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    790 results match your criteria Chemistry Central Journal [Journal]

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    Extraction, purification, characterization and antioxidant activities of polysaccharides from Ramaria botrytis (Pers.) Ricken.
    Chem Cent J 2017 16;11:24. Epub 2017 Mar 16.
    College of Food Science and Technology, Henan University of Technology, Zhengzhou, 450001 China.
    Background: Ramaria botrytis (Pers.) Ricken, a member of the family Clavariaceae, has been widely prescribed for anti-aging and improving immunity. To extract and purify the polysaccharides, the main constituent of the fruiting-body, from R. Read More

    Synthesis and in vitro antitumor activity of (1E,4E)-1-aryl-5-(2-((quinazolin-4-yl)oxy)phenyl)-1,4-pentadien-3-one derivatives.
    Chem Cent J 2017 15;11:23. Epub 2017 Mar 15.
    Guizhou Fruit Institute, Guizhou Academy of Agricultural Sciences, Guiyang, 550006 P. R. China.
    Background: Cancer is one of the leading causes of death and only second to heart diseases. Recently, preclinical studies have demonstrated that curcumin had a number of anticancer properties. Thus, we planned to synthesize a series of curcumin analogs to assess their antiproliferation efficacy. Read More

    Citric acid: emerging applications of key biotechnology industrial product.
    Chem Cent J 2017 8;11:22. Epub 2017 Mar 8.
    Istituto per lo Studio dei Materiali Nanostrutturati, CNR, via Ugo La Malfa 153, 90146 Palermo, PA Italy.
    Owing to new biotechnological production units mostly located in China, global supply of citric acid in the course of the last two decades rose from less than 0.5 to more than 2 million tonnes becoming the single largest chemical obtained via biomass fermentation and the most widely employed organic acid. Critically reviewing selected research achievements and production trends, we identify the reasons for which this polycarboxylic acid will become a key chemical in the emerging bioeconomy. Read More

    Multicomponent synthesis of 4-arylidene-2-phenyl-5(4H)-oxazolones (azlactones) using a mechanochemical approach.
    Chem Cent J 2016 6;10:59. Epub 2016 Oct 6.
    Department of Chemistry, Faculty of Science, Ain Shams University, 11566 Abbasia, Cairo, Egypt.
    Background: Mechano heterocyclic chemistry (MCH) is a recent quickly growing technique in the synthesis of heterocycles and draws the attention of heterocyclic chemists towards the uses of grindstone technique in a solvent free green efficient synthesis of many heterocyclic systems. On the other hand, multicomponent approach has opened the door for the rapid and efficient one-step procedures to synthesize a wide range of complex targets. Azlactones have been reported to exhibit a wide range of pharmaceutical properties including immune suppressive, anticancer. Read More

    Two new pterocarpans and a new pyrone derivative with cytotoxic activities from Ptycholobium contortum (N.E.Br.) Brummitt (Leguminosae): revised NMR assignment of mundulea lactone.
    Chem Cent J 2016 5;10:58. Epub 2016 Oct 5.
    Department of Biological Sciences, Faculty of Science, University of Botswana, Block 235, Private Bag, 0022 Gaborone, Botswana.
    Background: Ptycholobium is a genus related to Tephrosia which comprises only three species. Compared to Tephrosia, which has been phytochemically and pharmacologically studied, Ptycholobium species have only few or no reports on their chemical constituents. Moreover, no studies on the cytotoxic activities of its secondary metabolites have been previously documented. Read More

    Erratum to: New spectrofluorimetric methods for determination of melatonin in the presence of N-{2-[1-({3-[2-(acetylamino)ethyl]-5-methoxy-1H-indol-2-yl}methyl)-5-methoxy-1H-indol-3-yl]-ethyl}acetamide: a contaminant in commercial melatonin preparations.
    Chem Cent J 2016 28;10:57. Epub 2016 Sep 28.
    Department of Pharmaceutical Chemistry, Institute of Pharmacy and Food Chemistry, Würzburg University, Am Hubland, 97074 Würzburg, Germany ; Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biotechnology, The German University in Cairo, New Cairo City, Egypt.
    [This corrects the article DOI: 10.1186/1752-153X-6-36.]. Read More

