A new multi-objective genetic algorithm applied to hot-rolling process

A new genetic algorithms based multi-objective optimization algorithm (NMGA) has been developed during study. It works on a neighborhood concept in the functional space, utilizes the ideas on weak dominance and ranking and uses its own procedures for population sizing. The algorithm was successfully tested with some standard test functions, and when applied to a real-life data of the hot-rolling campaign of an integrated steel plant, it outperformed another recently developed multi-objective evolutionary algorithm.     

Growth of carbon nanotubes from waste blast furnace gases at atmospheric pressure

Carbon emissions from industrial sources are of major global concern, especially contributions from the steel manufacturing process which accounts for the majority of emissions. Typical blast furnace gases consist of CO₂ (20‐25%), CO (20‐25%), H₂ (3‐5%) and N₂ (40‐50%) and trace amounts of other gases. It is demonstrated that gas mixtures with these compositions can be used at atmospheric pressure to grow carbon nanotubes (CNTs) by chemical vapor deposition (CVD) on to steel substrates, which act as catalysts for CNT growth. Computational modelling was used to investigate the CNT growth conditions inside the CVD chamber. The results show that industrial waste pollutant gases can be used to manufacture materials with significant commercial value, in this case CNTs.     

Palladium-catalyzed regioselective synthesis of benzosultams from functionalized ynamides and benzotriazoles/tetrazoles

Palladium-catalyzed highly regioselective synthesis of benzotriazole appended benzosultams by the tandem-cyclization of functionalized ynamides with benzotriazoles has been accomplished. This transformation involves the formation of both CN and CC bonds in a single step. Donor solvents appear to enhance the yields of the products. The methodology is also applicable for the generation of triazole/tetrazole appended benzosultams.     

Synthesis of Stereoisomers of Cryptofolione 6'-Mono- and 4', 6'-Di-O-benzyl Ethers

Synthesis of stereoisomers of 6′‐mono‐ and 4′,6′‐di‐O‐benzyl cryptofolione is described through a key intermediate 6 , which was prepared by coupling of iodobenzene 8 with chiral propargyl alcohol 9 under Cosford protocol conditions. Monobenzyl ether 4 is obtained via epoxide 6 opening with vinyl Grignard, followed by cross‐metathesis reaction with a vinyl lactone 11 . Whereas, dibenzyl ether 5 is prepared by epoxide 6 opening with chiral propargyl alcohol 7 followed by simple transformations and finally cis‐Wittig olefination.     

Total Synthesis of (+)‐Cryptocaryalactone and of a Diastereoisomer of (+)‐Strictifolione via Ring‐Closing Metathesis (RCM) and Olefin Cross‐Metathesis (CM)

Ring‐closing metathesis (RCM) and olefin cross‐metathesis (CM) reactions were used as the key steps for the synthesis of (+)‐cryptocaryalactone ( 1 ) and the first synthesis of the diastereoisomer 3 of (+)‐strictifolione, starting from the commercially available L ‐malic acid (=(2S)‐2‐hydroxybutanedioic acid).     

Microwave synthesis and spectroscopic characterization of manganese oxalate nanocrystals

The microwave synthesis of MnC₂O₄·2H₂O nanoparticles was performed through the thermal double decomposition of oxalic acid dihydrate (C₂H₂O₄·2H₂O) and Mn(OAc)₂·4H2O solutions using a CATA-2R microwave reactor. Structural characterization was performed using X-ray diffraction (XRD), particle size and shape were analyzed using transmission electron microscopy (TEM). The chemical in the structures was investigated using electron paramagnetic resonance (EPR) as well as optical absorption spectra and near-infrared (NIR) spectroscopies. The nanocrystals produced with this method were pure and had a distorted rhombic octahedral structure.     

One‐Pot Synthesis of Hydrophobically Modified Iminosugar C‐Alkynylglycosides: Facile Synthesis of Polyhydroxy Tetrahydroindolizines

A mild and efficient one‐pot method has been developed for the stereoselective synthesis of structurally diverse novel iminosugar C‐alkynylglycosides. The generality of this methodology has been demonstrated with a wide variety of amines and copper acetylides. This one‐pot method has been exploited in the synthesis of new class of DNA cross‐linking agents, polyhydroxy 1‐vinyl‐tetrahydroindolizine derivatives.     

