Synthesis and characterization of zinc(II), cadmium(II) and mercury(II) complexes with bis(bidentate) Schiff bases

International Nuclear Information System (INIS)

Das, Mrinal Kanti; Ghosh, Shyamali

1998-01-01

A few Zn(II), Cd(II) and Hg(II) complexes of the bis(bidentate) Schiff bases derived from p-phenylenediamine and salicylaldehyde (H 2 Salpphen), and o-phenylenediamine and o-vanillin (H 2 Vanophen), of the type MCl 2 .H 2 L(H 2 L = H 2 Salpphen or H 2 Vanophen) have been synthesised. The complexes have been characterized by elemental analysis, infrared, 1 H and 13 C NMR and mass spectra. (author)

Synthesis and characterization of heterobimetallic complexes of the type [Cu(pn2][MCl4] where M = Co(II, Ni(II, Cu(II, Zn(II, Cd(II, and Hg(II

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Seema Yadav

2016-11-01

Full Text Available A series of new bimetallic transition metal complexes of the type [Cu(pn2] [MCl4] have been synthesized (where M = Co(II, Ni(II, Cu(II, Zn(II, Cd(II and Hg(II, pn = 1,3-diaminopropane and characterized by elemental analysis, molar conductance, TGA, IR and electronic spectra. All the compounds are 1:1 electrolyte in DMF. The Cu(II ion is square-planar while metal ions in the anionic moiety acquire their usual tetrahedral arrangement. On the basis of these studies it is concluded that anionic moiety is electrically stabilized by its cationic counterpart.

Synthesis, Characterization, and Biological Activity of Mn(II, Fe(II, Co(II, Ni(II, Cu(II, Zn(II, and Cd(II Complexes of N-Thiophenoyl-N′-Phenylthiocarbohydrazide

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M. Yadav

2013-01-01

Full Text Available Mn(II, Fe(II, Co(II, Ni(II, Cu(II, Zn(II, and Cd(II complex of N-thiophenoyl -N′-phenylthiocarbohydrazide (H2 TPTH have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, infrared, NMR, electronic, and ESR spectral studies. The complexes were found to have compositions [Mn(H TPTH2], [Co(TPTH (H2O2], [Ni(TPTH (H2O2], [Cu(TPTH], [Zn(H TPTH], [Cd(H TPTH2], and [Fe(H TPTH2(EtOH]. The magnetic and electronic spectral studies suggest square planar geometry for [Cu(TPTH], tetrahedral geometry for [Zn(TPTH] and [Cd(H TPTH2], and octahedral geometry for rest of the complexes. The infrared spectral studies of the 1 : 1 deprotonated complexes suggest bonding through enolic oxygen, thiolato sulfur, and both the hydrazinic nitrogens. Thus, H2TPTH acts as a binegative tetradentate ligand. H2 TPTH and its metal complexes have been screened against several bacteria and fungi.

Synthesis and Characterization of a New Coordinative Compound of Cu(II with 1-(3 Bromo, 2 Hydroxy, 4 Methylphenyl- 2-(4 Bromo-Phenyl-Sulphanyl- Etanone

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Antighin Simona

2015-07-01

Full Text Available Continuing the research in the field of complex compounds, the authors present in this paper the synthesis and characterization of a new compound of Cu(II with the ligand 1-(3 bromo, 2 hydroxy, 4 methyl-phenyl-2-(4 bromophenyl- sulphanyl-etanone. Different methods were used, such as chemical elemental analysis, thermal-gravimetry, infrared absorption spectroscopy and electronic spin resonance (ESR. From chemical analysis resulted that the combination ratio ligand-central atom is 2:1. The new compound can also be used for gravimetric determination of Cu(II.

Structural characterization of copper (II) tetradecanoate with 2,2′-bipyridine and 4,4′-bipyridine to study magnetic properties

OpenAIRE

Noha Said Bedowr; Rosiyah Binti Yahya; Nesrain Farhan

2018-01-01

This paper presents synthesis, structural characterization and spintronic applications of copper (II) tetradecanoate derived magnetic complexes. The complexes were prepared by a chemical reaction between [Cu2(CH3(CH2)12COO)4](EtOH)2 and 2,2′-bipyridine-4,4′-bipyridine ligands respectively. The complexes were further reacted between the product of the first reaction and 4,4′-bipyridine-2,2′-bipyridine respectively. The structural characterization techniques included elemental analysis, Fourier...

Structural characterization of copper (II tetradecanoate with 2,2′-bipyridine and 4,4′-bipyridine to study magnetic properties

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Noha Said Bedowr

2018-03-01

Full Text Available This paper presents synthesis, structural characterization and spintronic applications of copper (II tetradecanoate derived magnetic complexes. The complexes were prepared by a chemical reaction between [Cu2(CH3(CH212COO4](EtOH2 and 2,2′-bipyridine-4,4′-bipyridine ligands respectively. The complexes were further reacted between the product of the first reaction and 4,4′-bipyridine-2,2′-bipyridine respectively. The structural characterization techniques included elemental analysis, Fourier transformed infrared spectroscopy (FTIR, Ultra-violet–Visible (UV–Vis spectroscopy, polarized optical microscopy, magnetic moment and thermogravimetric analysis. The structural and characterization results suggested that the synthesized complexes were binuclear and mononuclear covalent complexes of copper(II with structural formulas [Cu2(η2-(OOCR4](4,4′-bpy2H2O] and [Cu(η1-(OOCR2(2,2′-bpy (4,4′-bpy] respectively.

Physico - chemical investigation on Co(II), Ni(II), Cu(II), Zn(II), Cd(II), UO2+2 and VO+2 ions-O-(-N-3,5-dichloro-α-pyridone imino)

International Nuclear Information System (INIS)

Mathur, Praveen; Trivedi, Pradeep; Mehta, R.K.

1983-01-01

Studies on the interaction of newly synthesised ligand, O-(N-3, 5-dichloro-α-pyridone imino) benzene sulphonic acid (H 2 PB) with Co(II), Ni(II), Cu(II), Zn(II), Cd(II), UO 2 +2 and VO +2 have been carried out potentiometrically. Many physico-chemical studies on thermodynamics, elemental analysis, molecular weight, magnetic moment, conductance, electronic and IR spectra have also been made on the solid chelates and their adducts. The dissociation constants of H 2 PB and stabilities of its bivalent chelates have been evaluated potentiometrically at 25deg, 35deg and 45degC in aqueous medium (0.01M, 0.05M and 0.1M NaClO 4 ) by Bjerrum's method. The stability sequence is in agreement with the Irving-William's rule. (author)

Synthesis and characterization of the Rhodium (II) citrate complex

International Nuclear Information System (INIS)

Najjar, R.; Santos, F.S. dos; Seidel, W.

1987-01-01

The preparation and characterization of the rhodium (II) citrate is described. Rhodium citrate was prepared by reacting citric acid trihydrated (3,4 g, 16 mmols) with anhydrous rhodium acetate (0,44 g, 1 mmol). Th electronic instruments, thermogravimetric curve and spectrum of rhodium (II) citrate are analysed. (M.J.C.) [pt

Synthesis, spectral characterization thermal stability, antimicrobial studies and biodegradation of starch–thiourea based biodegradable polymeric ligand and its coordination complexes with [Mn(II), Co(II), Ni(II), Cu(II), and Zn(II)] metals

OpenAIRE

Nahid Nishat; Ashraf Malik

2016-01-01

A biodegradable polymer was synthesized by the modification reaction of polymeric starch with thiourea which is further modified by transition metals, Mn(II), Co(II), Ni(II), Cu(II) and Zn(II). All the polymeric compounds were characterized by (FT-IR) spectroscopy, 1H NMR spectroscopy, 13C NMR spectroscopy, UV–visible spectra, magnetic moment measurements, thermogravimetric analysis (TGA) and antibacterial activities. Polymer complexes of Mn(II), Co(II) and Ni(II) show octahedral geometry, wh...

PWR steam generator chemical cleaning. Phase II. Final report

International Nuclear Information System (INIS)

1980-01-01

Two techniques believed capable of chemically dissolving the corrosion products in the annuli between tubes and support plates were developed in laboratory work in Phase I of this project and were pilot tested in Indian Point Unit No. 1 steam generators. In Phase II, one of the techniques was shown to be inadequate on an actual sample taken from an Indian Point Unit No. 2 steam generator. The other technique was modified slightly, and it was demonstrated that the tube/support plate annulus could be chemically cleaned effectively

Bis(bipyridine)ruthenium(II) complexes with an aliphatic sulfinato donor: synthesis, characterization, and properties.

Science.gov (United States)

Tamura, Motoshi; Tsuge, Kiyoshi; Igashira-Kamiyama, Asako; Konno, Takumi

2011-06-06

Treatment of a thiolato-bridged Ru(II)Ag(I)Ru(II) trinuclear complex, [Ag{Ru(aet)(bpy)(2)}(2)](3+) (aet = 2-aminoethanthiolate; bpy = 2,2'-bipyridine), with NaI in aqueous ethanol under an aerobic condition afforded a mononuclear ruthenium(II) complex having an S-bonded sulfinato group, [1](+) ([Ru(aesi-N, S)(bpy)(2)](+) (aesi = 2-aminoethanesulfinate)). Similar treatment of optically active isomers of an analogous Ru(II)Ag(I)Ru(II) trinuclear complex, Δ(D)Δ(D)- and Λ(D)Λ(D)-[Ag{Ru(d-Hpen-O,S)(bpy)(2)}(2)](3+) (d-pen = d-penicillaminate), with NaI also produced mononuclear ruthenium(II) isomers with an S-bonded sulfinato group, Δ(D)- and Λ(D)-[2](+) ([Ru(d-Hpsi-O,S)(bpy)(2)](+) (d-psi = d-penicillaminesulfinate)), respectively, retaining the bidentate-O,S coordination mode of a d-Hpen ligand and the absolute configuration (Δ or Λ) about a Ru(II) center. On refluxing in water, the Δ(D) isomer of [2](+) underwent a linkage isomerization to form Δ(D)-[3] (+) ([Ru(d-Hpsi-N,S)(bpy)(2)](+)), in which a d-Hpsi ligand coordinates to a Ru(II) center in a bidentate-N,S mode. Complexes [1](+), Δ(D)- and Λ(D)-[2](+), and Δ(D)-[3](+) were fully characterized by electronic absorption, CD, NMR, and IR spectroscopies, together with single-crystal X-ray crystallography. The electrochemical properties of these complexes, which are highly dependent on the coordination mode of sulfinate ligands, are also described. © 2011 American Chemical Society

Synthesis and properties of complexes of copper(II), nickel(II), cobalt(II) and uranyl ions with 3-(p-tolylsulphonamido)rhodamine

International Nuclear Information System (INIS)

El-Bindary, A.A.; El-Sonbati, A.Z.

2000-01-01

Metal complexes of copper(II), nickel(II), cobalt(II) and uranyl ions with 3-(p-tolylsulphonamido)rhodamine (HL) have been prepared and characterized by chemical and thermal analyses, molar conductivity , magnetic susceptibility measurements, and infrared, electronic and EPR spectra. The visible and EPR spectra indicated that the Cu(II) complex has a tetragonal geometry. From EPR spectrum of the Cu(II) complex,various parameters were calculated. The crystal field parameters of Ni(II) complex were calculated and were found to agree fairly well with the values reported for known square pyramidal complexes. The infrared spectral studies showed a monobasic bidentate behaviour with the oxygen and nitrogen donor system. Thermal stabilities of the complexes are also reported. (author)

New copper(II) complexes with dopamine hydrochloride and vanillymandelic acid: Spectroscopic and thermal characterization

Science.gov (United States)

Mohamed, Gehad G.; Nour El-Dien, F. A.; El-Nahas, R. G.

2011-10-01

The dopamine derivatives participate in the regulation of wide variety of physiological functions in the human body and in medication life. Increase and/or decrease in the concentration of dopamine in human body reflect an indication for diseases such as Schizophrenia and/or Parkinson diseases. The Cu(II) chelates with coupled products of dopamine hydrochloride (DO.HCl) and vanillymandelic acid (VMA) with 4-aminoantipyrine (4-AAP) are prepared and characterized. Different physico-chemical techniques namely IR, magnetic and UV-vis spectra are used to investigate the structure of these chelates. Cu(II) forms 1:1 (Cu:DO) and 1:2 (Cu:VMA) chelates. DO behave as a uninegative tridentate ligand in binding to the Cu(II) ion while VMA behaves as a uninegative bidentate ligand. IR spectra show that the DO is coordinated to the Cu(II) ion in a tridentate manner with ONO donor sites of the phenolic- OH, -NH and carbonyl- O, while VMA is coordinated with OO donor sites of the phenolic- OH and -NH. Magnetic moment measurements reveal the presence of Cu(II) chelates in octahedral and square planar geometries with DO and VMA, respectively. The thermal decomposition of Cu(II) complexes is studied using thermogravimetric (TG) and differential thermal analysis (DTA) techniques. The activation thermodynamic parameters, such as, energy of activation, enthalpy, entropy and free energy change of the complexes are evaluated and the relative thermal stability of the complexes are discussed.

Chemical and mineralogical characterization of iron concretions of some Brazilian soils

International Nuclear Information System (INIS)

Soares, M.F.

1980-01-01

Chemical and physical analyses of concretionary materials were carried out, with the purpose of getting chemical and mineralogical characteristics of concretions found in some Brazilian soils in different ecosystems spectrophotometry was used for the chemical characterization, and x-ray diffraction and Moessbauer spectroscopy for the mineralogical characterization of the materials studied. (A.R.H.) [pt

Chemical Rescue of Enzymes: Proton Transfer in Mutants of Human Carbonic Anhydrase II

Science.gov (United States)

Maupin, C. Mark; Castillo, Norberto; Taraphder, Srabani; Tu, Chingkuang; McKenna, Robert; Silverman, David N.; Voth, Gregory A.