    Modeling and optimization of nanoemulsion containing Sorafenib for cancer treatment by response surface methodology.
    Chem Cent J 2017 2;11:21. Epub 2017 Mar 2.
    Malaysia-Japan International Institute of Technology, Universiti Teknologi Malaysia, Jalan Sultan Yahya Petra (JalanSemarak), 54100 Kuala Lumpur, Malaysia.
    The aim of this study is the development of nanoemulsions for intravenous administration of Sorafenib, which is a poorly soluble drug with no parenteral treatment. The formulation was prepared by a high energy emulsification method and optimized by response surface methodology. The effects of overhead stirring time, high shear rate, high shear time, and cycles of high-pressure homogenizer were studied in the preparation of nanoemulsion loaded with Sorafenib. Read More

    Synthesis and protective effect of new ligustrazine-vanillic acid derivatives against CoCl2-induced neurotoxicity in differentiated PC12 cells.
    Chem Cent J 2017 28;11:20. Epub 2017 Feb 28.
    School of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, 100102 China.
    Ligustrazine-vanillic acid derivatives had been reported to exhibit promising neuroprotective activities. In our continuous effort to develop new ligustrazine derivatives with neuroprotective effects, we attempted the synthesis of several ligustrazine-vanillic acid amide derivatives and screened their protective effect on the injured PC12 cells damaged by CoCl2. The results showed that most of the newly synthesized derivatives exhibited higher activity than ligustrazine, of which, compound VA-06 displayed the highest potency with EC50 values of 17. Read More

    Identification of the aroma compounds in Vitex doniana sweet: free and bound odorants.
    Chem Cent J 2017 23;11:19. Epub 2017 Feb 23.
    Department of Food Technology, University Putra Malaysia, 43400 Serdang, Malaysia.
    Background: Most often, the glycosidically-bound aroma compounds are released during industrial processing or pre-treatment of fruits. This usually introduces modification to the aroma notes of such fruits. Therefore, there is the need to understand the contribution of these bound aroma compounds to the overall aroma of a given fruit. Read More

    A brief review of recent developments in the designs that prevent bio-fouling on silicon and silicon-based materials.
    Chem Cent J 2017 20;11:18. Epub 2017 Feb 20.
    Key Laboratory of Mariculture and Enhancement of Zhejiang Province, Marine Fishery Institute of Zhejiang Province, Zhoushan, 316021 China.
    Silicon and silicon-based materials are essential to our daily life. They are widely used in healthcare and manufacturing. However, silicon and silicon-based materials are susceptible to bio-fouling, which is of great concern in numerous applications. Read More

    Purification, characterization and procoagulant activity of polysaccharides from Angelica dahurice roots.
    Chem Cent J 2017 10;11:17. Epub 2017 Feb 10.
    Institute of Chinese Materia Medica, Henan University, Kaifeng, 475004 China.
    Five polysaccharides, namely ADPs-1a, ADPs-1b, ADPs-2, ADPs-3a and ADPs-3b, were extracted from Angelicae dahuricae Radix, purified, and identified by high performance gel permeation chromatography (HPSEC), gas chromatography (GC), Fourier transform infrared (FT-IR) spectrometer and nuclear magnetic resonance spectra (NMR), including the determination of procoagulant activity in vitro. The average molecular weight (Mw) of the polysaccharides was 153,800, 8312, 111,700, 3766 and 96,680 g/mol, respectively. Coagulation assays indicated that ADPs-1b, ADPs-2, ADPs-3a and ADPs-3b had procoagulant activities. Read More

    Design, synthesis and biological potentials of novel tetrahydroimidazo[1,2-a]pyrimidine derivatives.
    Chem Cent J 2017 9;11:16. Epub 2017 Feb 9.
    Department of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, Haryana 124001 India.
    Background: A novel series of 5-(substituted aldehyde)-7-methyl-3-oxo-N-phenyl-2-((3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)methylene)-1,2,3,5-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxamide analogues (1-24) was synthesized using the Biginelli condensation.

    Results And Discussion: The synthesized compounds were screened for their in vitro antimicrobial potential against Gram (positive and negative) bacterial and fungal strains by tube dilution technique. In the series, compound 15 exhibited significant antimicrobial activity against Candida albicans and Aspergillus niger with MIC value = 1. Read More

    2-Benzyl-benzofurans from the tubers of Ophiopogon japonicus.
    Chem Cent J 2017 6;11:15. Epub 2017 Feb 6.
    Institute of Marine Biochemistry, Vietnam Academy of Science and Technology (VAST), 18-Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam.
    Background: The overproduction of nitric oxide (NO) is known to involve in various inflammatory processes. A methanol extract of the tubers of Ophiopogon japonicus was found to strongly inhibit NO production. The present paper deals with the isolation, structural identification and NO inhibitory effect of five compounds isolated from the MeOH extract of O. Read More

