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Int. J. Mol. Sci., Volume 8, Issue 8 (August 2007), Pages 736-893

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Research

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Open AccessArticle Salting-out in Aqueous Solutions of Ionic Liquids and K3PO4: Aqueous Biphasic Systems and Salt Precipitation
Int. J. Mol. Sci. 2007, 8(8), 736-748; doi:10.3390/i8080736
Received: 18 June 2007 / Revised: 25 July 2007 / Accepted: 27 July 2007 / Published: 31 July 2007
Cited by 55 | PDF Full-text (2913 KB) | HTML Full-text | XML Full-text
Abstract
The salting-out effect produced by the addition of potassium phosphate, K3PO4to aqueous solutions of water-miscible ionic liquids, viz. 1-ethyl-3-methylimidazoliumethyl sulfate, 1-butyl-3-methylimidazolium methyl sulfate, or 1-alkyl-3-methylimidazolium chloride (alkyl = butyl, octyl or decyl) is investigated. The effects areanalyzed using both
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The salting-out effect produced by the addition of potassium phosphate, K3PO4to aqueous solutions of water-miscible ionic liquids, viz. 1-ethyl-3-methylimidazoliumethyl sulfate, 1-butyl-3-methylimidazolium methyl sulfate, or 1-alkyl-3-methylimidazolium chloride (alkyl = butyl, octyl or decyl) is investigated. The effects areanalyzed using both the corresponding temperature–composition pseudo-binary andcomposition ternary phase diagrams. Different regions of liquid-liquid and solid-liquidphase demixing are mapped. The phase behavior is interpreted taking into account thecomplex and competing nature of the interactions between the ionic liquid, the inorganicsalt and water. In the case of solutions containing 1-octyl- or 1-decyl-3-methylimidazoliumchloride, the smaller magnitude of the salting-out effects is explained in terms of thepossibility of self-aggregation of the ionic liquid. Full article
(This article belongs to the Special Issue Ionic Liquids)
Open AccessArticle Hydroformylation of Cyclohexene with Carbon Dioxide and Hydrogen Using Ruthenium Carbonyl Catalyst: Influence of Pressures of Gaseous Components
Int. J. Mol. Sci. 2007, 8(8), 749-759; doi:10.3390/i8080749
Received: 29 May 2007 / Revised: 11 July 2007 / Accepted: 23 July 2007 / Published: 2 August 2007
Cited by 18 | PDF Full-text (292 KB) | HTML Full-text | XML Full-text
Abstract
Hydroformylation of cyclohexene was studied with a catalyst system ofRu3(CO)12 and LiCl using H2 and CO2 instead of CO in NMP. The influence of H2 andCO2 pressures on the total conversion and the product distribution was
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Hydroformylation of cyclohexene was studied with a catalyst system ofRu3(CO)12 and LiCl using H2 and CO2 instead of CO in NMP. The influence of H2 andCO2 pressures on the total conversion and the product distribution was examined. It wasshown that increasing total pressure of H2 and CO2 promoted the reverse water gas shiftreaction and increased the yield of cyclohexanecarboxaldehyde. Its hydrogenation tocyclohexanemethanol was promoted with increasing H2 pressure but suppressed withincreasing CO2 pressure. Cyclohexane was also formed along with those products and thisdirect hydrogenation was suppressed with increasing CO2 pressure. The roles of CO2 as apromoter as well as a reactant were further examined by phase behavior observations andhigh pressure FTIR measurements. Full article
(This article belongs to the Section Green Chemistry)
Open AccessArticle Synthesis and Ab Initio/DFT Studies on 2-(4-methoxyphenyl)benzo[d]thiazole
Int. J. Mol. Sci. 2007, 8(8), 760-776; doi:10.3390/i8080760
Received: 29 June 2007 / Revised: 18 July 2007 / Accepted: 18 July 2007 / Published: 3 August 2007
Cited by 33 | PDF Full-text (423 KB) | HTML Full-text | XML Full-text
Abstract
2-aminothiophenol and 4-methoxybenzaldehyde were cyclized under microwaveirridation and solvent free conditions to synthesize 2-(4-methoxyphenyl)benzo[d]thiazole.The molecular structure and vibrational frequencies of the title compound in the groundstate have been investigated with ab initio (HF) and density functional theory methods(BLYP, B3LYP, B3PW91 and mPW1PW91) implementing
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2-aminothiophenol and 4-methoxybenzaldehyde were cyclized under microwaveirridation and solvent free conditions to synthesize 2-(4-methoxyphenyl)benzo[d]thiazole.The molecular structure and vibrational frequencies of the title compound in the groundstate have been investigated with ab initio (HF) and density functional theory methods(BLYP, B3LYP, B3PW91 and mPW1PW91) implementing the standard 6-311G(d,p) basisset. Comparison of the observed fundamental vibrational frequencies of title compound andcalculated results by HF and DFT methods indicate that B3LYP is superior to the scaledHF approach for molecular problems. Full article
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
