New quantum groups by double-bosonisation

We obtain new family of quasitriangular Hopf algebras via the author's recent double-bosonisation construction for new quantum groups. They are versions of U _q(su _n+1) with a fermionic rather than bosonic quantum plane of roots adjoined to U _q(su _n). We give the n = 2 case in detail. We also consider the anyonic-double of an anyonic ( ) braided group and the double-bosonisation of the free braided group in n variables.     

Joint Reliability Function of Coherent Systems with Shared Heterogeneous Components

In this paper, we consider two coherent systems having shared components. We assume that in the two systems there are three different types of components; components of type one that just belong to the first system, components of type two that lie only in the second system and components of type three that are shared by the two systems. We use the concept of joint survival signature to assess the joint reliability function of the two systems. Using this concept, some representations for the joint reliability function of the system lifetimes are obtained under two different scenarios of component failures. In the first scenario, we assume that the components of the systems fail according to different counting processes such as non-homogeneous Poisson processes. In the second scenario, it is assumed that the component lifetimes of each type are exchangeable while the three types of component lifetimes can be independent or dependent. To illustrate the theoretical results, two systems with shared components are studied numerically and graphically.

     

Developing a new chance constrained NDEA model to measure performance of sustainable supply chains

Annals of Operations Research - Owing to the increasing importance of sustainable supply chain management (SSCM), it has received much attention from both corporate and academic over the past...     

Analysis of toxic trace elements in sea food samples by neutron activation

The aim of this study is to investigate the contents of toxic and essential trace element such as As, Hg, Se and Zn by neutron activation analysis in coastal fishes consumed by the general population of Malaysia. The mean values of the elements analysed expressed in mg/kg fresh weight ranged 1.42–5.61, 0.06–0.42, 4.2–20.6, 0.41–1.28 for As, Hg, Zn and Se, respectively. The maximum permissible limit for As in food was set at 1.0 mg/kg under the Malaysian Food Regulations. Our results showed that consumption of coastal fishes is not permitted under the regulations, while the levels of Hg, Se and Zn were within the permissible limits. The daily dietary intake of As and Hg at 400 g and 30g respectively are still within the tolerance levels.     

A stereodivergent,two-directional synthesis of stereoisomeric C-linked disaccharide mimetics

Dipyranones, such as 1,2-bis[(2R,3S,6S)-3-hydroxy-6-methoxy-3-oxo-6H-pyran-2-yl]ethane, were exploited as templates for the synthesis of some novel C-linked disaccharide analogues. Efficient methods, such as stereoselective reduction and dihydroxylation, were developed for two-directional functionalisation of these templates. Peracetylated derivatives of ten stereoisomeric disaccharide analogues [acetic acid 4,5-diacetoxy-6-methoxy-[(3',4',5'-triacetoxy-6'-methoxytetrahydropyran- 2'-yl)ethyl]tetrahydropyran-3-yl esters] were synthesised from a virtual library of 136 compounds; furthermore, an additional eight stereoisomers could have been synthesised simply by using the enantiomeric ligand in the enantioselective step. The ability of (2S,3S,4R,5R,6R)-6-methoxy-2-[2'-((2'R,3'R,4'S, 5'R,6'S)-3',4',5'-trihydroxy-6'-methoxytetrahydropyran-2'-yl) ethyl]tetrahydropyran-3,4,5-triol to bind to the repressor protein, LacI, was estimated to be similar to that of isopropyl-beta-thiogalactoside. The disaccharide mimetics were concluded to be a new and interesting class of C-linked disaccharide mimetics with promising, though largely unstudied, biological activity.     

Synthesis of dimethyl 1,2-dihydroisoquinolines through the reaction of isoquinoline and dimethyl acetylenedicarboxylate in the presence of amides

Isoquinoline reacts smoothly with dimethyl acetylenedicarboxylate (DMAD) in the presence of amides to produce dimethyl 2-[1-[aryl(alkyl)carbonylamino]-2(1H)-isoquinolinyl]-2-butenedioates. Reaction of quinoline with DMAD in the presence of benzamide led to dimethyl 2-[1-[(phenylcarbonyl)amino]-2(1H)-quinolinyl]-2-butenedioate.     

Isolation and structure elucidation of three glycosides and a long chain alcohol from Polianthes tuberosa Linn

Three glycosides and a long chain alcohol were isolated from the bulbs of Polianthes tuberosa, these were identified as 3,29-dihydroxystigmast-5-ene-3-O-beta-D-galactopyranoside (1), ethyl beta-D-galactopyranoside (2), ethyl-alpha-D-galactopyranoside (3), and 1-tricosanol (4). The structures were determined by extensive spectroscopic and chemical methods. All four isolated compounds were screened for their cytotoxicity, antibacterial and antifungal activities, none of the compounds showed any significant activity.     