    The effect of carbamic acid, (1,2,3-thiadiazole-4-ylcarbonyl)-hexyl ester on Peronophythora litchii infection, quality and physiology of postharvest litchi fruits.
    Chem Cent J 2017 6;11:14. Epub 2017 Feb 6.
    School of Life Science and Technology, Zhanjiang Normal University, Zhanjiang, 524048 People's Republic of China.
    Background: Litchi (Litchi chinensis Sonn.) is a subtropical fruit with attractive characteristic of white to creamy semitranslucent flesh and red color in pericap, but it was easily subjected to the infection of Peronophythora litchii and lost its market values. Experiments were conducted to understand the effect of [Carbamic acid, (1,2,3-thiadiazole-4-ylcarbonyl)-hexyl ester, CTE] on the growth of P. Read More

    Characterization of major metabolites of polymethoxylated flavonoids in Pericarpium Citri Reticulatae using liver microsomes immobilized on magnetic nanoparticles coupled with UPLC/MS-MS.
    Chem Cent J 2017 6;11:13. Epub 2017 Feb 6.
    Chengdu Institute of Biology, Chinese Academy of Sciences, Chengdu, 610041 Sichuan China.
    The peels of citrus fruits (Pericarpium Citri Reticulatae, PCR) have long been used in traditional Chinese medicines (TCMs). Polymethoxylated flavonoids (PMFs) were found to be the main components present in PCR extracts, but their metabolism remains unclear which restrain the utilization of this TCM. In the present work, rat liver microsomes were immobilized on magnetic nanoparticles (LMMNPs) for in vitro metabolic study on the whole PMFs of PCR. Read More

    Synthesis and biological evaluation of the new 1,3-dimethylxanthine derivatives with thiazolidine-4-one scaffold.
    Chem Cent J 2017 1;11:12. Epub 2017 Feb 1.
    The Department of Pharmaceutical Chemistry, The Faculty of Pharmacy, "Grigore T. Popa" University of Medicine and Pharmacy, No. 16 University Street, Iasi, 700115 Romania.
    Background: The xanthine structure has proved to be an important scaffold in the process of developing a wide variety of biologically active molecules such as bronchodilator, hypoglycemiant, anticancer and anti-inflammatory agents. It is known that hyperglycemia generates reactive oxygen species which are involved in the progression of diabetes mellitus and its complications. Therefore, the development of new compounds with antioxidant activity could be an important therapeutic strategy against this metabolic syndrome. Read More

    Cheminformatics studies to analyze the therapeutic potential of phytochemicals from Rhazya stricta.
    Chem Cent J 2017 30;11:11. Epub 2017 Jan 30.
    Biotechnology Research Group, Department of Biological Sciences, Faculty of Science, King Abdulaziz University, Jeddah, 21589 Saudi Arabia.
    Rhazya stricta is a unique medicinal plant source for many indole alkaloids, non-alkaloids, flavonoids, triterpenes and other unknown molecules with tremendous potential for therapeutic applications against many diseases. In the present article, we generated computational data on predictive properties and activity across two key therapeutic areas of cancer and obesity, and corresponding cheminformatics studies were carried out to examine druggable properties of these alkaloids. Computed physiochemical properties of the 78 indole alkaloids from R. Read More

    Thermal degradation of aqueous 2-aminoethylethanolamine in CO2 capture; identification of degradation products, reaction mechanisms and computational studies.
    Chem Cent J 2017 24;11:10. Epub 2017 Jan 24.
    Department of Chemical Engineering, Faculty of Engineering, University of Malaya, 50603 Kuala Lumpur, Malaysia.
    Amine degradation is the main significant problems in amine-based post-combustion CO2 capture, causes foaming, increase in viscosity, corrosion, fouling as well as environmental issues. Therefore it is very important to develop the most efficient solvent with high thermal and chemical stability. This study investigated thermal degradation of aqueous 30% 2-aminoethylethanolamine (AEEA) using 316 stainless steel cylinders in the presence and absence of CO2 for 4 weeks. Read More

    Green solvents and technologies for oil extraction from oilseeds.
    Chem Cent J 2017 23;11. Epub 2017 Jan 23.
    ICAR-Indian Institute of Seed Science, Maunath Bhanjan, Uttar Pradesh 721302 India.
    Oilseeds are crucial for the nutritional security of the global population. The conventional technology used for oil extraction from oilseeds is by solvent extraction. In solvent extraction, n-hexane is used as a solvent for its attributes such as simple recovery, non-polar nature, low latent heat of vaporization (330 kJ/kg) and high selectivity to solvents. Read More