2011-01-01

In human carbonic anhydrase II (HCA II) the mutation of position 64 from histidine to alanine (H64A) disrupts the rate limiting proton transfer (PT) event, resulting in a reduction of the catalytic activity of the enzyme as compared to the wild-type. Potential of mean force (PMF) calculations utilizing the multistate empirical valence bond (MS-EVB) methodology for H64A HCA II give a PT free energy barrier significantly higher than that found in the wild-type enzyme. This high barrier, determined in the absence of exogenous buffer and assuming no additional ionizable residues in the PT pathway, indicates the likelihood of alternate enzyme pathways that utilize either ionizable enzyme residues (self-rescue) and/or exogenous buffers (chemical rescue). It has been shown experimentally that the catalytic activity of H64A HCA II can be chemically rescued to near wild type levels by the addition of the exogenous buffer 4-methylimidazole (4MI). Crystallographic studies have identified two 4MI binding sites, yet site specific mutations intended to disrupt 4MI binding have demonstrated these sites to be non-productive. In the present work MS-EVB simulations show that binding of 4MI near Thr199 in the H64A HCA II mutant, a binding site determined by NMR spectroscopy, results in a viable chemical rescue pathway. Additional viable rescue pathways are also identified where 4MI acts as a proton transport intermediary from the active site to ionizable residues on the rim of the active site, revealing a probable mode of action for the chemical rescue pathway PMID:21452838

CHEMICAL DIVERSITY IN THE ULTRA-FAINT DWARF GALAXY TUCANA II

Energy Technology Data Exchange (ETDEWEB)

Ji, Alexander P.; Frebel, Anna; Ezzeddine, Rana [Department of Physics and Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Casey, Andrew R., E-mail: alexji@mit.edu [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge, CB3 0HA (United Kingdom)

2016-11-20

We present the first detailed chemical abundance study of the ultra-faint dwarf galaxy Tucana II, based on high-resolution Magellan/MIKE spectra of four red giant stars. The metallicities of these stars range from [Fe/H] = −3.2 to −2.6, and all stars are low in neutron-capture abundances ([Sr/Fe] and [Ba/Fe] < −1). However, a number of anomalous chemical signatures are present. One star is relatively metal-rich ([Fe/H] = −2.6) and shows [Na, α , Sc/Fe] < 0, suggesting an extended star formation history with contributions from AGB stars and SNe Ia. Two stars with [Fe/H] < −3 are mildly carbon-enhanced ([C/Fe] ∼ 0.7) and may be consistent with enrichment by faint supernovae, if such supernovae can produce neutron-capture elements. A fourth star with [Fe/H] = −3 is carbon-normal, and exhibits distinct light element abundance ratios from the carbon-enhanced stars. This carbon-normal star implies that at least two distinct nucleosynthesis sources, both possibly associated with Population III stars, contributed to the early chemical enrichment of this galaxy. Despite its very low luminosity, Tucana II shows a diversity of chemical signatures that preclude it from being a simple “one-shot” first galaxy yet still provide a window into star and galaxy formation in the early universe.

CHEMICAL DIVERSITY IN THE ULTRA-FAINT DWARF GALAXY TUCANA II

International Nuclear Information System (INIS)

Ji, Alexander P.; Frebel, Anna; Ezzeddine, Rana; Casey, Andrew R.

2016-01-01

We present the first detailed chemical abundance study of the ultra-faint dwarf galaxy Tucana II, based on high-resolution Magellan/MIKE spectra of four red giant stars. The metallicities of these stars range from [Fe/H] = −3.2 to −2.6, and all stars are low in neutron-capture abundances ([Sr/Fe] and [Ba/Fe] < −1). However, a number of anomalous chemical signatures are present. One star is relatively metal-rich ([Fe/H] = −2.6) and shows [Na, α , Sc/Fe] < 0, suggesting an extended star formation history with contributions from AGB stars and SNe Ia. Two stars with [Fe/H] < −3 are mildly carbon-enhanced ([C/Fe] ∼ 0.7) and may be consistent with enrichment by faint supernovae, if such supernovae can produce neutron-capture elements. A fourth star with [Fe/H] = −3 is carbon-normal, and exhibits distinct light element abundance ratios from the carbon-enhanced stars. This carbon-normal star implies that at least two distinct nucleosynthesis sources, both possibly associated with Population III stars, contributed to the early chemical enrichment of this galaxy. Despite its very low luminosity, Tucana II shows a diversity of chemical signatures that preclude it from being a simple “one-shot” first galaxy yet still provide a window into star and galaxy formation in the early universe.

Synthesis, Characterization and Antimicrobial Studies of a New Mannich Base N-[Morpholino(phenylmethyl]acetamide and Its Cobalt(II, Nickel(II and Copper(II Metal Complexes

Directory of Open Access Journals (Sweden)

L. Muruganandam

2012-01-01

Full Text Available A new Mannich base N-[morpholino(phenylmethyl]acetamide (MBA, was synthesized and characterized by spectral studies. Chelates of MBA with cobalt(II, nickel(II and copper(II ions were prepared and characterized by elemental analyses, IR and UV spectral studies. MBA was found to act as a bidentate ligand, bonding through the carbonyl oxygen of acetamide group and CNC nitrogen of morpholine moiety in all the complexes. Based on the magnetic moment values and UV-Visible spectral data, tetracoordinate geometry for nitrato complexes and hexacoordinate geometry for sulphato complexes were assigned. The antimicrobial studies show that the Co(II nitrato complex is more active than the other complexes.

Adsorption study of copper (II) by chemically modified orange peel

International Nuclear Information System (INIS)

Feng Ningchuan; Guo Xueyi; Liang Sha

2009-01-01

An adsorbent, the chemically modified orange peel, was prepared from hydrolysis of the grafted copolymer, which was synthesized by interaction of methyl acrylate with cross-linking orange peel. The presence of poly (acrylic acid) on the biomass surface was verified by infrared spectroscopy (IR), scanning electron microscopy (SEM) and thermogravimetry (TG). Total negative charge in the biomass surface and the zeta potentials were determined. The modified biomass was found to present high adsorption capacity and fast adsorption rate for Cu (II). From Langmuir isotherm, the adsorption capacity for Cu (II) was 289.0 mg g -1 , which is about 6.5 times higher than that of the unmodified biomass. The kinetics for Cu (II) adsorption followed the pseudo-second-order kinetics. The adsorbent was used to remove Cu (II) from electroplating wastewater and was suitable for repeated use for more than four cycles.

Synthesis and Characterization of a Triphos Ligand Derivative and the Corresponding Pd ^II Complexes: Triphos Ligand Derivative and Corresponding Pd ^II Complexes

Energy Technology Data Exchange (ETDEWEB)

Miller, Deanna L.; Boro, Brian J.; Grubel, Katarzyna; Helm, Monte L.; Appel, Aaron M.

2015-11-16

The synthesis of the new bis(2-(diphenylphosphino)ethyl)methylhydroxyphosphine tridentate phosphine ligand, LCH2OH/Ph, is reported. The ligand reacts with [Pd(Cl)2(PhCN)2 to form [Pd(LCH2OH/Ph)Cl]Cl. Exchange of the chloride ions for triflate (OTf–) using AgOTf yielded pure [Pd(LCH2OH/Ph)OTf]OTf. In addition to spectral characterization the free ligand, LCH2OH/Ph, and Pd(II) complex, [Pd(LCH2OH/Ph)OTf]OTf, are structurally characterized. This research was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences, and Geosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated by Battelle for DOE.

Physicochemical characterization of ceramics from Sao Paulo II archaeological site; Caracterizacao fisico-quimica da ceramica do sitio arqueologico Sao Paulo II

Energy Technology Data Exchange (ETDEWEB)

Ribeiro, Rogerio Baria

2013-08-01

Archaeometry is a consolidated field with a wide application of nuclear analytical techniques for the characterization, protection, and restoration of archaeological pieces. This project aimed at studying the elementary chemical composition of 70 ceramic fragments samples from Sao Paulo II archaeological site, located along the Solimoes River channel, next to Coari city, in Brazilian Amazon. The characterization of samples was performed by neutron activation analysis (NAA). By the determination of 24 elements in the ceramic fragments ( Ce, Co, Cr, Cs, Eu, Fe, Hf, K, La, Lu, Na, Nd, Sb, Sm. Rb, Se, Ta, Tb, Th, U, Yb and Zn), it was possible to define groups of samples regarding the similarity/dissimilarity in elementary chemical composition. For such a task, the multivariate statistical methods employed were cluster analysis (C A), principal component analysis (PCA) and discriminant analysis (DA). Afterwards, seven ceramic fragments were selected based on the groups previously established, for the characterization of the site temporal horizon. Those ceramic fragments were analyzed by thermoluminescence (TL) and EPR for dating purposes. The firing temperatures were determined by electron paramagnetic resonance (EPR) technique, in order to infer about some aspects of the ceramic manufacture employed by the ancient peoples that lived in Sao Paulo 11. By the results obtained in this study, it was possible to identify the quantity of clay sources employed by the ceramists and the age of the ceramic pieces. Therefore, the results of this research may contribute to the study on the occupation dynamics in the pre-colonial Brazilian Amazon. (author)

Ni(II, Pd(II and Pt(II complexes with ligand containing thiosemicarbazone and semicarbazone moiety: synthesis, characterization and biological investigation

Directory of Open Access Journals (Sweden)

SULEKH CHANDRA

2008-07-01

Full Text Available The synthesis of nickel(II, palladium(II and platinum(II complexes with thiosemicarbazone and semicarbazone of p-tolualdehyde are reported. All the new compounds were characterized by elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, 1H-NMR, IR and electronic spectral studies. Based on the molar conductance measurements in DMSO, the complexes may be formulated as [Ni(L2Cl2] and [M(L2]Cl2 (where M = Pd(II and Pt(II due to their non-electrolytic and 1:2 electrolytic nature, respectively. The spectral data are consistent with an octahedral geometry around Ni(II and a square planar geometry for Pd(II and Pt(II, in which the ligands act as bidentate chelating agents, coordinated through the nitrogen and sulphur/oxygen atoms. The ligands and their metal complexes were screened in vitro against fungal species Alternaria alternata, Aspergillus niger and Fusarium odum, using the food poison technique.

Adhesion of nitrile rubber to UV-assisted surface chemical modified PET fabric, part II: Interfacial characterization of MDI grafted PET

Energy Technology Data Exchange (ETDEWEB)

Razavizadeh, Mahmoud; Jamshidi, Masoud, E-mail: mjamshidi@iust.ac.ir

2016-08-30

Highlights: • In this research UV-irradiated PET fabric was chemically modified. • The fabric at first carboxylated under UV irradiation using glutaric anhydride, then it was grafted using isocyanate (i.e. MDI). • The surface of the fabric was characterized before and after each treating satge. • The composite samples were prepared and tested for T-Peel test. The surfaces of the fabrics were surface characterized to understand. - Abstract: Fiber to rubber adhesion is an important subject in rubber industry. It is well known that surface treatment (i.e. physical, mechanical and chemical) is an effective method to improve interfacial bonding of fibers and/or fabrics to rubbers. UV irradiation is an effective method which has been used to increase fabric-rubber interfacial interactions. In this research UV assisted chemical modification of PET fabrics was used to increase PET to nitrile rubber (NBR) adhesion. Nitrile rubber is a perfect selection as fuel and oil resistant rubber. However it has weak bonding to PET fabric. For this purpose PET fabric was carboxylated under UV irradiation and then methylenediphenyl diisocyanate (MDI) was grafted on carboxylated PET. The chemical composition of the fabric before and after surface treatment was investigated by X-ray photoelectron spectroscopy (XPS). The sectional morphology of the experimental PET fibers and the interface between rubber compound and PET fabric was studied using scanning electron microscope (SEM). The morphology and structure of the product were analyzed by an energy dispersive X-ray spectrometer (EDX). FTIR-ATR and H NMR analysis were used to assess surface modifications on the PET irradiated fabrics.

Adhesion of nitrile rubber to UV-assisted surface chemical modified PET fabric, part II: Interfacial characterization of MDI grafted PET

International Nuclear Information System (INIS)

Razavizadeh, Mahmoud; Jamshidi, Masoud

2016-01-01

Highlights: • In this research UV-irradiated PET fabric was chemically modified. • The fabric at first carboxylated under UV irradiation using glutaric anhydride, then it was grafted using isocyanate (i.e. MDI). • The surface of the fabric was characterized before and after each treating satge. • The composite samples were prepared and tested for T-Peel test. The surfaces of the fabrics were surface characterized to understand. - Abstract: Fiber to rubber adhesion is an important subject in rubber industry. It is well known that surface treatment (i.e. physical, mechanical and chemical) is an effective method to improve interfacial bonding of fibers and/or fabrics to rubbers. UV irradiation is an effective method which has been used to increase fabric-rubber interfacial interactions. In this research UV assisted chemical modification of PET fabrics was used to increase PET to nitrile rubber (NBR) adhesion. Nitrile rubber is a perfect selection as fuel and oil resistant rubber. However it has weak bonding to PET fabric. For this purpose PET fabric was carboxylated under UV irradiation and then methylenediphenyl diisocyanate (MDI) was grafted on carboxylated PET. The chemical composition of the fabric before and after surface treatment was investigated by X-ray photoelectron spectroscopy (XPS). The sectional morphology of the experimental PET fibers and the interface between rubber compound and PET fabric was studied using scanning electron microscope (SEM). The morphology and structure of the product were analyzed by an energy dispersive X-ray spectrometer (EDX). FTIR-ATR and H NMR analysis were used to assess surface modifications on the PET irradiated fabrics.

Coordination behavior of tetraaza [N4] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: Synthesis, spectroscopic characterization and anticancer activity

Science.gov (United States)

El-Boraey, Hanaa A.

2012-11-01

Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N4] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate dx2-y2 ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC50 = 25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line.

Characterization and Prediction of Chemical Functions and ...

Science.gov (United States)

Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chemicals from public sources and used a clustering algorithm to assign chemicals into 35 harmonized function categories (e.g., plasticizers, antimicrobials, solvents). We combined these functions with weight fraction data for 4115 personal care products (PCPs) to characterize the composition of 66 different product categories (e.g., shampoos). We analyzed the combined weight fraction/function dataset using machine learning techniques to develop quantitative structure property relationship (QSPR) classifier models for 22 functions and for weight fraction, based on chemical-specific descriptors (including chemical properties). We applied these classifier models to a library of 10196 data-poor chemicals. Our predictions of chemical function and composition will inform exposure-based screening of chemicals in PCPs for combination with hazard data in risk-based evaluation frameworks. As new information becomes available, this approach can be applied to other classes of products and the chemicals they contain in order to provide essential consumer product data for use in exposure-b

Synthesis, characterization and biological studies of 2-(4-nitro phenylaminocarbonyl)benzoic acid and its complexes with Cr(III), Co(II), Ni(II), Cu(II) and Zn(II)

International Nuclear Information System (INIS)

Aqeel Ashraf, M.; Jamil Maah, M.; Yusuf, I.