Complexes of adamantane‐based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting

The electronic structure and chemical bonding in donor–acceptor complexes formed by group 13 element adamantane and perfluorinated adamantane derivatives EC₉R′₁₅ (E = B, Al; R′ = H, F) with Lewis bases XR₃ and XC₉H₁₅ (X = N, P; R= H, CH₃) have been studied using energy decomposition analysis at the BP86/TZ2P level of theory. Larger stability of complexes with perfluorinated adamantane derivatives is mainly due to better electrostatic and orbital interactions. Deformation energies of the fragments and Pauli repulsion are of less importance, with exception for the boron‐phosphorus complexes. The MO analysis reveals that LUMO energies of EC₉R′₁₅ significantly decrease upon fluorination (by 4.7 and 3.6 eV for E = B and Al, respectively) which results in an increase of orbital interaction energies by 27–38 (B) and 15–26 (Al) kcal mol^?1. HOMO energies of XR₃ increase in order PH₃ < NH₃ < PMe₃ < PC₉H₁₅ < NMe₃ < NC₉H₁₅. For the studied complexes, there is a linear correlation between the dissociation energy of the complex and the energy difference between HOMO of the donor and LUMO of the acceptor. The fluorination of the Lewis acid significantly reduces standard enthalpies of the heterolytic hydrogen splitting H₂ + D + A = [HD]⁺ + [HA]^?. Analysis of several types of the [HD]⁺···[HA]^? ion pair formation in the gas phase reveals that structures with additional H···F interactions are energetically favorable. Taking into account the ion pair formation, hydrogen splitting is predicted to be highly exothermic in case of the perfluorinated derivatives both in the gas phase and in solution. Thus, fluorinated adamantane‐based Lewis superacids are attractive synthetic targets for the construction of the donor–acceptor cryptands. © 2016 Wiley Periodicals, Inc.     

Hydroarylation of cinnamic acid with phenols catalyzed by acidic ionic liquid [H-NMP]HSO<Subscript>4</Subscript>: computational assessment on substituent effect

Hydroarylation of cinnamic acid with different substituted phenols, in the presence of acidic ionic liquid, N-methyl-2-pyrrolidonum hydrosulfate ([H-NMP]HSO₄) gave the corresponding dihydrocoumarins in high yields and excellent selectivity. Among these substituted phenols, while methyl phenol afforded the corresponding dihydrocoumarin, nitrophenol under the same reaction conditions diverted the course of reaction, affording 3-(4-nitrophenyl)-3-phenylpropanoic acids. We investigated this behavior from the energetic and electronic points of view, using quantum chemistry computational methods. In this respect, the electronic energy change values for the conversion reaction of substituted phenyl cinnamate esters to dihydrocoumarin compounds have been obtained via density functional theory calculations. We demonstrated that the conversion reaction in the presence of CH₃ substituent is more favorable energetically than NO₂ substituent. Moreover, we have concentrated on topological analysis of electron density on some key bond and ring critical points and their associated bond paths to assess the conversion of substituted phenyl cinnamate esters to dihydrocoumarins. Our calculated results showed that para-methyl phenyl cinnamate has more of electronic tendency to undergo the intramolecular cyclization step and, consequently, generate the corresponding dihydrocoumarin.     

New Carbonic Anhydrase-II Inhibitors from Marine Macro Brown Alga Dictyopteris hoytii Supported by In Silico Studies

In continuation of phytochemical investigations of the methanolic extract of Dictyopteris hoytii, we have obtained twelve compounds (1–12) through column chromatography. Herein, three compounds, namely, dimethyl 2-bromoterepthalate (3), dimethyl 2,6-dibromoterepthalate (4), and (E)-3-(4-(dimethoxymethyl)phenyl) acrylic acid (5) are isolated for the first time as a natural product, while the rest of the compounds (1, 2, 6–12) are known and isolated for the first time from this source. The structures of the isolated compounds were elucidated by advanced spectroscopic 1D and 2D NMR techniques including ¹H, ¹³C, DEPT, HSQC, HMBC, COSY, NEOSY, and HR-MS and comparison with the reported literature. Furthermore, eight compounds (13–20) previously isolated by our group from the same source along with the currently isolated compounds (1–12) were screened against the CA-II enzyme. All compounds, except 6, 8, 14, and 17, were evaluated for in vitro bovine carbonic anhydrase-II (CA-II) inhibitory activity. Eventually, eleven compounds (1, 4, 5, 7, 9, 10, 12, 13, 15, 18, and 19) exhibited significant inhibitory activity against CA-II with IC₅₀ values ranging from 13.4 to 71.6 μM. Additionally, the active molecules were subjected to molecular docking studies to predict the binding behavior of those compounds. It was observed that the compounds exhibit the inhibitory potential by specifically interacting with the ZN ion present in the active site of CA-II. In addition to ZN ion, two residues (His94 and Thr199) play an important role in binding with the compounds that possess a carboxylate group in their structure.