    A conceptual DFT study of the molecular properties of glycating carbonyl compounds.
    Chem Cent J 2017 23;11. Epub 2017 Jan 23.
    Departament de Química, Universitat de les Illes Balears, Carretera de Valldemossa, Km 7.5, 07010 Palma, Spain.
    Several glycating carbonyl compounds have been studied by resorting to the latest Minnesota family of density functional with the objective of determinating their molecular properties. In particular, the chemical reactivity descriptors that arise from conceptual density functional theory and chemical reactivity theory have been calculated through a [Formula: see text]SCF protocol. The validity of the KID (Koopmans' in DFT) procedure has been checked by comparing the reactivity descriptors obtained from the values of the HOMO and LUMO with those calculated through vertical energy values. Read More

    Enhanced antibacterial activity of TiO2 nanoparticle surface modified with Garcinia zeylanica extract.
    Chem Cent J 2017 12;11. Epub 2017 Jan 12.
    Department of Chemistry, University of Sri Jayewardenepura, Colombo, Sri Lanka.
    Background: The antibacterial activity of 21 nm TiO2 nanoparticles (NPs) and particles modified with Garcinia zeylanica (G. zeylanica) against Methicillin resistant Staphylococcus aureus was investigated in the presence and absence of light.

    Results: Surface modification of TiO2 NPs with the adsorption of G. Read More

    Optimization of microwave-assisted extraction of zerumbone from Zingiber zerumbet L. rhizome and evaluation of antiproliferative activity of optimized extracts.
    Chem Cent J 2017 5;11. Epub 2017 Jan 5.
    Department of Crop Science, Faculty of Agriculture, Universiti Putra Malaysia, 43400 Serdang, Selangor Malaysia.
    Background: The extraction of bioactive compounds from herbal materials requires optimization in order to recover the highest active dose. Response surface methodology was used to optimize variables affecting the microwave extraction of zerumbone from Zingiber zerumbet using the Box-Behnken design. The influence of variables, such as ethanol concentration (X1), microwave power (X2), irradiation time (X3), and liquid-to-solid ratio (X4), on the extraction of zerumbone was modeled using a second-order regression equation. Read More

    Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one: an anticancer agent.
    Chem Cent J 2017 10;11. Epub 2017 Jan 10.
    CAS in Crystallography & Biophysics, University of Madras, Guindy Campus, Chennai, 600025 India.
    Background: Coumarin (2H-chromen-2-one) and its derivatives have a wide range of biological and pharmaceutical activities. They possess antitumor, anti-HIV, anticoagulant, antimicrobial, antioxidant, and anti-inflammatory activities. Synthesis and isolation of coumarins from different species have attracted the attention of medicinal chemists. Read More

    Using flow technologies to direct the synthesis and assembly of materials in solution.
    Chem Cent J 2017 5;11. Epub 2017 Jan 5.
    Department of Chemistry, University of Bath, Bath, BA2 7AY UK.
    In the pursuit of materials with structure-related function, directing the assembly of materials is paramount. The resultant structure can be controlled by ordering of reactants, spatial confinement and control over the reaction/crystallisation times and stoichiometries. These conditions can be administered through the use of flow technologies as evidenced by the growing widespread application of microfluidics for the production of nanomaterials; the function of which is often dictated or circumscribed by size. Read More

    Silica-titania xerogel doped with Mo,P-heteropoly compounds for solid phase spectrophotometric determination of ascorbic acid in fruit juices, pharmaceuticals, and synthetic urine.
    Chem Cent J 2017 3;11. Epub 2017 Jan 3.
    Analytical Chemistry Division, Chemistry Department, Lomonosov Moscow State University, Moscow, Russia.
    Background: Ascorbic acid is one of the most important vitamins to monitor in dietary sources (juices and vitamins) and biological liquids.