2012-01-01

Cr(III), Co(II), Ni(II), Cu(II) and Zn(II) salts of 2-(4-nitro phenylaminocarbonyl)benzoic acid were characterized by physical, analytical and spectroscopic studies and checked for their in-vitro antimicrobial activity against three bacterial strains, Mycobacterium smegmatis (Gram +ve), Escherichia coli (Gram -ve), Pseudomonas aeuroginosa (Gram -ve) and three fungal strains, Nigrospora oryzae, Aspergillus niger and Candida albicans. The antimicrobial activities of the metal complexes - were found to be greater than those of 2-(4-nitro phenylaminocarbonyl)benzoic acid alone.

Single-Crystalline cooperite (PtS): Crystal-Chemical characterization, ESR spectroscopy, and {sup 195}Pt NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Rozhdestvina, V. I., E-mail: veronika@ascnet.ru; Ivanov, A. V.; Zaremba, M. A. [Far East Division, Russian Academy of Sciences, Institute of Geology and Nature Management (Russian Federation); Antsutkin, O. N.; Forsling, W. [Lulea University of Technology (Sweden)

2008-05-15

Single-crystalline cooperite (PtS) with a nearly stoichiometric composition was characterized in detail by X-ray diffraction, electron-probe X-ray microanalysis, and high-resolution scanning electron microscopy. For the first time it was demonstrated that {sup 195}Pt static and MAS NMR spectroscopy can be used for studying natural platinum minerals. The {sup 195}Pt chemical-shift tensor of cooperite was found to be consistent with the axial symmetry and is characterized by the following principal values: {delta}{sub xx} = -5920 ppm, {delta}{sub yy} = -3734 ppm, {delta}{sub zz} = +4023 ppm, and {delta}{sub iso} = -1850 ppm. According to the ESR data, the samples of cooperite contain copper(II), which is adsorbed on the surface during the layer-by-layer crystal growth and is not involved in the crystal lattice.

Synthesis, Structural Characterization and Antimicrobial Activity of Cu(II and Fe(III Complexes Incorporating Azo-Azomethine Ligand

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Mohammad Azam

2018-04-01

Full Text Available We are reporting a novel azo-azomethine ligand, HL and its complexes with Cu(II and Fe(III ions. The ligand and its complexes are characterized by various physico-chemical techniques using C,H,N analyses, FT-IR, 1H-NMR, ESI-MS and UV-Vis studies. TGA analyses reveal complexes are sufficiently stable and undergo two-step degradation processes. The redox behavior of the complexes was evaluated by cyclic voltammetry. Furthermore, the ligand and its complexes were tested for antimicrobial activity against bacterial and fungal strains by determining inhibition zone, minimal inhibitory concentration (MIC and minimal bactericidal concentration (MBC. The complexes showed moderate antimicrobial activity when tested against Gram +ve and Gram −ve bacterial strains. To obtain insights into the structure of ligand, DFT studies are recorded. The results obtained are quite close to the experimental results. In addition, the energy gap, chemical hardness, softness, electronegativity, electrophilic index and chemical potential were calculated using HOMO, LUMO energy value of ligand.

Chemical Stability of Cd(II and Cu(II Ionic Imprinted Amino-Silica Hybrid Material in Solution Media

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Buhani, Narsito, Nuryono, Eko Sri Kunarti

2015-12-01

Full Text Available Chemical stability of Cd(II and Cu(II ionic imprinted hybrid material of (i-Cd-HAS and i-Cu-HAS derived from silica modification with active compound (3-aminopropyl-trimethoxysilane (3-APTMS has been studied in solution media. Stability test was performed with HNO3 0.1 M (pH 1.35 to investigate material stability at low pH condition, CH3COONa 0.1 M (pH 5.22 for adsorption process optimum pH condition, and in the water (pH 9.34 for base condition. Material characteristics were carried out with infrared spectrophotometer (IR and atomic absorption spectrophotometer (AAS. At interaction time of 4 days in acid and neutral condition, i-Cd-HAS is more stable than i-Cu-HAS with % Si left in material 95.89 % (acid media, 43.82 % (close to neutral, and 9.39 % (base media.Keywords: chemical stability, amino-silica hybrid, ionic imprinting technique

Chemical Stability of Cd(II and Cu(II Ionic Imprinted Amino-Silica Hybrid Material in Solution Media

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Buhani Buhani

2012-02-01

Full Text Available Chemical stability of Cd(II and Cu(II ionic imprinted amino-silica (HAS material of (i-Cd-HAS and i-Cu-HAS derived from silica modification with active compound (3-aminopropyl-trimethoxysilane (3-APTMS has been studied in solution media.  Stability test was performed with HNO3 0.1 M (pH 1.35 to investigate material stability at low pH condition, acetat buffer at pH 5.22 for adsorption process optimum pH condition, and in the water (pH 9.34 for base condition.  Material characteristics were carried out with infrared spectrophotometer (IR and atomic absorption spectrophotometer (AAS.  At interaction time of 4 days in acid and neutral condition, i-Cd-HAS is more stable than i-Cu-HAS with % Si left in material 95.89 % (acid media, 43.82 % (close to neutral, and 9.39 % (base media.Keywords: chemical stability, amino-silica hybrid, ionic imprinting technique.

Synthesis and characterization of chromium(III), manganese(II), iron(III), cobalt(II), nickel(II), copper(II), cadmium(II) and dioxouranium(VI) complexes of 4(2-pyridyl)-1-(2,4-dihydroxybenzaldehyde)-3-thiosemicarbazone

International Nuclear Information System (INIS)

Abu El-Reash, G.M.; Ibrahim, M.M.; Kenawy; El-Ayaan, Usama; Khattab, M.A.

1994-01-01

A few complexes of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and dioxouranium(VI) with 4(2-pyridyl)-1-(2,4-dihydroxybenzaldehyde)-3-thiosemicarbazone have been synthesised and characterized on the basis of elemental analysis, IR, electronic NMR, and magnetic moment data. An octahedral structure is proposed for the Cr(III), Fe(III), Co(II) and Ni(H 3 PBT) 2 Cl 2 .2H 2 O complexes; a tetrahedral structure for the Mn(II) and Ni 2 (PBT)OAc.H 2 0 complexes and a square planar structure for the Cu(II) complexes. The antimicrobial and antifungal activities of H 3 PBT and of its metal(II) complexes are investigated. The results reveal that H 3 PBT exhibits greater antimicrobial activities than its complexes. (author). 34 refs., 4 figs., 2 tabs

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. ADRITY BAIDYA. Articles written in Journal of Chemical Sciences. Volume 130 Issue 4 April 2018 pp 35. Synthesis, characterization and antimicrobial studies of cadmium(II) complexes with a tetraazamacrocycle (LB) and its cyanoethyl N-pendent derivative (LBX) · MD SHAH ...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. V Gopal Reddy. Articles written in Journal of Chemical Sciences. Volume 123 Issue 4 July 2011 pp 371-378. Synthesis and photoelectrochemical characterization of a high molar extinction coefficient heteroleptic ruthenium(II) complex · L Giribabu Vrun Kumar Singh M ...

Spectroscopic characterization of furosemide binding to human carbonic anhydrase II.

Science.gov (United States)

Ranjbar, Samira; Ghobadi, Sirous; Khodarahmi, Reza; Nemati, Houshang

2012-05-01

This study reports the interaction between furosemide and human carbonic anhydrase II (hCA II) using fluorescence, UV-vis and circular dichroism (CD) spectroscopy. Fluorescence data indicated that furosemide quenches the intrinsic fluorescence of the enzyme via a static mechanism and hydrogen bonding and van der Walls interactions play the major role in the drug binding. The binding average distance between furosemide and hCA II was estimated on the basis of the theory of Förster energy transfer. Decrease of protein surface hydrophobicity was also documented upon furosemide binding. Chemical modification of hCA II using N-bromosuccinimide indicated decrease of the number of accessible tryptophans in the presence of furosemide. CD results suggested the occurance of some alterations in α-helical content as well as tertiary structure of hCA II upon drug binding. Copyright © 2012 Elsevier B.V. All rights reserved.

Transition metal M(II complexes with isonicotinoylhydrazone-9-anthraldehyde

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Dianu M.L.

2010-01-01

Full Text Available New complexes of isonicotinoylhydrazone-9-anthraldehyde with Cu(II, Co(II and Ni(II have been prepared and characterized by analytical and physico-chemical techniques, such as elemental and thermal analyses, magnetic susceptibility and conductivity measurements, and electronic, EPR and IR spectral studies. The infrared spectral studies revealed the bidentate or monodentate nature of the Schiff base in the complexes; the pyridine nitrogen does not participate in the coordination. A tetrahedral geometry is suggested for the nitrate-complexes and an octahedral geometry for the others. Thermal studies support the chemical formulation of these complexes.

Synthesis, Characterization and Antimicrobial Activity of Cu(II, Co(II and Ni(II Complexes with O, N, and S Donor Ligands

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Vidyavati Reddy

2008-01-01

Full Text Available The complexes of the type ML2 [where M = Cu(II, Co(II, and Ni(II] L = 1-phenyl-1-ene-3-(2-hydroxyphenyl-prop-2-ene with 3- substituted-5-mercapto-4-amino-1,2,4-triazoles. Schiff base ligands have been prepared by reacting 3-(2-hydroxyphenyl-1-phenylprop-2-en-1-one and 3-phenyl/pyridyl-4-amino-5-mercapto-1,2,4-triazoles in an alcoholic medium. The complexes are non-electrolytes in DMF. The resulting complexes were characterized by elemental analysis, magnetic measurements, conductivity measurements and spectral studies. The Schiff base acts as a tridentate dibasic and coordinating through the deprotonated oxygen, thioenolic sulphur and azomethine nitrogen atoms. It is found that Cu(II, Co(II, and Ni(II complexes exhibited octahedral geometry. The antimicrobial activities of ligands and its complexes were screened by cup plate method.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. Y Soujnya. Articles written in Journal of Chemical Sciences. Volume 123 Issue 4 July 2011 pp 371-378. Synthesis and photoelectrochemical characterization of a high molar extinction coefficient heteroleptic ruthenium(II) complex · L Giribabu Vrun Kumar Singh M Srinivasu Ch ...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. S Esthar. Articles written in Journal of Chemical Sciences. Volume 116 Issue 4 June 2004 pp 209-213 Full Papers. A new Mannich base and its transition metal (II) complexes - Synthesis, structural characterization and electrochemical study · N Raman S Esthar C Thangaraja.

High-Frequency H-1 NMR Chemical Shifts of Sn-II and Pb-II Hydrides Induced by Relativistic Effects: Quest for Pb-II Hydrides

Czech Academy of Sciences Publication Activity Database

Vícha, J.; Marek, R.; Straka, Michal

2016-01-01

Roč. 55, č. 20 (2016), s. 10302-10309 ISSN 0020-1669 Institutional support: RVO:61388963 Keywords : hydrides of TlI and PbII * high-frequency 1H chemical shifts * relativistic effects Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.857, year: 2016

Recombinant allergen Lol p II: expression, purification and characterization.

Science.gov (United States)

Tamborini, E; Brandazza, A; De Lalla, C; Musco, G; Siccardi, A G; Arosio, P; Sidoli, A

1995-05-01

Pollen from perennial rye grass (Lolium perenne) is a major cause of type I allergies worldwide. It contains complex mixtures of proteins, among which Lol p II is a major allergen. Previously, we have reported the cloning and sequencing of Lol p II and its expression in fusion with the heavy chain of human ferritin as carrier polypeptide (Sidoli et al., 1993, J. biol. Chem. 268, 21819-21825). Here, we describe the expression, purification and characterization of a recombinant Lol p II overproduced as a non-fusion protein in the periplasm of E. coli. The recombinant allergen was expressed in high yields and was easily purified in milligram amounts. It competed with the natural Lol p II for binding to specific IgE, and it induced allergic responses in skin prick tests, indicating to be immunologically analogous to the natural protein. Biochemical analyses indicate that recombinant Lol p II is a highly stable and soluble monomeric molecule which behaves like a small globular protein.

Synthesis, characterization and anti-fungal evaluation of Ni(II and Cu(II complexes with a derivative of 4-aminoantipyrine

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Monika Tyagi

2017-01-01

Full Text Available Transition metal complexes of Ni(II and Cu(II metal ions with the general stoichiometry [M(LX]X and [M(LSO4], where M = Ni(II and Cu(II, L = (1E-N-((5-((E-(2,3-dimethyl-1-phenyl-4-pyrazolineiminomethylthiophen-2-ylmethylene-2,3-dimethyl-1-phenyl-4-pyrazolineamine and X = Cl−, NO3− and SO42−, have been synthesized and characterized. The synthesized ligand and metal complexes were characterized by 1H NMR, IR, mass spectrometry, UV–Vis spectra and EPR. In molecular modelling, the geometries of the Schiff's base and metal complexes were fully optimized with respect to the energy using the 6-31g(d,p basis set. The nickel(II complexes were found to have octahedral geometry, whereas the copper(II complexes were of tetragonal geometry. The covalency factor (β and orbital reduction factor (k suggest the covalent nature of the complexes. To develop broad spectrum new molecules against seed-borne fungi, the minimum inhibitory concentration (MIC of the ligand and its metal complexes was evaluated by the serial dilution method.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 127; Issue 12. Synthesis, characterization, X-ray crystal structure, ... The Cu(II) center is coordinated by two oxygen and one nitrogen donors of L2− and nitrogen atoms of the heterocyclic group. Electrochemical studies of the Cu(II) complex showed shifts in the ligand ...