Open AccessArticle Protective Effect of Encapsulation in Fermentation of Limonene-contained Media and Orange Peel Hydrolyzate
Int. J. Mol. Sci. 2007, 8(8), 777-787; doi:10.3390/i8080777
Received: 21 June 2007 / Revised: 19 July 2007 / Accepted: 26 July 2007 / Published: 7 August 2007
Cited by 34 | PDF Full-text (177 KB) | HTML Full-text | XML Full-text
Abstract
This work deals with the application of encapsulation technology to eliminateinhibition by D-limonene in fermentation of orange wastes to ethanol. Orange peel wasenzymatically hydrolyzed with cellulase and pectinase. However, fermentation of thereleased sugars in this hydrolyzate by freely suspended S. cerevisiae failed due
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This work deals with the application of encapsulation technology to eliminateinhibition by D-limonene in fermentation of orange wastes to ethanol. Orange peel wasenzymatically hydrolyzed with cellulase and pectinase. However, fermentation of thereleased sugars in this hydrolyzate by freely suspended S. cerevisiae failed due to inhibitionby limonene. On the other hand, encapsulation of S. cerevisiae in alginate membranes wasa powerful tool to overcome the negative effects of limonene. The encapsulated cells wereable to ferment the orange peel hydrolyzate in 7 h, and produce ethanol with a yield of 0.44g/g fermentable sugars. Cultivation of the encapsulated yeast in defined medium wassuccessful, even in the presence of 1.5% (v/v) limonene. The capsules’ membranes wereselectively permeable to the sugars and the other nutrients, but not limonene. While1% (v/v) limonene was present in the culture, its concentration inside the capsules was notmore than 0.054% (v/v). Full article
(This article belongs to the Special Issue Biofuels R&D: Securing the Planet's Future Energy Needs)
Open AccessArticle Consideration of the Factors Influencing the Specific Rates of Solvolysis of p-Methoxyphenyl Chloroformate
Int. J. Mol. Sci. 2007, 8(8), 788-796; doi:10.3390/i8080788
Received: 23 July 2007 / Accepted: 2 August 2007 / Published: 9 August 2007
Cited by 10 | PDF Full-text (129 KB) | HTML Full-text | XML Full-text
Abstract
A recent correlations analysis of the specific rates of solvolysis of p-methoxyphenyl chloroformate (1) in 31 solvents using the three-term Grunwald-Winsteinequation led to a sensitivity (h) towards changes in the aromatic ring parameter (I) of0.85 0.15. This value, suggesting an appreciable contribution from
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A recent correlations analysis of the specific rates of solvolysis of p-methoxyphenyl chloroformate (1) in 31 solvents using the three-term Grunwald-Winsteinequation led to a sensitivity (h) towards changes in the aromatic ring parameter (I) of0.85 0.15. This value, suggesting an appreciable contribution from the hI term, is incontrast to the h value of 0.35 0.19 that was reported for the parent phenyl chloroformate(2). However, for 1, only two specific rate values were available for the importantfluoroalcohol containing solvents. Values are now reported for 13 additional solvents,12 of which have appreciable fluoroalcohol content. With all 44 solvents considered, it isfound that the solvolytic behavior indicated for 1 now parallels very closely that previouslyreported for 2. Full article
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
Open AccessArticle Measurement of Antioxidant Activity of Wine Catechins, Procyanidins, Anthocyanins and Pyranoanthocyanins
Int. J. Mol. Sci. 2007, 8(8), 797-809; doi:10.3390/i8080797
Received: 13 June 2007 / Revised: 7 August 2007 / Accepted: 9 August 2007 / Published: 14 August 2007
Cited by 56 | PDF Full-text (193 KB) | HTML Full-text | XML Full-text
Abstract
Nowadays, there is considerable interest in finding out about antioxidants thatare consumed in the habitual diet. It is known that polyphenols are involved in reducing therisk of diseases associated with oxidative stress. The in vitro antioxidant activity of theprincipal wine polyphenolic compounds (catechins,
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Nowadays, there is considerable interest in finding out about antioxidants thatare consumed in the habitual diet. It is known that polyphenols are involved in reducing therisk of diseases associated with oxidative stress. The in vitro antioxidant activity of theprincipal wine polyphenolic compounds (catechins, procyanidins, anthocyanins andpyranoanthocyanins) was studied in this work. Four distinct methods were used to assessthe antioxidant capacity of the tested compounds: inhibition of peroxynitrite mediatedtyrosine nitration, TEAC (Trolox equivalent antioxidant capacity assay), FRAP (Ferricreducing/antioxidant power assay) and TBARS (thiobarbituric acid reactive substances)methods. In general, it could be concluded that procyanidins were, among the in vitrotested groups, the ones which showed more antioxidant capacity using the four differentmethods, followed by anthocyanins and pyranoanthocyanins. On the basis of the simpleregression testing, there was a statistically significant relationship between these differentmethods used in aqueous phase (r > 0.92). However, no correlation was found between theresults obtained in lipid media with the TBARS method and those obtained in the aqueousmedia (peroxynitrite scavenging activity, TEAC and FRAP methods). Full article