    Results: Silica and silica-titania xerogels doped with Mo,P-heteropoly compounds (HPC) have been synthesized varying titanium(IV) and HPC content in sol. Their surface area and porosity have been studied with nitrogen adsorption and scanning electron microscopy, their elemental composition has been studied with energy-dispersive X-ray analysis. Read More

    A traditional poly herbal medicine "Le Pana Guliya" induces apoptosis in HepG2 and HeLa cells but not in CC1 cells: an in vitro assessment.
    Chem Cent J 2017 3;11. Epub 2017 Jan 3.
    No: 9, Moragahapitiya, Balagola, Kengalle, Kandy, Sri Lanka.
    "Le Pana Guliya" (LPG) is a polyherbal formulation which is used to treat different types of cancers in traditional medicine. In this study we describe in vitro efficacy and mechanism of action of LPG on two cancer cell lines (HepG2 and HeLa) compared with a normal cell line CC1. The MTT, LDH assays and protein synthesis were used to study antiproliferative activity of LPG while NO synthesis and GSH content were assayed to determine the oxidative stress exerted by LPG. Read More

    Simultaneous determination of newly developed antiviral agents in pharmaceutical formulations by HPLC-DAD.
    Chem Cent J 2017 3;11. Epub 2017 Jan 3.
    College of Pharmacy, Department of Pharmaceutical Chemistry, King Saud University, P.O. Box 22452, Riyadh, 11495 Saudi Arabia.
    Background: Ombitasvir/paritaprevir/ritonavir/dasabuvir (Viekira Pak(®)) are the newest medicines approved for use in the treatment of hepatitis C virus (HCV) and are available in tablet form as an oral combination. Specifically, these agents are indicated in the treatment of HCV in patients with genotype 1 infection. Due to the therapeutic importance and increased use of Viekira Pak, proper methods for its determination in bulk and pharmaceutical formulations must be developed. Read More

    In vitro drug release characteristic and cytotoxic activity of silibinin-loaded single walled carbon nanotubes functionalized with biocompatible polymers.
    Chem Cent J 2016 12;10:81. Epub 2016 Dec 12.
    Materials Synthesis and Characterization Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, 43400 Serdang, Selangor Malaysia.
    In this paper, we demonstrate the preparation of silibinin-loaded carbon nanotubes (SWSB) with surface coating agents via non-covalent approach as an effective drug delivery system. The resulting surface-coated SWSB nanocomposites are extensively characterized by Fourier transform infrared (FTIR) and Raman spectroscopies, ultraviolet-visible (UV-Vis) spectrometry and field emission scanning electron microscopy (FESEM). The FTIR and Raman studies show that an additional layer is formed by these coating agents in the prepared nanocomposites during the coating treatment and these results are confirmed by FESEM. Read More

    HPLC estimation of iothalamate to measure glomerular filtration rate in humans.
    Chem Cent J 2016 12;10:80. Epub 2016 Dec 12.
    Department of Chemistry, College of Science, United Arab Emirates University, Al Ain, UAE.
    Glomerular filtration rate (GFR) is usually determined by estimation of iothalamate (IOT) clearance. We have developed and validated an accurate and robust method for the analysis of IOT in human plasma and urine. The mobile phase consisted of methanol and 50 mM sodium phosphate (10:90; v/v). Read More

    Colon targeted drug delivery of branch-chained disulphide cross-linked polymers: design, synthesis, and characterisation studies.
    Chem Cent J 2016 29;10:77. Epub 2016 Nov 29.
    Integrative Medicine Cluster, Advanced Medical and Dental Institute, Universiti Sains Malaysia, Bertam, 13200 Kepala Batas, Penang Malaysia.
    Drug delivery directly to the colon is a very useful approach for treating localised colonic diseases such as inflammatory bowel disease, ulcerative colitis, and Crohn's disease. The use of disulphide cross-linked polymers in colon targeted drug delivery systems has received much attention because these polymers are redox sensitive, and the disulphide bonds are only cleaved by the low redox potential environment in the colon. The goal of this study was to synthesise tricarballylic acid-based trithiol monomers for polymerisation into branch-chained disulphide polymers. Read More

    Analysis of tilianin and acacetin in Agastache rugosa by high-performance liquid chromatography with ionic liquids-ultrasound based extraction.
    Chem Cent J 2016 29;10:76. Epub 2016 Nov 29.
    Institute of Chinese Materia Medica, Henan University, Kaifeng, 475004 China ; Kaifeng Key Laboratory of Functional Components in Health Food, Kaifeng, 475004 China.
    Ionic liquid 1-butyl-3-methylimidazolium bromide-methanol-based ultrasonic-assisted extraction (ILUAE) was used to extract tilianin and acacetin from the aerial parts of Agastache rugose (A. rugose), and simultaneously determined by reversed phase high performance liquid chromatographic (RP-HPLC) method with ultraviolet detection (RP-HPLC-UV). An InertSustain RP-C18 column was used with the mobile phase consisting of methanol and 0. Read More

