The structures of the compounds were established by spectroscopic analyses. The isolated compounds were tested against standard bacterial strains. Only the new diterpene, 6beta-hydroxyisopimaric acid has strong activity (MIC 9 microg/ml) against S. aureus and (MIC 18 microg/ml) against S. epidermidis as well as against B. subtilis (MIC 9 microg/ml).     

Win–win match using a genetic algorithm

As the service industries grow, tasks are not directly assigned to the skills but the knowledge of the worker which is to be valued more in finding the best match. The problem becomes difficult mainly because the match has to be seen with the objectives of both sides. Assignment methods fail to respond to a multi-objective, multi-constraint problem with complicated match; whereas, metaheuristics is preferable based on computational simplicity. A conditional genetic algorithm is developed in this study to propose both global and composite match using different fitness functions. This algorithm kills the infeasibilities to achieve the maximum number of matches. The proposed algorithm is applied on an academic problem of multi-alternative candidates and multi-alternative tasks (m × n problem) in two stages. In the first stage, four different fitness functions are evaluated and in the second stage using one of the fitness functions global and composite matching have been compared. The achievements will contribute both to the academic and business world.     

Bis(triethanolamine)cadmium(II) and -­mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands

The structures of the title triethanol­amine (tea) complexes of Cd^II and Hg^II saccharinates, bis­(triethanol­amine)-κ³O,N,O′;κ⁴O,N,O′,O′′-cadmium(II) 1,2-benziso­thia­zol-3(2H)-onate 1,1-dioxide, [Cd(C₆H₁₅NO₃)₂](C₇H₄NO₃S)₂, (I), and bis­(tri­ethanol­amine)-κ³O,N,O′;κ⁴O,N,O′,O′′-mercury(II) 1,2-benz­iso­thia­zol-3(2H)-onate 1,1-dioxide, [Hg(C₆H₁₅NO₃)₂](C₇H₄NO₃S)₂, (II), or [M(tea)₂](sac)₂, where M is Cd^II or Hg^II and sac is the saccharinate anion, reveal seven-coordinate metal ions in both complexes. Both complex cations, [M(tea)₂]²⁺, adopt a monocapped trigonal prism geometry in which the two tea ligands exhibit different coordination modes to achieve seven-coordination. One tea ligand acts as a tetradentate ligand using all its donor atoms, while the other behaves as a tridentate O,N,O′-donor ligand, with one of its ethanol groups remaining uncoordinated. The H atoms of the free and coordinated hydroxyl groups of the tea ligands are involved in hydrogen bonding with the amine N atom, and with the carbonyl and sulfonyl O atoms of neighbouring sac ions, forming an infinite three-dimensional network. A weak π–π interaction between the phenyl rings of the sac ions also occurs.