Temperature buffer test. Hydro-mechanical and chemical/ mineralogical characterizations

Energy Technology Data Exchange (ETDEWEB)

Aakesson, Mattias; Olsson, Siv; Dueck, Ann; Nilsson, Ulf; Karnland, Ola [Clay Technology AB, Lund (Sweden); Kiviranta, Leena; Kumpulainen, Sirpa [BandTech Oy, Helsinki (Finland); Linden, Johan [Aabo Akademi, Aabo (Finland)

2012-01-15

TEM), iron oxidation state (Moessbauer spectroscopy). The retention tests, the CEC-determinations, the chemical analyses by ICP, and the mineralogical analyses by XRD and FTIR were performed on bulk samples as well as on a Na-converted fine fraction (<0.5 {mu}m). The latter fraction was subjected also to TEM analyses. The hydro-mechanical characterizations of the bentonite resulted in the following observations: i) compared to the reference material no large deviation was seen in the retention curves for the Na converted fine fraction of the material from the innermost positions, and for the bulk material from the same positions a marked deviation was observed for equilibrium with RH = 97%; ii) a reduction in swelling pressure was observed on re-saturated samples from the field experiment, especially on those from the innermost part. Measured hydraulic conductivity values were generally scattered, but displayed a tendency with increased values on re-saturated specimens drilled from the innermost part, and a similar tendency was also observed on ground and re-compacted specimens and specimens prepared from dried material; iii) the triaxial test performed on the one specimen from the inner part demonstrated a brittle behaviour involving high stiffness, high shear strength, and low strain at failure; and iv) the unconfined compression tests demonstrated a reduced strain at failure on all specimens from the field material, and also a reduced maximum deviator stress on the re-saturated specimens from the innermost position. The chemical/mineralogical characterization indicated that: i) sulfate was redistributed under the thermal and hydration gradients that were prevalent during the test. Anhydrite accumulated at some distance from the heater, whereas gypsum was dissolved in the peripheral parts of the buffer where water was supplied; ii) cristobalite was dissolved at the bentonite/heater contact; iii) calcite was dissolved in the warmest parts of the block; iv

Biosorption of Zn(II) by chemically modified biomass of corncob

International Nuclear Information System (INIS)

Zafar, H.; Nadeem, R.; Iqbal, T.; Ansari, T.M.

2011-01-01

In conducted research corncob powder was pretreated with inorganic acids and bases. The consequence of different parameters such as initial metal concentration, pH and contact time on Zn(II) bio sorption from aqueous solution was deliberated. The order of maximum Zn(II) uptake q/sub max/ (mgg/sup -1/) for different pretreated and raw corncob powder was Ba(OH)/sub 2/ (128.9)> H/sub 3/PO/sub 4/ (124.07)> NaOH (118.737)> H/sub 2/SO/sub 4/ (114.8)> HCl (93.41)> Al(OH)/sup 3/ (87.9)> Native (86.74). The percentage of Zn(II) removed on corncob biomass increased with increase in pH reaching a maximum at pH 5.5. Kinetics of Zn(II) bio sorption described that Zn(II) sorption rate was high in first 15-30 minutes and equilibrium was established after 120 minutes. The maximum adsorption data of native and pretreated biomass was investigated using Langmuir, Freundlich equilibrium and Pseudo first and second order kinetic models. It was accomplished that structural modifications onto corncob powder lead to the formation of novel bio masses with increased sorption efficiency and environmental stability for the abatement of Zn(II). Thus, optimization of bio sorption parameters, chemical pretreatments of bio sorbents and study of mechanisms are the main keys to transfer the bio sorption process from Lab to Industry. (author)

Chemical and mineralogical characterization and ceramic suitability ...

African Journals Online (AJOL)

The chemical and mineralogical characterization of raw feldspathic materials from Dschang (Cameroon) was realized by means of X-ray diffraction, differential thermal analyses, optical and scanning electron microscopies, and analytical techniques. It was found that these materials consist of albite (43 ± 3 wt.%), microcline ...

Ultrasonic-assisted chemical reduction synthesis and structural characterization of copper nanoparticles

Science.gov (United States)

Anh-Nga, Nguyen T.; Tuan-Anh, Nguyen; Thanh-Quoc, Nguyen; Ha, Do Tuong

2018-04-01

Copper nanoparticles, due to their special properties, small dimensions and low-cost preparation, have many potential applications such as in optical, electronics, catalysis, sensors, antibacterial agents. In this study, copper nanoparticles were synthesized by chemical reduction method with different conditions in order to investigate the optimum conditions which gave the smallest (particle diameter) dimensions. The synthesis step used copper (II) acetate salt as precursor, ascorbic acid as reducing agent, glycerin and polyvinylpyrrolidone (PVP) as protector and stabilizer. The assistance of ultrasonic was were considered as the significant factor affecting the size of the synthesized particles. The results showed that the copper nanoparticles have been successfully synthesized with the diameter as small as 20-40 nm and the conditions of ultrasonic waves were 48 kHz of frequency, 20 minutes of treated time and 65-70 °C of temperature. The synthesized copper nanoparticles were characterized by optical absorption spectrum, scanning electron microscopy (SEM), and Fourier Transform Infrared Spectrometry.

Synthesis, characterization and study of the magnetic properties of a coordination polymer containing cobalt(II) and copper(II); Sintese, caracterizacao e estudo das propriedades magneticas de um polimero de coordenacao contendo cobalto(II) e cobre(II)

Energy Technology Data Exchange (ETDEWEB)

Cunha, Tamyris T. da; Stumpf, Humberto O.; Pereira, Cynthia L.M., E-mail: cynthialopes@ufmg.br [Departamento de Quimica, Instituto de Ciencias Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, MG (Brazil); Pires, Heber S.; Oliveira, Luiz F.C. de [Departamento de Quimica, Instituto de Ciencias Exatas, Universidade Federal de Juiz de Fora, MG (Brazil); Pedroso, Emerson F. [Departamento de Quimica, Centro Federal de Educacao Tecnologica de Minas Gerais, Belo Horizonte, MG (Brazil); Nunes, Wallace C. [Instituto de Fisica, Universidade Federal Fluminense, Niteroi, RJ (Brazil)

2012-07-01

This work describes the synthesis and characterization of two new compounds with ligand opy (N-(2-pyridyl)oxamate): the copper(II) precursor [Me{sub 4}N]{sub 2}[Cu(opy){sub 2}].5H{sub 2}O and Co{sup II} Cu{sup II} coordination polymer {l_brace}[Co Cu(opy){sub 2}]{r_brace}{sub n}x4nH{sub 2}O. This latter compound was obtained by reaction of [Me{sub 4}N]{sub 2}[Cu(opy){sub 2}].5H{sub 2}O and CoCl{sub 2}.6H{sub 2}O in water. The heterobimetallic Co{sup II} Cu{sup II} chain was characterized by elemental analysis, IR spectroscopy, thermogravimetry and magnetic measurements. Magnetic characterization revealed typical behavior of one-dimensional (1D) ferrimagnetic chain as shown in the curves of temperature (T) dependence of magnetic susceptibility ({chi}{sub M}), in the form of {chi}{sub M}T versus T, and dependence of magnetization (M) with applied field (H). (author)

Chemical characterization of materials relevant to nuclear technology using neutron and proton based nuclear analytical methods

International Nuclear Information System (INIS)

Acharya, R.

2014-01-01

Nuclear analytical techniques (NATs), utilizing neutron and proton based nuclear reactions and subsequent measurement of gamma rays, are capable of chemical characterization of various materials at major to trace concentration levels. The present article deals with the recent developments and applications of conventional and k0-based internal monostandard (i) neutron activation analysis (NAA) and (ii) prompt gamma ray NAA (PGNAA) methods as well as (iii) in situ current normalized particle induced gamma ray emission (PIGE). The materials that have been analyzed by NAA and PGNAA include (i) nuclear reactor structural materials like zircaloys, stainless steels, Ni alloys, high purity aluminium and graphite and (ii) uranium oxide, U-Th mixed oxides, uranium ores and minerals. Internal monostandard NAA (IM-NAA) method with in situ detection efficiency was used to analyze large and non-standard geometry samples and standard-less compositional characterization was carried out for zircaloys and stainless steels. PIGE methods using proton beams were standardized for quantification of low Z elements (Li to Ti) and applied for compositional analysis of borosilicate glass and lithium titanate (Li 2 TiO 3 ) samples and quantification of total B and its isotopic composition of B ( 10 B/ 11 B) in boron based neutron absorbers like B 4 C. (author)

Characterization of optical systems for the ALPS II experiment

International Nuclear Information System (INIS)

Spector, Aaron D.; Baehre, Robin; Willke, Benno; Hannover Univ.

2016-09-01

ALPS II is a light shining through a wall style experiment that will use the principle of resonant enhancement to boost the conversion and reconversion probabilities of photons to relativistic WISPs. This will require the use of long baseline low-loss optical cavities. Very high power build up factors in the cavities must be achieved in order to reach the design sensitivity of ALPS II. This necessitates a number of different sophisticated optical and control systems to maintain the resonance and ensure maximal coupling between the laser and the cavity. In this paper we report on the results of the characterization of these optical systems with a 20m cavity and discuss the results in the context of ALPS II.

Synthesis and characterization of polyacrylamide zirconium (IV iodate ion-exchanger: Its application for selective removal of lead (II from wastewater

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Nafisur Rahman

2017-05-01

Full Text Available Polyacrylamide zirconium (IV iodate was synthesized using the sol–gel technique. The synthesis conditions such as reactant concentrations and temperature were changed to optimize the ion exchange properties of the hybrid organic–inorganic ion exchange material. Zirconium oxychloride (0.1 M was added to 0.1 M potassium iodate in the presence of 0.4 M acrylamide and heated at 70 °C for 6 h to yield the polyacrylamide zirconium (IV iodate with maximum capacity. The ion exchange capacity was found to be 3.27 meq/g for Pb(II. The hybrid material has been characterized on the basis of chemical composition FTIR, XRD, TGA-DTA, SEM and EDX studies. Sorption studies showed that the hybrid cation exchanger has a high selectivity to Pb(II in comparison to other metal ions. Its selectivity was evaluated by performing some important binary separations like Hg(II–Pb(II, Cu(II–Pb(II, Ni(II–Pb(II, Fe(III–Pb(II and Cd(II–Pb(II. In addition, the selective separation of Pb(II was also achieved from a synthetic mixture containing a large number of metal ions with a recovery of ∼98.5%. The proposed method was successfully applied for the selective removal of Pb(II from wastewater samples.

Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine

Science.gov (United States)

Mohamed, Gehad G.; El-Gamel, Nadia E. A.

2004-11-01

The ternary piroxicam (Pir; 4-hydroxy-2-methyl- N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA cheletes were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

Synthesis, characterization and biological studies of 2-(4-nitrophenylamino-carbonyl)benzoic acid and its complexes with Cr(III), Co(II), Ni(II), Cu(II) and Zn(II)

International Nuclear Information System (INIS)

Imran, M; Nazir, S.; Latif, S.; Mahmood, Z.

2010-01-01

Cr(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of 2-(4-Nitrophenyl aminocarbonyl)benzoic acid were synthesized and characterized on the basis of physical, analytical and spectroscopic data. The ligands, as well as its metal complexes were checked for their in-vitro antimicrobial activity against three bacterial strains, Mycobacterium smegmatis, Escherichia coli, Pseudomonas aeuroginosa, and three fungal strains, Nigrospora oryzae, Aspergillus niger and Candida albicans. Disc diffusion method and Tube diffusion test were used for antibacterial and antifungal activities, respectively. The synthesized complexes only show significant antifungal activity but inactive for antibacterial, however, in general, the metal complexes were found to be more active against antimicrobial activities as compared to their un complexed ligand. (author)

Removal of Zn(II) and Hg(II) from aqueous solution on a carbonaceous sorbent chemically prepared from rice husk

International Nuclear Information System (INIS)

El-Shafey, E.I.

2010-01-01

A carbonaceous sorbent was prepared from rice husk via sulfuric acid treatment. Sorption of Zn(II) and Hg(II) from aqueous solution was studied varying time, pH, metal concentration, temperature and sorbent status (wet and dry). Zn(II) sorption was found fast reaching equilibrium within ∼2 h while Hg(II) sorption was slow reaching equilibrium within ∼120 h with better performance for the wet sorbent than for the dry. Kinetics data for both metals were found to follow pseudo-second order model. Sorption rate of both metals was enhanced with temperature rise. Activation energy, E a , for Zn(II) sorption, was ∼13.0 kJ/mol indicating a diffusion-controlled process ion exchange process, however, for Hg(II) sorption, E a was ∼54 kJ/mol indicating a chemically controlled process. Sorption of both metals was low at low pH and increased with pH increase. Sorption was much higher for Hg(II) than for Zn(II) with higher uptake for both metals by rising the temperature. Hg(II) was reduced to Hg(I) on the sorbent surface. This was confirmed from the identification of Hg 2 Cl 2 deposits on the sorbent surface by scanning electron microscopy and X-ray diffraction. However, no redox processes were observed in Zn(II) sorption. Sorption mechanism is discussed.

Synthesis, characterization and electrochemical investigations of mixed-ligand copper(II)-organic supramolecular frameworks

Science.gov (United States)

Singh, Sandeep K.; Srivastava, Ashish Kumar; Srivastava, Krishna; Banerjee, Rahul; Prasad, Jagdish

2017-11-01

Two mixed-ligand copper(II)-organic coordination compounds with 5,5‧-dimethyl-2,2‧-bipyridine (5,5‧-Me2bpy) as a primary ligand while aliphatic malonate (Hmal) and aromatic 2-hydroxynicotinate (2-OHNA) as secondary ligands, were synthesized. These complexes are formulated as: [Cu(Hmal)(5,5‧-Me2bpy)(H2O)](ClO4) 1 and [Cu2(2-OHNA)2(5,5‧-Me2bpy)2(NO3)](NO3) 2. These two complexes were structurally characterized by single crystal X-ray diffraction analysis. Characterization was further supported by powder X-ray diffraction analysis, elemental analyses, FT-IR, FAB-MASS and TGA, DSC studies. Cyclic voltammetric and UV-visible spectral studies of these two complexes have also been done. The electrochemical studies of complex 1 in DMSO and DMF have shown that this complex undergoes quasi-reversible diffusion-controlled one-electron transfer reaction without any chemical complication while complex 2 in DMSO undergoes quasi-reversible diffusion-controlled one electron transfer reaction, following EC mechanism. The electrochemical behaviour of complex 2 in DMF is complicated probably due to presence of more than one species in solution phase.

Mineralogical and chemical characterization of various bentonite and smectite-rich clay materials Part A: Comparison and development of mineralogical characterization methods Part B: Mineralogical and chemical characterization of clay materials

International Nuclear Information System (INIS)

Kumpulainen, S.; Kiviranta, L.