    Interpreting comprehensive two-dimensional gas chromatography using peak topography maps with application to petroleum forensics.
    Chem Cent J 2016 28;10:75. Epub 2016 Nov 28.
    Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, 266 Woods Hole Road, Woods Hole, MA 02543 USA.
    Background: Comprehensive two-dimensional gas chromatography [Formula: see text] provides high-resolution separations across hundreds of compounds in a complex mixture, thus unlocking unprecedented information for intricate quantitative interpretation. We exploit this compound diversity across the [Formula: see text] topography to provide quantitative compound-cognizant interpretation beyond target compound analysis with petroleum forensics as a practical application. We focus on the [Formula: see text] topography of biomarker hydrocarbons, hopanes and steranes, as they are generally recalcitrant to weathering. Read More

    Platelet-12 lipoxygenase targeting via a newly synthesized curcumin derivative radiolabeled with technetium-99m.
    Chem Cent J 2016 28;10:73. Epub 2016 Nov 28.
    Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Ein Helwan, Cairo, 11795 Egypt.
    Background: One of the most popular techniques for cancer detection is the nuclear medicine technique. The present research focuses on Platelet-12-lipoxygenase (P-12-LOX) as a promising target for treating and radio-imaging tumor tissues. Curcumin was reported to inhibit this enzyme via binding to its active site. Read More

    Surface-based molecular self-assembly: Langmuir-Blodgett films of amphiphilic Ln(III) complexes.
    Chem Cent J 2016 28;10:72. Epub 2016 Nov 28.
    Chemistry, University of Southampton, Southampton, Hampshire SO17 1BJ UK.
    The unique photophysical properties of the Ln(III) series has led to significant research efforts being directed towards their application in sensors. However, for "real-life" applications, these sensors should ideally be immobilised onto surfaces without loss of function. The Langmuir-Blodgett (LB) technique offers a promising method in which to achieve such immobilisation. Read More

    Synthesis and characterization of novel rhenium(I) complexes towards potential biological imaging applications.
    Chem Cent J 2016 25;10:71. Epub 2016 Nov 25.
    Department of Chemistry, University of Sri Jayewardenepura, Nugegoda, Sri Lanka.
    Background: Re(I) tricarbonyl complexes exhibit immense potential as fluorescence imaging agents. However, only a handful of rhenium complexes have been utilized in biological imaging. The present study describes the synthesis of four novel rhenium complexes, their characterization and preliminary biological studies to assess their potential as biological imaging agents. Read More

    Modeling the transition state structure to probe a reaction mechanism on the oxidation of quinoline by quinoline 2-oxidoreductase.
    Chem Cent J 2016 24;10:70. Epub 2016 Nov 24.
    Department of Chemistry, College of Natural and Computational Science, Haramaya University, Harar, Ethiopia.
    Background: Quinoline 2-oxidoreductase (Qor) is a member of molybdenum hydroxylase which catalyzes the oxidation of quinoline (2, 3 benzopyridine) to 1-hydro-2-oxoquinoline. Qor has biological and medicinal significances. Qor is known to metabolize drugs produced from quinoline for the treatment of malaria, arthritis, and lupus for many years. Read More

    Synthesis of acyl oleanolic acid-uracil conjugates and their anti-tumor activity.
    Chem Cent J 2016 21;10:69. Epub 2016 Nov 21.
    State Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources, Guangxi Normal University, Guilin, 541004 People's Republic of China ; School of Chemistry and Pharmacy, Guangxi Normal University, Guilin, 541004 People's Republic of China.
    Background: Oleanolic acid, which can be isolated from many foods and medicinal plants, has been reported to possess diverse biological activities. It has been found that the acylation of the hydroxyl groups of the A-ring in the triterpene skeleton of oleanolic acid could be favorable for biological activities. The pyrimidinyl group has been constructed in many new compounds in various anti-tumor studies. Read More

    Hydrotalcite-quinolinate composites as catalysts in a coupling reaction.
    Chem Cent J 2016 31;10:68. Epub 2016 Oct 31.
    Instituto de Investigaciones En Materiales, Universidad Nacional Autónoma de México, Circuito exterior s/n, Cd. Universitaria, Del. Coyoacán, CP 04510 México, D. F. Mexico.
    Samples of layered double hydroxides were prepared by a sol-gel procedure. Quinolinate Al(C9H6NO)3 units were added during the synthesis, leading to composite quinolinate hydrotalcite-like compounds. The amount of quinolinate was varied, showing that the number of organic building blocks determines the physicochemical properties of materials, which differ significantly from those commonly reported for hydrotalcites without any quinolinate. Read More

    DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells.
    Chem Cent J 2016 27;10:67. Epub 2016 Oct 27.
    ESTM, (LASMAR), University Moulay Ismaïl, Meknes, Morocco.
    Background: Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches, to shed light on how the π-conjugation order influence the performance of the solar cells. The electron acceptor group was 2-cyanoacrylic for all compounds, whereas the electron donor unit was varied and the influence was investigated.