(This article belongs to the Special Issue Phenolics and Polyphenolics)
Open AccessArticle Molecular Mechanics Study of Nickel(II) Octaethylporphyrin Adsorbed on Graphite(0001)
Int. J. Mol. Sci. 2007, 8(8), 810-829; doi:10.3390/i8080810
Received: 25 June 2007 / Revised: 23 July 2007 / Accepted: 2 August 2007 / Published: 21 August 2007
Cited by 7 | PDF Full-text (339 KB) | HTML Full-text | XML Full-text
Abstract
The effects of adsorption on the graphite(0001) surface on the nonplanar dis-tortions of nickel(II)octaethylporphyrin were studied by molecular mechanics (MM) ap-proach. Using the Consistent Force Field (CFF) program with previously developed pa-rameters for metalloporphyrins and supplemented to treat intermolecular interactions ge-ometry optimizations were
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The effects of adsorption on the graphite(0001) surface on the nonplanar dis-tortions of nickel(II)octaethylporphyrin were studied by molecular mechanics (MM) ap-proach. Using the Consistent Force Field (CFF) program with previously developed pa-rameters for metalloporphyrins and supplemented to treat intermolecular interactions ge-ometry optimizations were carried out for 43 conformations of 28 distinct conformers ofnickel(II)octaethylporphyrin. The stable energy-minimized conformers were stereochem-ically characterized, analyzed by the Normal-coordinate Structural Decomposition (NSD)method and compared with the available theoretical and experimental data for the isolatednickel(II)octaethylporphyrin structures. Full article
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
Open AccessArticle Antiplatelet Effect and Selective Binding to Cyclooxygenase (COX) by Molecular Docking Analysis of Flavonoids and Lignans
Int. J. Mol. Sci. 2007, 8(8), 830-841; doi:10.3390/i8080830
Received: 30 July 2007 / Revised: 15 August 2006 / Accepted: 15 August 2007 / Published: 22 August 2007
Cited by 12 | PDF Full-text (404 KB) | HTML Full-text | XML Full-text
Abstract
The known flavonoids ginkgetin (1), taiwanhomoflavone A (2),taiwanhomoflavone B (3), and taiwanhomoflavone C (4) and eight known lignans:justicidin B (9), justicidin C (10), justicidin D (11), chinensinaphthol methyl ether (12),procumphthalide A (13), procumbenoside A (15), and ciliatosides A (16) and B (17) wereisolated
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The known flavonoids ginkgetin (1), taiwanhomoflavone A (2),taiwanhomoflavone B (3), and taiwanhomoflavone C (4) and eight known lignans:justicidin B (9), justicidin C (10), justicidin D (11), chinensinaphthol methyl ether (12),procumphthalide A (13), procumbenoside A (15), and ciliatosides A (16) and B (17) wereisolated from Cephalotaxus wilsoniana and Justicia species, respectively. The antiplateleteffects of the above constituents on human platelet-rich plasma (PRP) were evaluated. Ofthe compounds tested on human PRP, compounds 1, 4, 9, and 11 showed inhibition ofsecondary aggregation induced by adrenaline. Compound 1 had an inhibitory effect oncyclooxygenase-1 (COX-1). Molecular docking studies revealed that 1 and the related compounds apigenin (5), cycloheterophyllin (6), broussoflavone F (7), and quercetin (8) were docked near the gate of active site of COX-1. It indicated that the antiplatelet effect of 1, 4, 9, and 11 is partially owed to suppression of COX-1 activity and reduced thromboxane formation. Flavonoids, 1, 5, 6, 7, and 8 may block the gate of the active site of COX-1 and interfere the conversion of arachidonic acid to prostaglandin (PG) H2 in the COX-1 active site. Full article
Open AccessArticle A Spectral-SAR Model for the Anionic-Cationic Interaction in Ionic Liquids: Application to Vibrio fischeri Ecotoxicity
Int. J. Mol. Sci. 2007, 8(8), 842-863; doi:10.3390/i8080842
Received: 25 July 2007 / Revised: 15 August 2007 / Accepted: 17 August 2007 / Published: 23 August 2007
Cited by 38 | PDF Full-text (335 KB) | HTML Full-text | XML Full-text
Abstract
Within the recently launched the spectral-structure activity relationship (S-SAR)analysis, the vectorial anionic-cationic model of a generic ionic liquid is proposed, alongwith the associated algebraic correlation factor in terms of the measured and predictedactivity norms. The reliability of the present scheme is tested by