2010-06-01

Mineralogy is an essential issue in understanding thermo-hydro-mechanical-chemical (THMC) behavior of bentonite materials. Mineralogy affects, among others, chemical composition of pore water, susceptibility for erosion, and transport of radionuclides. Consequently, mineralogy affects the designs of the buffer and backfill components. The objective of this work was to implement and develop mineralogical and chemical methods for characterization of reference clays considered for use as buffer and backfill materials in nuclear waste disposal. In this work, different methods were tested, compared, developed, and best available techniques selected. An additional aim was to characterize reference materials that are used in various nuclear waste disposal supporting studies, e.g., the SKB's alternative buffer material (ABM) experiment. Materials studied included three Wyoming-bentonites, two bentonites from Milos, four bentonites from Kutch district, and two Friedland clays. Minerals were identified using x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and polarizing microscopy. Mineralogical composition was estimated using Rietveld-analysis. Chemical methods were used to support and validate mineralogical interpretation. Total chemical composition was determined from decomposed samples using spectrometry (ICP-AES) and combustion (Leco-S, Leco-C). Ferric and ferrous iron species were distinguished titrimetrically and the amount of soluble sulphate was determined using ion chromatography. In addition, cation exchange capacity and original exchangeable cations were determined. Chemical composition of fine (<2 μ m) fractions and poorly crystalline Fe-, Al- and Si-phases determined by selective extractions were used in structural calculations of smectite. XRD is a basic method for all mineralogical characterization, but it is insensitive for detecting trace minerals and variations in the structural chemical composition of clay minerals. Polarizing

Air pollutant concentrations near three Texas roadways, part II: Chemical characterization and transformation of pollutants

Science.gov (United States)

Clements, Andrea L.; Jia, Yuling; Denbleyker, Allison; McDonald-Buller, Elena; Fraser, Matthew P.; Allen, David T.; Collins, Donald R.; Michel, Edward; Pudota, Jayanth; Sullivan, David; Zhu, Yifang

Spatial gradients of vehicular emitted air pollutants were measured in the vicinity of three roadways in the Austin, Texas area: (1) State Highway 71 (SH-71), a heavily traveled arterial highway dominated by passenger vehicles; (2) Interstate 35 (I-35), a limited access highway north of Austin in Georgetown; and (3) Farm to Market Road 973 (FM-973), a heavily traveled surface roadway with significant truck traffic. A mobile monitoring platform was used to characterize the gradients of CO and NO x concentrations with increased distance from each roadway, while concentrations of carbonyls in the gas-phase and fine particulate matter mass and composition were measured at stationary sites upwind and at one (I-35 and FM-973) or two (SH-71) downwind sites. Regardless of roadway type or wind direction, concentrations of carbon monoxide (CO), nitric oxide (NO), and oxides of nitrogen (NO x) returned to background levels within a few hundred meters of the roadway. Under perpendicular wind conditions, CO, NO and NO x concentrations decreased exponentially with increasing distance perpendicular to the roadways. The decay rate for NO was more than a factor of two greater than for CO, and it comprised a larger fraction of NO x closer to the roadways than further downwind suggesting the potential significance of near roadway chemical processing as well as atmospheric dilution. Concentrations of most carbonyl species decreased with distance downwind of SH-71. However, concentrations of acetaldehyde and acrolein increased farther downwind of SH-71, suggesting chemical generation from the oxidation of primary vehicular emissions. The behavior of particle-bound organic species was complex and further investigation of the size-segregated chemical composition of particulate matter (PM) at increasing downwind distances from roadways is warranted. Fine particulate matter (PM 2.5) mass concentrations, polycyclic aromatic hydrocarbons (PAHs), hopanes, and elemental carbon (EC

Hanford enhanced waste glass characterization. Influence of composition on chemical durability

International Nuclear Information System (INIS)

Fox, K. M.; Edwards, T. B.

2016-01-01

This report provides a review of the complete high-level waste (HLW) and low-activity waste (LAW) data sets for the glasses recently fabricated at Pacific Northwest National Laboratory and characterized at Savannah River National Laboratory (SRNL). The review is from the perspective of relating the chemical durability performance to the compositions of these study glasses, since the characterization work at SRNL focused on chemical analysis and ASTM Product Consistency Test (PCT) performance.

Comparison of adsorption of Cd(II and Pb(II ions on pure and chemically modified fly ashes

Directory of Open Access Journals (Sweden)

Sočo Eleonora

2016-06-01

Full Text Available The study investigates chemical modifications of coal fly ash (FA treated with HCl or NH4HCO3 or NaOH or Na2edta, based on the research conducted to examine the behaviour of Cd(II and Pb(II ions adsorbed from water solution on treated fly ash. In laboratory tests, the equilibrium and kinetics were examined applying various temperatures (293 - 333 K and pH (2 - 11 values. The maximum Cd(II and Pb(II ions adsorption capacity obtained at 293 K, pH 9 and mixing time 2 h from the Langmuir model can be grouped in the following order: FA-NaOH > FA-NH4HCO3 > FA > FA-Na2edta > FA-HCl. The morphology of fly ash grains was examined via small-angle X-ray scattering (SAXS and images of scanning electron microscope (SEM. The adsorption kinetics data were well fitted by a pseudo-second-order rate model but showed a very poor fit for the pseudofirst order model. The intra-particle model also revealed that there are two separate stages in the sorption process, i.e. the external diffusion and the inter-particle diffusion. Thermodynamics parameters such as free energy, enthalpy and entropy were also determined. A laboratory test demonstrated that the modified coal fly ash worked well for the Cd(II and Pb(II ion uptake from polluted waters.

Chemical evolution of two-component galaxies. II

International Nuclear Information System (INIS)

Caimmi, R.

1978-01-01

In order to confirm and refine the results obtained in a previous paper the chemical evolution of two-component (spheroid + disk) galaxies is derived rejecting the instantaneous recycling approximation, by means of numerical computations, accounting for (i) the collapse phase of the gas, assumed to be uniform in density and composition, and (ii) a birth-rate stellar function. Computations are performed relatively to the solar neighbourhood and to model galaxies which closely resemble the real morphological sequence: in both cases, numerical results are compared with analytical ones. The numerical models of this paper constitute a first-order approximation, while higher order approximations could be made by rejecting the hypothesis of uniform density and composition, and making use of detailed dynamical models. (Auth.)

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

The chemical reaction of PtII(L1)Cl2 [L1 = 2-(phenylazo)pyridine] with a bidentate N,S-donor atom ligand, 2-phenylthioaniline, (HL2) in alkaline acetonitrile yielded a mixed ligand donor acceptor complex, [PtII(L1)(L2)−]Cl, [1]Cl. The complex has been characterized by using a host of physical methods: X-ray crystallography, ...

Metalorganic chemical vapor deposition and characterization of ZnO materials

Science.gov (United States)

Sun, Shangzu; Tompa, Gary S.; Hoerman, Brent; Look, David C.; Claflin, Bruce B.; Rice, Catherine E.; Masaun, Puneet

2006-04-01

Zinc oxide is attracting growing interest for potential applications in electronics, optoelectronics, photonics, and chemical and biochemical sensing, among other applications. We report herein our efforts in the growth and characterization of p- and n-type ZnO materials by metalorganic chemical vapor deposition (MOCVD), focusing on recent nitrogen-doped films grown using diethyl zinc as the zinc precursor and nitric oxide (NO) as the dopant. Characterization results, including resistivity, Hall measurements, photoluminescence, and SIMS, are reported and discussed. Electrical behavior was observed to be dependent on illumination, atmosphere, and heat treatment, especially for p-type material.

X-Ray Photoelectron Spectroscopic Characterization of Chemically Modified Electrodes Used as Chemical Sensors and Biosensors: A Review

Directory of Open Access Journals (Sweden)

Elio Desimoni

2015-04-01

Full Text Available The characterization of chemically modified sensors and biosensors is commonly performed by cyclic voltammetry and electron microscopies, which allow verifying electrode mechanisms and surface morphologies. Among other techniques, X-ray photoelectron spectroscopy (XPS plays a unique role in giving access to qualitative, quantitative/semi-quantitative and speciation information concerning the sensor surface. Nevertheless, XPS remains rather underused in this field. The aim of this paper is to review selected articles which evidence the useful performances of XPS in characterizing the top surface layers of chemically modified sensors and biosensors. A concise introduction to X-ray Photoelectron Spectroscopy gives to the reader the essential background. The application of XPS for characterizing sensors suitable for food and environmental analysis is highlighted.

Copper(II) and palladium(II) complexes with tridentate NSO donor Schiff base ligand: Synthesis, characterization and structures

Science.gov (United States)

Kumar, Sujit Baran; Solanki, Ankita; Kundu, Suman

2017-09-01

Mononuclear copper(II) complex [CuL2] and palladium(II) complexes [Pd(X)L] where X = benzoate(bz) or salicylate(sal) and HL = 2-(methylthio)phenylimino)methyl)phenol, a Schiff base ligand with NSO coordination sites have been synthesized and characterized by microanalyses, IR, UV-Visible spectra, conductivity measurement and magnetic studies. Crystal structures of all the complexes have been solved by single crystal X-ray diffraction studies and showed that there are two molecules in a unit cell in the [CuL2] complex - one molecule has square planar geometry whereas second molecule has distorted square pyramidal geometry and palladium(II) complexes have distorted square planar geometry.

Towards consensus in comparative chemical characterization modeling for LCIA

DEFF Research Database (Denmark)

Hauschild, Michael Zwicky; Bachmann, Till; Huijbregts, Mark

2006-01-01

work within, for instance, the OECD, and guidance from a series of expert workshops held between 2002 and 2005, preliminary guidelines focusing on chemical fate, and human and ecotoxic effects were established. For further elaboration of the fate-, exposure- and effect-sides of the modeling, six models...... by the Task Force and the model providers. While the compared models and their differences are important tools to further advance LCA science, the consensus model is intended to provide a generally agreed and scientifically sound method to calculate consistent characterization factors for use in LCA practice...... and to be the basis of the “recommended practice” for calculation of characterization factors for chemicals under authority of the UNEP/SETAC Life Cycle Initiative....

Chemical characterization of nuclear materials: recent trends

International Nuclear Information System (INIS)

Prakash, Amrit; Nandi, C.; Patil, A.B.; Khan, K.B.

2013-01-01

Analytical chemistry plays a very important role for nuclear fuel activities be it fuel fabrication, waste management or reprocessing. Nuclear fuels are selected based on the type of reactor. The nuclear fuel has to conform to stringent chemical specifications like boron, cadmium, rare earths, hydrogen, oxygen to metal ratio, total gas, heavy metal content, chlorine and fluorine etc. Selection of technique is very important to evaluate the true specification. This is important particularly when the analyses have to perform inside leak tight enclosure. The present paper describes the details of advanced analytical techniques being developed and used in chemical characterization of nuclear materials specially fuels during their fabrication. Nuclear fuels comprise of fuels based on UO 2 , PUO 2 , ThO 2 and combination of (U+Pu)O 2 , (Th+U)O 2 , (Th+Pu)O 2 , (U+Pu)C, (U+Pu)N etc depending on the type of reactors chosen Viz. Pressurized Heavy water Reactor (PHWR), Boiling Water Reactor (BWR), Fast Breeder Test Reactor and Prototype Fast Breeder Reactor (PFBR). Chemical characterization of these fuels is very important for performance of fuel in the reactor. It provides means to ascertain that the quality of the fabricated fuel conforms to the chemical specifications for the fuel laid down by the designer. The batches of sintered/degassed pellets are subjected to comprehensive chemical quality control for trace constituents, stoichiometry and isotopic composition. Chemical Quality Control of fuel is carried out at different stages of manufacture namely feed materials, sintering, vacuum degassing and fuel element welding. Advanced analytical technique based on titrimetry, spectroscopy, thermogravimetry, XRF and XRD have largely been used for this purpose. Since they have to be handled inside special enclosures, extreme care are being taken during handling. Instruments are being developed/modified for ease of handling and maintenance. The method should be fast to reduce

Mn(II), Zn(II) and VO(II) Schiff

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 113; Issue 3. Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II) Schiff base complexes derived from o-phenylenediamine and acetoacetanilide. N Raman Y Pitchaikani Raja A Kulandaisamy. Inorganic Volume 113 Issue 3 June 2001 pp 183-189 ...

Molecular and supramolecular characterization of Ni(II)/losartan hydrophobic nanoprecipitate

Science.gov (United States)

Nascimento, Lorrayne O.; Goulart, Pedro P.; Correa, Jéssyca L.; Abrishamkar, Afshin; Da Silva, Jeferson G.; Mangrich, Antonio S.; de França, Amanda A.; Denadai, Ângelo M. L.

2014-09-01

In this work, a contribution to understanding of the formation of metal(II)/losartan hydrophobic nanoprecipitate is reported. A Ni(II)/Los system was prepared and characterized in solid state and in solution. Solubility studies confirmed the formation of hydrophobic precipitate. Obtained spectroscopic data suggest a sort of coordination between tetrazolic ring as well as OH, and a D4h geometry around the nickel cation. Thermodynamic studies demonstrated that complexation is a stepwise process, with equal enthalpic and entropic contributions for free energy of complexation. DLS and zeta potential titrations indicate the formation of stable nanoparticles of size and charge dependent on the molar ratio. Finally, rheological studies demonstrate a Bingham plastic behavior for Ni(II)/Los suspension.

Synthesis, spectral characterization thermal stability, antimicrobial studies and biodegradation of starch–thiourea based biodegradable polymeric ligand and its coordination complexes with [Mn(II, Co(II, Ni(II, Cu(II, and Zn(II] metals

Directory of Open Access Journals (Sweden)

Nahid Nishat

2016-09-01

Full Text Available A biodegradable polymer was synthesized by the modification reaction of polymeric starch with thiourea which is further modified by transition metals, Mn(II, Co(II, Ni(II, Cu(II and Zn(II. All the polymeric compounds were characterized by (FT-IR spectroscopy, 1H NMR spectroscopy, 13C NMR spectroscopy, UV–visible spectra, magnetic moment measurements, thermogravimetric analysis (TGA and antibacterial activities. Polymer complexes of Mn(II, Co(II and Ni(II show octahedral geometry, while polymer complexes of Cu(II and Zn(II show square planar and tetrahedral geometry, respectively. The TGA revealed that all the polymer metal complexes are more thermally stable than their parental ligand. In addition, biodegradable studies of all the polymeric compounds were also carried out through ASTM-D-5338-93 standards of biodegradable polymers by CO2 evolution method which says that coordination decreases biodegradability. The antibacterial activity was screened with the agar well diffusion method against some selected microorganisms. Among all the complexes, the antibacterial activity of the Cu(II polymer–metal complex showed the highest zone of inhibition because of its higher stability constant.