    Methods: The TD-DFT method, combined with a hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) in conjunction with a polarizable continuum model of salvation (PCM) together with a 6-31G(d,p) basis set, was used to predict the excitation energies, the absorption and the emission spectra of all molecules. Read More

    Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts.
    Chem Cent J 2016 25;10:66. Epub 2016 Oct 25.
    Department of Chemical Engineering, University of Bath, Bath, BA2 7AY UK.
    A critical appraisal of the current strategies for the synthesis of enantiopure drugs is presented, along with a systematic background for the computational design of stereoselective porous polymers. These materials aim to achieve the enantiomeric excess of any chiral drug, avoiding the racemic separation. Particular emphasis is given to link statistical mechanics methods to the description of each one of the experimental stages within the catalyst's synthesis, setting a framework for the fundamental study of the emerging field of molecularly imprinted catalysts. Read More

    Investigation on the self-association of an inorganic coordination compound with biological activity (Casiopeína III-ia) in aqueous solution.
    Chem Cent J 2016 21;10:65. Epub 2016 Oct 21.
    Laboratorio de Biofisicoquímica, Departamento de Fisicoquímica, Facultad de Química, Universidad Nacional Autónoma de México, Mexico, D. F. 04510 Mexico.
    From studies using different experimental techniques employed to determine the presence of aggregates e.g. isothermal titration calorimetry, surface tension, electrical conductivity, UV-Vis spectrophotometry, dynamic and static light scattering, it is clearly demonstrated that the compound [Cu(4, 4'-dimethyl-2, 2'-bipyridine)(acetylacetonato)H2O]NO3 (Casiopeína III-ia), promising member of a family of new generation compounds for cancer treatment, is able to auto associate in aqueous media. Read More

    Further structure-activity relationships study of substituted dithiolethiones as glutathione-inducing neuroprotective agents.
    Chem Cent J 2016 19;10:64. Epub 2016 Oct 19.
    Department of Pharmaceutical Sciences, Manchester University College of Pharmacy, 10627 Diebold Rd, Fort Wayne, IN 46845 USA.
    Background: Parkinson's disease is a neurodegenerative disorder associated with oxidative stress and glutathione depletion. The induction of cellular glutathione levels by exogenous molecules is a promising neuroprotective approach to limit the oxidative damage that characterizes Parkinson's disease pathophysiology. Dithiolethiones, a class of sulfur-containing heterocyclic molecules, are known to increase cellular levels of glutathione; however, limited information is available regarding the influence of dithiolethione structure on activity. Read More

    Quick assessment of the economic value of olive mill waste water.
    Chem Cent J 2016 17;10:63. Epub 2016 Oct 17.
    Istituto per lo Studio dei Materiali Nanostrutturati, CNR, via U. La Malfa 153, 90146 Palermo, Italy.
    Background: Olive biophenols are emerging as a valued class of natural products finding practical application in the food, pharmaceutical, beverage, cosmetic and nutraceutical industries due to their powerful biological activity which includes antioxidant and antimicrobial properties. Olive mill waste water (OMWW), a by-product in olive oil manufacturing, is rich in biophenols such as hydroxytyrosol and tyrosol. The amount of biophenols depends on the cultivar, the geographical area of cultivation, and the seasonal conditions. Read More

    The pharmacokinetics, bioavailability and excretion of bergapten after oral and intravenous administration in rats using high performance liquid chromatography with fluorescence detection.
    Chem Cent J 2016 14;10:62. Epub 2016 Oct 14.
    Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, 300193 China.
    A sensitive, specific, reproducible and optimized high performance liquid chromatography with fluorescence detection (HPLC-FLD) method for the determination of bergapten in rat plasma was established and applied to the pharmacokinetic and bioavailability study in rat after oral and intravenous administration of bergapten. The method was also successfully applied to the excretion study of bergapten after an oral administration of bergapten at a dose of 15 mg kg(-1) to rats. The sample preparation was achieved using liquid-liquid extraction. Read More

    Sol-gel encapsulation of Au nanoparticles in hybrid silica improves gold oxidation catalysis.
    Chem Cent J 2016 13;10:61. Epub 2016 Oct 13.
    Istituto per lo Studio dei Materiali Nanostrutturati, CNR, via U. La Malfa 153, 90146 Palermo, PA Italy.
    Background: The introduction of an heterogeneously catalyzed gold-based alcohol oxidation process of broad applicability using a clean primary oxidant would be highly desirable. Gold is non toxic and carbonyl and carboxyl compounds are widely used to produce medicines, plastics, colorants, paints, detergents, fragrances, flavors, and other valued functional products.