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Within the recently launched the spectral-structure activity relationship (S-SAR)analysis, the vectorial anionic-cationic model of a generic ionic liquid is proposed, alongwith the associated algebraic correlation factor in terms of the measured and predictedactivity norms. The reliability of the present scheme is tested by assessing the Hanschfactors, i.e. lipophylicity, polarizability and total energy, to predict the ecotoxicityendpoints of wide types of ionic liquids with ammonium, pyridinium, phosphonium,choline and imidazolium cations on the aquatic bacteria Vibrio fischeri. The results, whileconfirming the cationic dominant influence when only lipophylicity is considered,demonstrate that the anionic effect dominates all other more specific interactions. It wasalso proved that the S-SAR vectorial model predicts considerably higher activity for theionic liquids than for its anionic and cationic subsystems separately, in all consideredcases. Moreover, through applying the least norm-correlation path principle, the completetoxicological hierarchies are presented, unfolding the ecological rules of combined cationicand anionic influences in ionic liquid toxicity. Full article
(This article belongs to the Special Issue Ionic Liquids)
Open AccessArticle Photoresist Derived Carbon for Growth and Differentiation of Neuronal Cells
Int. J. Mol. Sci. 2007, 8(8), 884-893; doi:10.3390/i8080884
Received: 12 June 2007 / Revised: 17 July 2007 / Accepted: 27 July 2007 / Published: 27 August 2007
Cited by 9 | PDF Full-text (1888 KB) | HTML Full-text | XML Full-text
Abstract
Apoptosis or necrosis of neurons in the central nervous system (CNS) is thehallmark of many neurodegenerative diseases and Traumatic Brain Injury (TBI). Theinability to regenerate in CNS offers little hope for naturally repairing the damagedneurons. However, with the rapid development of new technologies,
[...] Read more.
Apoptosis or necrosis of neurons in the central nervous system (CNS) is thehallmark of many neurodegenerative diseases and Traumatic Brain Injury (TBI). Theinability to regenerate in CNS offers little hope for naturally repairing the damagedneurons. However, with the rapid development of new technologies, regenerative medicineoffers great promises to patients with these disorders. Among many events for furtheradvancement of regenerative medicine, extracellular matrix (ECM) plays a critical role forcellular migration and differentiation. To develop a biocompatible and electricallyconductive substrate that can be potentially used to promote growth and regeneration ofneurons and to record intracellular and multisite signals from brain as a probe, a polymericprecursor – SPR 220.7 was fabricated by pyrolysis at temperatures higher than 700 oC.Human Neuroblastoma cells - SK-N-MC, SY5Y, mouse teratocarcinoma cells P-19 and ratPC12 cells were found to attach and proliferate on photoresist derived carbon film.Significantly, neuronal differentiation of PC12 cells induced by NGF was demonstrated byobserving cell shape and size, and measuring the length of neurites under SEM. Our resultsindicated that fabricated carbon could potentially be explored in regenerative medicine forpromoting neuronal growth and differentiation in CNS with neurodegeneration. Full article
(This article belongs to the Special Issue Interaction of Biological Molecules)

Review

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Open AccessReview Developments in Molecular Recognition and Sensing at Interfaces
Int. J. Mol. Sci. 2007, 8(8), 864-883; doi:10.3390/i8080864
Received: 6 August 2007 / Accepted: 20 August 2007 / Published: 22 August 2007
Cited by 28 | PDF Full-text (3403 KB) | HTML Full-text | XML Full-text
Abstract
In biological systems, molecular recognition events occur mostly withininterfacial environments such as at membrane surfaces, enzyme reaction sites, or at theinterior of the DNA double helix. Investigation of molecular recognition at model interfacesprovides great insights into biological phenomena. Molecular recognition at interfaces notonly
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In biological systems, molecular recognition events occur mostly withininterfacial environments such as at membrane surfaces, enzyme reaction sites, or at theinterior of the DNA double helix. Investigation of molecular recognition at model interfacesprovides great insights into biological phenomena. Molecular recognition at interfaces notonly has relevance to biological systems but is also important for modern applications suchas high sensitivity sensors. Selective binding of guest molecules in solution to hostmolecules located at solid surfaces is crucial for electronic or photonic detection of analytesubstances. In response to these demands, molecular recognition at interfaces has beeninvestigated extensively during the past two decades using Langmuir monolayers, self-assembled monolayers, and lipid assemblies as recognition media. In this review, advancesof molecular recognition at interfaces are briefly summarized. Full article
(This article belongs to the Section Molecular Recognition)

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