Synthesis, NMR characterization, X-ray crystal structure of Co(II) Ni(II) and Cu(II) complexes of a pyridine containing self-assembling

International Nuclear Information System (INIS)

Ranjbar, M.; Taghavipour, M.; Moghimi, A.; Aghabozorg, H.

2002-01-01

In the recent years, the self-assembling systems have been attracted chemists. The intermolecular bond in such systems mainly consists of ion pairing and hydrogen bonding [1,2]. The reaction between self-assembling system liquid LH 2 (py dc=2,6-pyridinedicarboxylic acid and py da=2,6- pyridine diamin) with cobalt (II) nitrate, nickel (II) chloride, and copper (II) acetate in water leads to the formation of self- assemble coordination complexes, [py da.H] 2 [M(py dc) 2 ]. H 2 O, M=Co(II),Ni(II), and Cu(II). The characterization was performed using elemental analysis, ESI mass spectroscopy, 1 H and 13 C NMR and X-ray crystallography. The crystal systems are monoclinic with space group P2 1 /n and four molecules per unit cell. These complexes shows 13 C NMR resonances of cationic counter ion [(py dc,H)] + in DMSO- d 6 but no signal corresponding to the two coordinated ligands [py dc] 2- The metal atoms are six-coordinated with a distorted octahedral geometry. The two [py de] 2- units are almost perpendicular to each other

Characterization of EPICOR II Prefilter Liner 3

International Nuclear Information System (INIS)

Wynhoff, N.L.; Pasupathi, V.

1983-04-01

As part of the overall TMI-2 Information and Examination Program, EPICOR II Prefilter Liner 3 was examined to provide information to aid in the development of technology for safely processing highly loaded ion-exchange media. The characterization program included sampling and analyses of the liner contents, including ion-exchange media, liquids and gases, as well as examinations of the liner interior and exterior. This report details the handling of the liner, sampling and analysis of the contents, and the examinations of the liner

Characterization of EPICOR II Prefilter Liner 16

International Nuclear Information System (INIS)

Yesso, J.D.; Pasupathi, V.; Lowry, L.

1982-08-01

As part of the overall TMI-2 Information and Examination Program, EPICOR II Prefilter Liner 16 was examined to provide information to aid in the development of technology for safely processing highly loaded ion-exchange media. The characterization program included sampling and analyses of the liner contents, including ion-exchange media, liquids and gases, as well as examinations of the liner interior and exterior. This report details the handling of the liner, sampling and analysis of the contents, and the examinations of the liner

Chemicals Industry New Process Chemistry Roadmap

Energy Technology Data Exchange (ETDEWEB)

none,

2000-08-01

The Materials Technology I workshop was held in November 1998 to address future research needs for materials technology that will support the chemical industry. Areas covered included disassembly, recovery, reuse and renewable technology; new materials; and materials measurement and characterization. The Materials Technology II workshop was held in September 1999 and covered additives, modeling and prediction and an additional segment on new materials. Materials Technology Institute (MTI) for the Chemical Process Industries, Inc. and Air Products & Chemicals lead the workshops. The Materials Technology Roadmap presents the results from both workshops.

CHARACTERIZATION OF SORBENT PRODUCED THROUGH IMMOBILIZATION OF HUMIC ACID ON CHITOSAN USING GLUTARALDEHYDE AS CROSS-LINKING AGENT AND Pb(II ION AS ACTIVE SITE PROTECTOR

Directory of Open Access Journals (Sweden)

Uripto Trisno Santoso

2010-12-01

Full Text Available Sorbent produced through immobilization of humic acid (HA on chitosan using glutaraldehyde as cross-linking agent and Pb(II ions as active site protector has been characterized. Active sorption site of HA was protected by reacting HA with Pb(II ion, and the protected-HA was then activated by glutaraldehyde, crosslinked onto chitosan, and deprotected by 0.1 M disodium ethylenediamine tetra-acetic acid (Na2EDTA. The protected-crosslinking method enhanced the content of immobilized-HA and its chemical stability. Based on the FTIR spectra, crosslinking of HA on chitosan probably occurred through a chemical reaction. The sorption capacity of sorbent still remains unchanged after the second regeneration, but some of HA start to be soluble. The latter shows that cross-linking reaction between HA and chitosan is through formation an unstable product. The effectiveness of sorbent regeneration can also be identified by the XRD pattern.

New Mn(II, Ni(II, Cd(II, Pb(II complexes with 2-methylbenzimidazole and other ligands. Synthesis, spectroscopic characterization, crystal structure, magnetic susceptibility and biological activity studies

Directory of Open Access Journals (Sweden)

Shayma A. Shaker

2016-11-01

Full Text Available Synthesis and characterization of Mn(II, Ni(II, Cd(II and Pb(II mixed ligand complexes of 2-methylbenzimidazole with other ligands have been reported. The structure of the ligands and their complexes was investigated using elemental analysis, IR, UV–Vis, (1H, 13C NMR spectroscopy, molar conductivity and magnetic susceptibility measurements. In all the studies of complexes, the 2-methylbenzimidazole behaves as a neutral monodentate ligand which is coordinated with the metal ions through the N atom. While benzotriazole behaves as a neutral bidentate ligand which is coordinated with the Ni(II ion through the two N atoms. Moreover, the N-acetylglycine behaves as a bidentate ligand which is coordinated with the Mn(II, Ni(II and Pb(II ions through the N atom and the terminal carboxyl oxygen atom. The magnetic and spectral data indicate the tetrahedral geometry for Mn(II complex, irregular tetrahedral geometry for Pb(II complex and octahedral geometry for Ni(II complex. The X-ray single crystal diffraction method was used to confirm a centrosymmetric dinuclear Cd(II complex as each two metal ions are linked by a pair of thiocyanate N = S bridge. Two 2-methylbenzimidazole N-atom donors and one terminal thiocyanate N atom complete a highly distorted square pyramid geometry around the Cd atom. Besides, different cell types were used to determine the inhibitory effect of Mn(II, Ni(II, Cd(II and Pb(II complexes on cell growth using MTT assay. Cd(II complex showed cytotoxic effect on various types of cancer cell lines with different EC50 values.

Characterization of NIES CRM No. 23 Tea Leaves II for the determination of multielements.

Science.gov (United States)

Mori, Ikuko; Ukachi, Miyuki; Nagano, Kimiyo; Ito, Hiroyasu; Yoshinaga, Jun; Nishikawa, Masataka

2010-05-01

A candidate environmental certified reference material (CRM) for the determination of multielements in tea leaves and materials of similar matrix, NIES CRM No. 23 Tea Leaves II, has been developed and characterized by the National Institute for Environmental Studies (NIES), Japan. The origin of the material was tea leaves, which were ground, sieved through a 106-microm mesh, homogenized, and then subdivided into amber glass bottles. The results of homogeneity and stability tests indicated that the material was sufficiently homogeneous and stable for use as a reference material. The property values of the material were statistically determined based on chemical analyses by a network of laboratories using a wide range of methods. Sixteen laboratories participated in the characterization, and nine certified values and five reference values were obtained. These property values of the candidate CRM, which are expressed as mass fractions, were close to the median and/or mean values of the mass fractions of elements in various tea products. The candidate CRM is appropriate for use in analytical quality control and in the evaluation of methods used in the analysis of tea and materials of similar matrix.

Protocols for the analytical characterization of therapeutic monoclonal antibodies. II - Enzymatic and chemical sample preparation.

Science.gov (United States)

Bobaly, Balazs; D'Atri, Valentina; Goyon, Alexandre; Colas, Olivier; Beck, Alain; Fekete, Szabolcs; Guillarme, Davy

2017-08-15

The analytical characterization of therapeutic monoclonal antibodies and related proteins usually incorporates various sample preparation methodologies. Indeed, quantitative and qualitative information can be enhanced by simplifying the sample, thanks to the removal of sources of heterogeneity (e.g. N-glycans) and/or by decreasing the molecular size of the tested protein by enzymatic or chemical fragmentation. These approaches make the sample more suitable for chromatographic and mass spectrometric analysis. Structural elucidation and quality control (QC) analysis of biopharmaceutics are usually performed at intact, subunit and peptide levels. In this paper, general sample preparation approaches used to attain peptide, subunit and glycan level analysis are overviewed. Protocols are described to perform tryptic proteolysis, IdeS and papain digestion, reduction as well as deglycosylation by PNGase F and EndoS2 enzymes. Both historical and modern sample preparation methods were compared and evaluated using rituximab and trastuzumab, two reference therapeutic mAb products approved by Food and Drug Administration (FDA) and European Medicines Agency (EMA). The described protocols may help analysts to develop sample preparation methods in the field of therapeutic protein analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

The BEAST II Experiment at Belle II. Characterization of the commissioning detector system for SuperKEKB

Energy Technology Data Exchange (ETDEWEB)

Ahlburg, Patrick; Eyring, Andreas; Filimonov, Viacheslav; Krueger, Hans; Mari, Laura; Marinas, Carlos; Pohl, David-Leon; Wermes, Norbert; Dingfelder, Jochen [University of Bonn (Germany)

2016-07-01

Before the upgraded vertex detector for the Belle II experiment at the SuperKEKB collider in Japan will be installed, a dedicated detector system for machine commissioning (BEAST II) will be employed. One of its main objectives is to measure and characterize the different background types in order to ensure a safe environment before the installation of the actual silicon detector systems close to the interaction point. FANGS, a detector system at BEAST II, based on ATLAS-IBL front-end electronics and planar silicon sensors is currently being developed for this purpose. The unique feature of this detector system is the high energy resolution achieved by using an external FPGA clock to sample the time-over-threshold signal, while keeping the excellent timing properties. The complete detector system is presented in this talk.

Synthesis and characterization of iron(III), manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II) complexes of salicylidene-N-anilinoacetohydrazone (H2L1) and 2-hydroxy-1-naphthylidene-N-anilinoacetohydrazone (H2L2).

Science.gov (United States)

AbouEl-Enein, S A; El-Saied, F A; Kasher, T I; El-Wardany, A H

2007-07-01

Salicylidene-N-anilinoacetohydrazone (H(2)L(1)) and 2-hydroxy-1-naphthylidene-N-anilinoacetohydrazone (H(2)L(2)) and their iron(III), manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II) complexes have been synthesized and characterized by IR, electronic spectra, molar conductivities, magnetic susceptibilities and ESR. Mononuclear complexes are formed with molar ratios of 1:1, 1:2 and 1:3 (M:L). The IR studies reveal various modes of chelation. The electronic absorption spectra and magnetic susceptibility measurements show that the iron(III), nickel(II) and cobalt(II) complexes of H(2)L(1) have octahedral geometry. While the cobalt(II) complexes of H(2)L(2) were separated as tetrahedral structure. The copper(II) complexes have square planar stereochemistry. The ESR parameters of the copper(II) complexes at room temperature were calculated. The g values for copper(II) complexes proved that the Cu-O and Cu-N bonds are of high covalency.

Ni(II immobilization by bio-apatite materials: Appraisal of chemical, thermal and combined treatments

Directory of Open Access Journals (Sweden)

Šljivić-Ivanović Marija

2016-01-01

Full Text Available Animal bones are natural and rich source of calcium hydroxyapatite (HAP, which was found to be a good sorbent material for heavy metals and radionuclides. Various treatments can reduce the content of bone organic phase and improve sorption properties. In this study, sorption capacities of raw bovine bones (B and samples obtained by chemical treatment with NaOH (BNaOH, by heating at 400 oC (B400 and by combined chemical and thermal treatment (BNaOH+400, were compared, using Ni(II ions as sorbates. Maximum sorption capacities increased in the order BII sorption was found to be complex, with participation of both HAP and organic phase (when present. Sequential extraction analysis was applied for testing the stability of Ni(II ions sorbed by BNaOH+400. Majority of Ni(II was found in residual phase (65% at lower level of sorbent loading, while with the increase of sorbent saturation carbonate fraction became dominant (39 %. According to the results, BNaOH+400 can be utilized in water purification systems. As an apatite based material with low organic content and high efficiency for Ni(II sorption, it is also a good candidate for in-situ soil remediation, particularly at lower contamination levels. [Projekat Ministarstva nauke Republike Srbije, br. III 43009

Synthesis, Structural Characterization and Catalytic Activity of A Cu(II Coordination Polymer Constructed from 1,4-Phenylenediacetic Acid and 2,2’-Bipyridine

Directory of Open Access Journals (Sweden)

Wang Li-Hua

2017-04-01

Full Text Available In order to study the catalytic activity of Cu(II coordination polymer material, a novel 1D chained Cu(II coordination polymer material, [CuL(bipy(H2O5]n (A1 (H2L = 1,4-phenylenediacetic acid, bipy = 2,2’-bipyridine, has been prepared by the reaction of 1,4-phenylenediacetic acid, 2,2’-bipyridine, Cu(CH3COO2·H2O and NaOH. The composition of A1 was determined by elemental analysis, IR spectra and single crystal X-ray diffraction. The results of characterization show that each Cu(II atom adopts six-coordination and forms a distorted octahedral configuration. The catalytic activity and reusability of A1 catalyst for A3 coupling reaction of benzaldehyde, piperidine, and phenylacetylene have been investigated. And the results show that the Cu(II complex catalyst has good catalytic activity with a maximum yield of 54.3% and stability. Copyright © 2017 BCREC GROUP. All rights reserved Received: 21st October 2016; Revised: 17th November 2016; Accepted: 22nd November 2016 How to Cite: Li-Hua, W., Lei, L., Xin, W. (2017. Synthesis, Structural Characterization and Catalytic Activity of A Cu(II Coordination Polymer Constructed from 1,4-Phenylenediacetic Acid and 2,2’-Bipyridine. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (1: 113-118 (doi:10.9767/bcrec.12.1.735.113-118 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.12.1.735.113-118

Short review on chemical bath deposition of thin film and characterization

Energy Technology Data Exchange (ETDEWEB)

Mugle, Dhananjay, E-mail: dhananjayforu@gmail.com; Jadhav, Ghanshyam, E-mail: ghjadhav@rediffmail.com [Depertment of Physics, Shri Chhatrapati Shivaji College, Omerga-413606 (India)

2016-05-06

This reviews the theory of early growth of the thin film using chemical deposition methods. In particular, it critically reviews the chemical bath deposition (CBD) method for preparation of thin films. The different techniques used for characterizations of the chemically films such as X-ray diffractometer (XRD), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM), Electrical conductivity and Energy Dispersive Spectroscopy (EDS) are discussed. Survey shows the physical and chemical properties solely depend upon the time of deposition, temperature of deposition.