Chemical constituents and in vitro antioxidant activity of Phyllanthus wightianus

The whole plant of Phyllanthus wightianus (PW) was investigated for the antioxidant effects of three successive extracts: hexane (PWHE), chloroform (PWCE) and methanol (PWME), using standard in vitro models. The PWME exhibited a strong scavenging effect on 2,2-diphenyl-2-picryl hydrazyl (DPPH) free radicals and nitric oxide radical inhibition activity, due to possessing the highest content of tannins. The free radical scavenging effect of PWME was comparable with that of reference antioxidants. The extracts were subjected to isolation of their compounds: isomeric sterol mixture (1) [stigmasterol (1a), compesterol (1b) and β-sitosterol (1c)], fredilin (2), lupeol (3), gallic acid (4), bergenin (5), geraniin (6), corilagin (7) and ellagic acid (8) were established through the use of column chromatographic methods and spectral data. The percentage of tannins was also determined and estimated using the HPLC method. The data suggest that tannins are the active antioxidant compounds of P. wightianus. This study provides proof for the ethnomedical claims and reported biological activities of this plant. The plant therefore has very good therapeutic potential.     

Polymer-anchored peroxo compounds of vanadium(V) and molybdenum(VI): synthesis, stability, and their activities with alkaline phosphatase and catalase

We generated a series of new polymer-bound peroxo complexes of vanadium(V) and molybdenum(VI) of the type [VO(O(2))(2)(sulfonate)]-PSS [PSS = poly(sodium 4-styrene sulfonate)] (PV(3)), [V(2)O(2)(O(2))(4)(carboxylate)VO(O(2))(2)(sulfonate)]-PSSM [PSSM = poly(sodium styrene sulfonate-co-maleate)] (PV(4)), [Mo(2)O(2)(O(2))(4)(carboxylate)]-PA [PA = poly(sodium acrylate)] (PMo(1)), [MoO(O(2))(2)(carboxylate)]-PMA [PMA = poly(sodium methacrylate)] (PMo(2)), and [MoO(O(2))(2)(amide)]-PAm [PAm = poly(acrylamide)] (PMo(3)) by reacting V(2)O(5) (for PV(3) and PV(4)) or H(2)MoO(4) (for PMo(1), PMo(2), and PMo(3)) with H(2)O(2) and the respective water-soluble macromolecular ligand at pH 5-6. The compounds were characterized by elemental analysis (CHN and energy-dispersive X-ray spectroscopy), spectral studies (UV-vis, IR, (13)C NMR, (51)V NMR, and (95) Mo NMR), thermal (TGA) as well as scanning electron micrographs (SEM), and EDX analysis. It has been demonstrated that compounds retain their structural integrity in solutions of a wide range of pH values and are approximately 100 times weaker as substrate to the enzyme catalase relative to H(2)O(2), its natural substrate. The effect of the title compounds, along with previously reported compounds [V(2)O(2)(O(2))(4)(carboxylate)]-PA (PV(1)) and [VO(O(2))(2)(carboxylate)]-PMA (PV(2)) on rabbit intestine alkaline phosphatase (ALP) has been investigated and compared with the effect induced by the free diperoxometallates viz. Na[VO(O(2))(2)(H(2)O)] (DPV), [MoO(O(2))(2)(glycine)(H(2)O)] (DMo(1)), and [MoO(O(2))(2)(asparagine)(H(2)O)] (DMo(2)). It has been observed that although all the compounds tested are potent inhibitors of the enzyme, the polymer-bound and neat complexes act via distinct mechanisms. Each of the macromolecular compounds is a classical noncompetitive inhibitor of ALP. In contrast, the action of neat pV and heteroligand pMo compounds on the enzyme function is consistent with a mixed type of inhibition.     

A new three-component reaction: green synthesis of novel isoindolo[2,1-a]quinazoline derivatives as potent inhibitors of TNF-α

Concurrent construction of five and six membered fused N-heretocyclic ring was achieved via a conceptually new three-component reaction affording 6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-diones as novel inhibitors of TNF-αin vitro. This represents one of the few examples of direct TNF-α inhibition by small molecules.