    Results: The sol-gel entrapment of gold nanoparticles in hybrid silica improves gold-based oxidation catalysis applied to the selective oxidation of alcohols with aqueous hydrogen peroxide as eco-friendly primary oxidant. Read More

    Kinetic modeling of nicotine in mainstream cigarette smoking.
    Chem Cent J 2016 12;10:60. Epub 2016 Oct 12.
    Department of Chemistry, Egerton University, P.O Box 536, Egerton, 20115 Kenya.
    Background: The attempt to understand the kinetic behavior of nicotine in tobacco will provide a basis for unraveling its energetics in tobacco burning and the formation of free radicals considered harmful to the cigarette smoking community. To the best of our knowledge, the high temperature destruction kinetic characteristics of nicotine have not been investigated before; hence this study is necessary especially at a time addiction science and tobacco research in general is gaining intense attention.

    Methods: The pyrolysis of tobacco under conditions simulating cigarette smoking in the temperature region 200-700 °C has been investigated for the evolution of nicotine and pyridine from two commercial cigarettes coded ES1 and SM1 using gas chromatography hyphenated to a mass selective detector (MSD). Read More

    Quantification of plasmid DNA reference materials for Shiga toxin-producing Escherichia coli based on UV, HR-ICP-MS and digital PCR.
    Chem Cent J 2016 12;10(1):55. Epub 2016 Sep 12.
    Laboratory of Biometrology, Shanghai Institute of Measurement and Testing Technology, 1500 Zhang Heng Road, Shanghai, 201203 People's Republic of China.
    Background: The accuracy and metrology traceability of DNA quantification is becoming a critical theme in many fields, including diagnosis, forensic analysis, microorganism detection etc. Thus the research of DNA reference materials (RMs) and consistency of DNA quantification methods has attracted considerable research interest.

    Results: In this work, we developed 3 plasmid candidate RMs, containing 3 target genes of Escherichia coli O157:H7 (E. Read More

    New method for sequestration of silver nanoparticles in aqueous media: in route toward municipal wastewater.
    Chem Cent J 2016 26;10(1):54. Epub 2016 Aug 26.
    Département de Biologie, chimie et géographie, Université du Québec à Rimouski, 300 allée des Ursulines, Rimouski, QC G5L 3A1 Canada.
    Background: Nanomaterials are widely used in industry for their specific properties. Silver nanoparticles (Ag NPs) are largely used in several consumer products notably for their antibacterial properties and will likely be found in wastewater, then in the receiving environment. The development of a product capable to sequestrate those released contaminants is needed. Read More

    4-aroylpiperidines and 4-(α-hydroxyphenyl)piperidines as selective sigma-1 receptor ligands: synthesis, preliminary pharmacological evaluation and computational studies.
    Chem Cent J 2016 23;10(1):53. Epub 2016 Aug 23.
    Department of Chemistry, Faculty of Science, University of Buea, P.O. Box 63, Buea, South West Region Cameroon.
    Background: Sigma (σ) receptors are membrane-bound proteins characterised by an unusual promiscuous ability to bind a wide variety of drugs and their high affinity for typical neuroleptic drugs, such as haloperidol, and their potential as alternative targets for antipsychotic agents. Sigma receptors display diverse biological activities and represent potential fruitful targets for therapeutic development in combating many human diseases. Therefore, they present an interesting avenue for further exploration. Read More

    Determination of diclofenac concentrations in human plasma using a sensitive gas chromatography mass spectrometry method.
    Chem Cent J 2016 17;10:52. Epub 2016 Aug 17.
    Department of Chemistry, College of Science, United Arab Emirates University, Al Ain, UAE.
    Background: A gas chromatography mass spectrometry (GCMS) method for the determination of diclofenac in human plasma has been developed and validated.

    Results: This method utilizes hexane which is a relatively less toxic extraction solvent compared to heptane and benzene. In addition, phosphoric acid and acetone were added to the samples as deproteination agents, which increased the recovery of diclofenac. Read More

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