West Hackberry Strategic Petroleum Reserve site brine-disposal monitoring, Year I report. Volume II. Physical and chemical oceanography. Final report

Energy Technology Data Exchange (ETDEWEB)

DeRouen, L.R.; Hann, R.W.; Casserly, D.M.; Giammona, C.; Lascara, V.J. (eds.)

1983-02-01

This project centers around the Strategic Petroleum Site (SPR) known as the West Hackberry salt dome which is located in southwestern Louisiana, and which is designed to store 241 million barrels of crude oil. Oil storage caverns are formed by injecting water into salt deposits, and pumping out the resulting brine. Studies described in this report were designed as follow-on studies to three months of pre-discharge characterization work, and include data collected during the first year of brine leaching operations. The objectives were to: (1) characterize the environment in terms of physical, chemical and biological attributes; (2) determine if significant adverse changes in ecosystem productivity and stability of the biological community are occurring as a result of brine discharge; and (3) determine the magnitude of any change observed. Contents of Volume II include: introduction; physical oceanography; estuarine hydrology and hydrography; analysis of discharge plume; and water and sediment quality.

[Study on the terpenoids of chemical constituents of Buddleja purdomii (II)].

Science.gov (United States)

Gao, Yan; Cai, Li; Li, Hai-Yan; Li, Chong

2007-06-01

To study the chemical constituents of Buddleja purdomii W. W. Smith. The constituents were isolated and purified by various chromatographic methods and structurally identified by spectral analysis. 7 compounds were obtained as luteolin (I), luteolin-7-O-beta-D-glucoside (II), trans-caffeic acid (III), cis-caffeic acid (IV), beta-stiosterol (V), stigmasterol (VI), nonacosane (VII). All these compounds are obtained from this plant for the first time.

Chemical Abundances and Physical Parameters of H II Regions in the Magellanic Clouds

Science.gov (United States)

Reyes, R. E. C.

The chemical abundances and physical parameters of H II regions are important pa rameters to determine in order to understand how stars and galaxies evolve. The Magellanic Clouds offer us a unique oportunity to persue such studies in low metallicity galaxies. In this contribution we present the results of the photoionization modeling of 5 H II regions in each of the Large Magellanic Cloud (LMC) and Small Magellanic Cloud (SMC) sys tems. Optical data were collected from the literature, complemented by our own observa tions (Carlos Reyes et al. 1998), including UV spectra from the new IUE data ban k and infrared fluxes from the IRAS satellite. The chemical abundances of He, C, N, O, Ne, S, Ar and physical parameters like the densities, the ionized masses, the luminosities, the ionization temperatures , the filling factor and optical depth are determined. A comparison of the abundances of these HII regions with those of typical planetary nebulae and supergiants stars is also presented.

Synthesis and characterization of Ruthenium (II) amines with the chelating agent 4-4' dithio-pyridine occluded in Na Y zeolite

International Nuclear Information System (INIS)

Marques, Clelia Mara de Paula; Franco, Douglas Wagner; Sanches, Rosemary

1993-01-01

The aim of this work is to study the chemical behavior of metallic complexes of Ru(II) encapsulated in Na Y zeolites. We chose systems with well known chemical behaviour in solution and which present a great interest, because of the bridging ligand used (4,4-Dithiodipyridine). This ligand is the first example of the great efficiency of the S-S bridge in conducting electrons. In this work we describe the ionic exchange reactions between the Na Y zeolite and the complex ion [Ru (N H 3 ) 5 DTDP] 2+ to obtain [Ru (N H 3 ) 5 DTDP]-Y sample. The [Ru (N H 3 ) 5 ] 2 DTDP)-Y sample is prepared through the reaction between [Ru (N H 3 ) 5 H 2 O] 2+ and [Ru (N H 3 ) 5 DTDP]-Y. These sample were characterized by spectroscopic techniques. (author)

Characterization of the TRIGA Mark II reactor full-power steady state

Energy Technology Data Exchange (ETDEWEB)

Cammi, Antonio, E-mail: antonio.cammi@polimi.it [Politecnico di Milano – Department of Energy, CeSNEF (Enrico Fermi Center for Nuclear Studies), via La Masa 34, 20156 Milano (Italy); Zanetti, Matteo [Politecnico di Milano – Department of Energy, CeSNEF (Enrico Fermi Center for Nuclear Studies), via La Masa 34, 20156 Milano (Italy); Chiesa, Davide; Clemenza, Massimiliano; Pozzi, Stefano; Previtali, Ezio; Sisti, Monica [University of Milano-Bicocca, Physics Department “G. Occhialini” and INFN Section, Piazza dell’Ateneo Nuovo, 20126 Milan (Italy); Magrotti, Giovanni; Prata, Michele; Salvini, Andrea [University of Pavia, Applied Nuclear Energy Laboratory (L.E.N.A.), Via Gaspare Aselli 41, 27100 Pavia (Italy)

2016-04-15

Highlights: • Full-power steady state characterization of the TRIGA Mark II reactor. • Monte Carlo and Multiphysics simulation of the TRIGA Mark II reactor. • Sub-cooled boiling effects in the TRIGA Mark II reactor. • Thermal feedback effects in the TRIGA Mark II reactor. • Experimental data based validation. - Abstract: In this paper, the characterization of the full-power steady state of the TRIGA Mark II nuclear reactor at the University of Pavia is achieved by coupling the Monte Carlo (MC) simulation for neutronics with the “Multiphysics” model for thermal-hydraulics. Neutronic analyses have been carried out with a MCNP5 based MC model of the entire reactor system, already validated in fresh fuel and zero-power configurations (in which thermal effects are negligible) and using all available experimental data as a benchmark. In order to describe the full-power reactor configuration, the temperature distribution in the core must be established. To evaluate this, a thermal-hydraulic model has been developed, using the power distribution results from the MC simulation as input. The thermal-hydraulic model is focused on the core active region and takes into account sub-cooled boiling effects present at full reactor power. The obtained temperature distribution is then entered into the MC model and a benchmark analysis is carried out to validate the model in fresh fuel and full-power configurations. An acceptable correspondence between experimental data and simulation results concerning full-power reactor criticality proves the reliability of the adopted methodology of analysis, both from the perspective of neutronics and thermal-hydraulics.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Diabatic potential energy surfaces of H + CO .... to locate the minimum energy conformation using quantum chemical theory. ... Effect of electrostatic interactions on the formation of proton transfer pathways in human carbonic anhydrase II ... In silico characterization of antifreeze proteins using computational tools and servers.

Synthesis and characterization of nickel(II), cobalt(II), copper(II), manganese(II), zinc(II), zirconium(IV), dioxouranium(VI) and dioxomolybdenum(VI) complexes of a new Schiff base derived from salicylaldehyde and 5-methylpyrazole-3-carbohydrazide

International Nuclear Information System (INIS)

Syamal, A.; Maurya, M.R.

1986-01-01

Synthesis of a new Schiff base derived from salicylaldehyde and 5-methylpyrazole-3-carbohydrazide, and its coordination compounds with nickel(II), cobalt(II), copper(II), manganese(II), zinc(II), zirconium(IV), dioxouranium(VI) and dioxomolybdenum(VI) are described. The ligand and the complexes have been characterized on the basis of analytical, conductance, molecular weight, i.r., electronic and n.m.r. spectra and magnetic susceptibility measurements. The stoichiometries of the complexes are represented as NiL . 3H 2 O, CoL . 2H 2 O, CuL, MnL . 2H 2 O, ZnL . H 2 O, Zr(OH) 2 (LH) 2 , Zr(OH) 2 L . 2MeOH, UO 2 L . MeOH and MoO 2 L . MeOH (where LH 2 =Schiff base). The copper(II) complex shows a subnormal magnetic moment due to antiferromagnetic exchange interaction while the nickel(II), cobalt(II) and manganese(II) complexes show normal magnetic moments at room temperature. The i.r. and n.m.r. spectral studies show that the Schiff base behaves as a dibasic and tridentate ligand coordinating through the deprotonated phenolic oxygen, enolic oxygen and azomethine nitrogen. (orig.)

Synthesis, characterization and behaviour of trans-bis (argininate) copper (II) to gamma radiation

International Nuclear Information System (INIS)

Pereira, A.B.

1984-01-01

The synthesis, the characterization and the behaviour to gamma radiation of trans-bis (argininate) copper (II) are presented. The synthesis is made from copper sulfate, sodium hydroxide and hydrochloride of L (+) arginine, in aqueous medium, and the characterization by infrared spectroscopy, visible and ultraviolet spectroscopy and elementary analysis. (C.G.C.)

Characterization of heterocyclic rings through quantum chemical topology.

Science.gov (United States)

Griffiths, Mark Z; Popelier, Paul L A

2013-07-22

Five-membered rings are found in a myriad of molecules important in a wide range of areas such as catalysis, nutrition, and drug and agrochemical design. Systematic insight into their largely unexplored chemical space benefits from first principle calculations presented here. This study comprehensively investigates a grand total of 764 different rings, all geometry optimized at the B3LYP/6-311+G(2d,p) level, from the perspective of Quantum Chemical Topology (QCT). For the first time, a 3D space of local topological properties was introduced, in order to characterize rings compactly. This space is called RCP space, after the so-called ring critical point. This space is analogous to BCP space, named after the bond critical point, which compactly and successfully characterizes a chemical bond. The relative positions of the rings in RCP space are determined by the nature of the ring scaffold, such as the heteroatoms within the ring or the number of π-bonds. The summed atomic QCT charges of the five ring atoms revealed five features (number and type of heteroatom, number of π-bonds, substituent and substitution site) that dictate a ring's net charge. Each feature independently contributes toward a ring's net charge. Each substituent has its own distinct and systematic effect on the ring's net charge, irrespective of the ring scaffold. Therefore, this work proves the possibility of designing a ring with specific properties by fine-tuning it through manipulation of these five features.

Multi-metals column adsorption of lead(II), cadmium(II) and manganese(II) onto natural bentonite clay.

Science.gov (United States)

Alexander, Jock Asanja; Surajudeen, Abdulsalam; Aliyu, El-Nafaty Usman; Omeiza, Aroke Umar; Zaini, Muhammad Abbas Ahmad

2017-10-01

The present work was aimed at evaluating the multi-metals column adsorption of lead(II), cadmium(II) and manganese(II) ions onto natural bentonite. The bentonite clay adsorbent was characterized for physical and chemical properties using X-ray diffraction, X-ray fluorescence, Brunauer-Emmett-Teller surface area and cation exchange capacity. The column performance was evaluated using adsorbent bed height of 5.0 cm, with varying influent concentrations (10 mg/L and 50 mg/L) and flow rates (1.4 mL/min and 2.4 mL/min). The result shows that the breakthrough time for all metal ions ranged from 50 to 480 minutes. The maximum adsorption capacity was obtained at initial concentration of 10 mg/L and flow rate of 1.4 mL/min, with 2.22 mg/g of lead(II), 1.71 mg/g of cadmium(II) and 0.37 mg/g of manganese(II). The order of metal ions removal by natural bentonite is lead(II) > cadmium(II) > manganese(II). The sorption performance and the dynamic behaviour of the column were predicted using Adams-Bohart, Thomas, and Yoon-Nelson models. The linear regression analysis demonstrated that the Thomas and Yoon-Nelson models fitted well with the column adsorption data for all metal ions. The natural bentonite was effective for the treatment of wastewater laden with multi-metals, and the process parameters obtained from this work can be used at the industrial scale.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 123; Issue 4. Issue front cover thumbnail. Volume 123, Issue 4. July 2011, pages 371-524. pp 371-378. Synthesis and photoelectrochemical characterization of a high molar extinction coefficient heteroleptic ruthenium(II) complex · L Giribabu Vrun Kumar Singh M ...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 127; Issue 8. DNA binding and cleavage activity of a structurally characterized Ni(II) Schiff base complex. Sarat Chandra Kumar Abhijit Pal Merry Mitra V M Manikandamathavan Chia -Her Lin Balachandran Unni Nair Rajarshi Ghosh. Regular Articles Volume 127 ...

Characterizing chemical systems with on-line computers and graphics

International Nuclear Information System (INIS)

Frazer, J.W.; Rigdon, L.P.; Brand, H.R.; Pomernacki, C.L.

1979-01-01

Incorporating computers and graphics on-line to chemical experiments and processes opens up new opportunities for the study and control of complex systems. Systems having many variables can be characterized even when the variable interactions are nonlinear, and the system cannot a priori be represented by numerical methods and models. That is, large sets of accurate data can be rapidly acquired, then modeling and graphic techniques can be used to obtain partial interpretation plus design of further experimentation. The experimenter can thus comparatively quickly iterate between experimentation and modeling to obtain a final solution. We have designed and characterized a versatile computer-controlled apparatus for chemical research, which incorporates on-line instrumentation and graphics. It can be used to determine the mechanism of enzyme-induced reactions or to optimize analytical methods. The apparatus can also be operated as a pilot plant to design control strategies. On-line graphics were used to display conventional plots used by biochemists and three-dimensional response-surface plots

Phenoxo bridged dinuclear Zn(II) Schiff base complex as new precursor for preparation zinc oxide nanoparticles: Synthesis, characterization, crystal structures and photoluminescence studies

Energy Technology Data Exchange (ETDEWEB)

Saeednia, S., E-mail: sami_saeednia@yahoo.com [Department of Chemistry, Faculty of Science, Vali-e-Asr University of Rafsanjan, Rafsanjan 77188-97111 (Iran, Islamic Republic of); Iranmanesh, P. [Department of physics, Faculty of Science, Vali-e-Asr University of Rafsanjan, Rafsanjan 77188-97111 (Iran, Islamic Republic of); Ardakani, M. Hatefi; Mohammadi, M.; Norouzi, Gh. [Department of Chemistry, Faculty of Science, Vali-e-Asr University of Rafsanjan, Rafsanjan 77188-97111 (Iran, Islamic Republic of)

2016-06-15

Highlights: • A novel nano-scale Zn(II) complex was synthesized by solvothermal method. • Chemical structure of the nanostructures was characterized as well as bulk complex. • The photoluminescence property of the complex was investigated at room temperature. • The thermogravimetry and differential thermal analysis were carried out. • Thermal decomposition of the nanostructures was prepared zinc oxide nanoparticles. - Abstract: Nanoparticles of a novel Zn(II) Schiff base complex, [Zn(HL)NO{sub 3}]{sub 2} (1), (H{sub 2}L = 2-[(2-hydroxy-propylimino) methyl] phenol), was synthesized by using solvothermal method. Shape, morphology and chemical structure of the synthesized nanoparticles were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD), Fourier Transform Infrared Spectoscopy (FT-IR) and UV–vis spectroscopy. Structural determination of compound 1 was determined by single-crystal X-ray diffraction. The results were revealed that the zinc complex is a centrosymmetric dimer in which deprotonated phenolates bridge the two five-coordinate metal atoms and link the two halves of the dimer. The thermal stability of compound 1 was analyzed by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). The effect of the initial substrates concentration and reaction time on size and morphology of compound 1 nanostructure was investigated as well. Furthermore, the luminescent properties of the complex 1 were examined. ZnO nanoparticles with diameter between 15 and 20 nm were simply synthesized by solid-state transformation of compound 1 at 700 °C.

Preparation, structural characterization, and catalytic performance of Pd(II) and Pt(II) complexes derived from cellulose Schiff base

Science.gov (United States)

Baran, Talat; Yılmaz Baran, Nuray; Menteş, Ayfer

2018-05-01

In this study, we reported production, characterization, and catalytic behavior of two novel heterogeneous palladium(II) and platinum(II) catalysts derived from cellulose biopolymer. In order to eliminate the use of toxic organic or inorganic solvents and to reduce the use of excess energy in the coupling reactions, we have developed a very simple, rapid, and eco-friendly microwave irradiation protocol. The developed microwave-assisted method of Suzuki cross coupling reactions produced excellent reaction yields in the presence of cellulose supported palladium and platinum (II) catalysts. Moreover, the catalysts easily regenerated after simple filtration, and they gave good reusability. This study revealed that the designed catalysts and method provide clean, simple, rapid, and impressive catalytic performance for Suzuki coupling reactions.

Removal of Cd (II from Aqueous Media by Adsorption onto Chemically and Thermally Treated Rice Husk

Directory of Open Access Journals (Sweden)

María Camila Hoyos-Sánchez

2017-01-01

Full Text Available Chemically and thermally treated rice husks were evaluated as a potential decontaminant of toxic Cd (II in aqueous media. Rice husk (RH, a by-product from rice milling, was chemically treated with HCl and NaOH. Then, thermal treatments to 300, 500, and 700°C were applied. The chemical composition and morphological characteristics of RH were evaluated by different techniques. The specific surface area analysis of RH samples by BET nitrogen adsorption method provided specific surface areas ranging from 6 to 14 m2/g. SEM, FTIR, and EDX analyses of RH were carried out to determine the surface morphology, functional groups involved in metal binding mechanism, and C/O and C/Si ratios, respectively. The maximum Cd (II adsorption capacity was 28.27 mg/g at an optimum pH, 6.0. The kinetic studies revealed that adsorption process followed the pseudo-second-order kinetic model.

Characterization of chemical interactions during chemical mechanical polishing (CMP) of copper

Science.gov (United States)

Lee, Seung-Mahn

2003-10-01

Chemical mechanical polishing (CMP) has received much attention as an unique technique to provide a wafer level planarization in semiconductor manufacturing. However, despite the extensive use of CMP, it still remains one of the least understood areas in semiconductor processing. The lack of the fundamental understanding is a significant barrier to further advancements in CMP technology. One critical aspect of metal CMP is the formation of a thin surface layer on the metal surface. The formation and removal of this layer controls all the aspects of the CMP process, including removal rate, surface finish, etc. In this dissertation, we focus on the characterization of the formation and removal of the thin surface layer on the copper surface. The formation dynamics was investigated using static and dynamic electrochemical techniques, including potentiodynamic scans and chronoamperometry. The results were validated using XPS measurements. The mechanical properties of the surface layer were investigated using nanoindentation measurements. The electrochemical investigation showed that the thickness of the surface layer is controlled by the chemicals such as an oxidizer (hydrogen peroxide), a corrosion inhibitor (benzotriazole), a complexing agent (citric acid), and their concentrations. The dynamic electrochemical measurements indicated that the initial layer formation kinetics is unaffected by the corrosion inhibitors. The passivation due to the corrosion inhibitor becomes important only on large time scales (>200 millisecond). The porosity and the density of the chemically modified surface layer can be affected by additives of other chemicals such as citric acid. An optimum density of the surface layer is required for high polishing rate while at the same time maintaining a high degree of surface finish. Nanoindentation measurements indicated that the mechanical properties of the surface layer are strongly dependent on the chemical additives in the slurry. The CMP

Neutron activation analysis for chemical characterization of Brazilian oxo-biodegradable plastics

International Nuclear Information System (INIS)

Mateus Eugenio Boscaro; De Nadai Fernandes, E.A.; Marcio Arruda Bacchi; Luis Gustavo Cofani dos Santos; Cofani dos Santos, S.N.S.; Sandra Mara Martins-Franchetti

2015-01-01

The chemical characterization of oxo-biodegradable plastic bags was performed by neutron activation analysis. The presence of several chemical elements (As, Br, Ca, Co, Cr, Fe, Hf, K, La, Na, Sb, Sc, Ta and Zn) with large variability of mass fractions amongst samples indicates that these plastics receive additives and may have been contaminated during manufacturing process thereby becoming potential environmental pollutants. (author)

Mode II Interlaminar Fracture Toughness and Fatigue Characterization of a Graphite Epoxy Composite Material

Science.gov (United States)

O'Brien, T. Kevin; Johnston, William M.; Toland, Gregory J.

2010-01-01

Mode II interlaminar fracture toughness and delamination onset and growth characterization data were generated for IM7/8552 graphite epoxy composite materials from two suppliers for use in fracture mechanics analyses. Both the fracture toughness testing and the fatigue testing were conducted using the End-notched Flexure (ENF) test. The ENF test for mode II fracture toughness is currently under review by ASTM as a potential standard test method. This current draft ASTM protocol was used as a guide to conduct the tests on the IM7/8552 material. This report summarizes the test approach, methods, procedures and results of this characterization effort.

Synthesis and characterization of Ni(II, Cu(II and Co(III complexes with polyamine-containing macrocycles bearing an aminoethyl pendant arm

Directory of Open Access Journals (Sweden)

K. S. SIDDIQI

2004-09-01

Full Text Available Reaction of [M(ppn2]X2 (where M = Cu(II, Ni(II, Co(II and ppn = 1,3-diaminopropane with formaldehyde and ethylenediamine in methanol results in the ready formation of a 16-membered macrocyclic complex. The complexes were characterized by elemental anlysis, IR, EPR, electronic spectral data, magnetic moments and conductance measurements. The Cu(II, Ni(II and Co(III complexes are coordinated axially with both pendant groups of the hexadentate macrocycle. These pendant donors are attached to the macrocycle by a carbon chain. The electrical conductivities of the Cu(II and Ni(II chelates indicated them to be 1:2 electrolytes whilst those of Co(III is a 1:3 electrolyte in DMSO. The EPR spectrum of the copper complex exhibited G at 3.66, which indicates a considerable exchange interaction in the complex. Spectroscopic evidence suggests that in all of the complexes the metal ion is in an octahedral environment.

Chemical Characterization, Antioxidant and Enzymatic Activity of Brines from Scandinavian Marinated Herring Products

DEFF Research Database (Denmark)

Gringer, Nina; Osman, Ali; Nielsen, Henrik Hauch

2014-01-01

Brines generated during the last marination step in the production of marinated herring (Clupea harengus) were chemically characterized and analyzed for antioxidant and enzyme activities. The end-products were vinegar cured, spice cured and traditional barrel-salted herring with either salt...... or spices. The chemical characterization encompassed pH, dry matter, ash, salt, fatty acids, protein, polypeptide pattern, iron and nitrogen. The antioxidant activity was tested with three assays measuring: iron chelation, reducing power and radical scavenging activity. The enzymatic activity for peroxidase...

Real-time chemical characterization of atmospheric particulate matter in China: A review

Science.gov (United States)

Li, Yong Jie; Sun, Yele; Zhang, Qi; Li, Xue; Li, Mei; Zhou, Zhen; Chan, Chak K.

2017-06-01

Atmospheric particulate matter (PM) pollution has become a major health threat accompanying the rapid economic development in China. For decades, filter-based offline chemical analyses have been the most widely adopted means to investigate PM and have provided much information for understanding this type of pollution in China. However, offline analyses have low time resolutions and the chemical information thus obtained fail to reflect the dynamic nature of the sources and the rapid processes leading to the severe PM pollution in China. In recent years, advances in real-time PM chemical characterization have created a new paradigm for PM studies in China. In this review, we summarize those advances, focusing on the most widely used mass spectrometric and ion chromatographic techniques. We describe the findings from those studies in terms of spatiotemporal variabilities, degree of neutralization and oxygenation, source apportionment, secondary formation, as well as collocated measurements of the chemical and physical (hygroscopic and optical) properties of PM. We also highlight the new insights gained from those findings and suggest future directions for further advancing our understanding of PM pollution in China via real-time chemical characterization.

Synthesis and spectroscopic studies of biologically active tetraazamacrocyclic complexes of Mn(II, Co(II, Ni(II, Pd(II and Pt(II

Directory of Open Access Journals (Sweden)

Monika Tyagi

2014-01-01

Full Text Available Complexes of Mn(II, Co(II, Ni(II, Pd(II and Pt(II were synthesized with the macrocyclic ligand, i.e., 2,3,9,10-tetraketo-1,4,8,11-tetraazacycoletradecane. The ligand was prepared by the [2 + 2] condensation of diethyloxalate and 1,3-diamino propane and characterized by elemental analysis, mass, IR and 1H NMR spectral studies. All the complexes were characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, IR, electronic and electron paramagnetic resonance spectral studies. The molar conductance measurements of Mn(II, Co(II and Ni(II complexes in DMF correspond to non electrolyte nature, whereas Pd(II and Pt(II complexes are 1:2 electrolyte. On the basis of spectral studies an octahedral geometry has been assigned for Mn(II, Co(II and Ni(II complexes, whereas square planar geometry assigned for Pd(II and Pt(II. In vitro the ligand and its metal complexes were evaluated against plant pathogenic fungi (Fusarium odum, Aspergillus niger and Rhizoctonia bataticola and some compounds found to be more active as commercially available fungicide like Chlorothalonil.

Syntheses, structural characterization and spectroscopic studies of cadmium(II)-metal(II) cyanide complexes with 4-(2-aminoethyl)pyridine

Science.gov (United States)

Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Hökelek, Tuncer

2017-02-01

Three new cadmium(II)-metal(II) cyanide complexes, [Cd(4aepy)2(H2O)2][Ni(CN)4] (1), [Cd(4aepy)2(H2O)2][Pd(CN)4] (2) and [Cd(4aepy)2(H2O)2][Pt(CN)4] (3) [4aepy = 4-(2-aminoethyl)pyridine], have been synthesized and characterized by elemental, thermal, FT-IR and Raman spectral analyses. The crystal structures of 1 and 2 have been determined by single crystal X-ray diffraction technique, in which they crystallize in the monoclinic system and C2/c space group. The M(II) [M(II) = Ni(II), Pd(II) and Pt(II)] ions are coordinated with the carbon atoms of the four cyanide groups in the square planar geometries and the [M(CN)4]2- ions act as counter ions. The Cd(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. 3D supramolecular structures of 1 and 2 were occurred by M⋯π and hydrogen bonding (Nsbnd H⋯N and Osbnd H⋯N) interactions. Vibrational assignments of all the observed bands were given and the spectral properties were also supported the crystal structures of the complexes. A possible decompositions of the complexes were investigated in the temperature range 30-800 °C in the static atmosphere.

Physical and chemical characterization of bioaerosols - Implications for nucleation processes

Science.gov (United States)

Ariya, P. A.; Sun, J.; Eltouny, N. A.; Hudson, E. D.; Hayes, C. T.; Kos, G.

The importance of organic compounds in the oxidative capacity of the atmosphere, and as cloud condensation and ice-forming nuclei, has been recognized for several decades. Organic compounds comprise a significant fraction of the suspended matter mass, leading to local (e.g. toxicity, health hazards) and global (e.g. climate change) impacts. The state of knowledge of the physical chemistry of organic aerosols has increased during the last few decades. However, due to their complex chemistry and the multifaceted processes in which they are involved, the importance of organic aerosols, particularly bioaerosols, in driving physical and chemical atmospheric processes is still very uncertain and poorly understood. Factors such as solubility, surface tension, chemical impurities, volatility, morphology, contact angle, deliquescence, wettability, and the oxidation process are pivotal in the understanding of the activation processes of cloud droplets, and their chemical structures, solubilities and even the molecular configuration of the microbial outer membrane, all impact ice and cloud nucleation processes in the atmosphere. The aim of this review paper is to assess the current state of knowledge regarding chemical and physical characterization of bioaerosols with a focus on those properties important in nucleation processes. We herein discuss the potential importance (or lack thereof) of physical and chemical properties of bioaerosols and illustrate how the knowledge of these properties can be employed to study nucleation processes using a modeling exercise. We also outline a list of major uncertainties due to a lack of understanding of the processes involved or lack of available data. We will also discuss key issues of atmospheric significance deserving future physical chemistry research in the fields of bioaerosol characterization and microphysics, as well as bioaerosol modeling. These fundamental questions are to be addressed prior to any definite conclusions on the

Synthesis, Spectral Characterization and Antioxidant Activity of Tin(II-Morin Complex

Directory of Open Access Journals (Sweden)

Shahabuddin Memon

2012-12-01

Full Text Available The study focuses on the interaction between morin and Tin(II and the resulting complex was characterized through various analytical techniques by comparing it with morin. The complexation was confirmed at first by UV-Vis study, which shows that addition of Tin(II to morin may produce bathochromic shifts indicative of complex formation. IR spectral studies indicated that carbonyl has involved in coordination with Tin(II. Moreover, 1H-NMR studies validated that in conjunction with carbonyl, 3-OH of morin is more appropriate to be involved in complexation by replacement of its proton. Scavenging activities of morin and its Tin(II complex on DPPH• radical showed the inhibitory rates of 65% and 49%, respectively. In addition, the reducing capacity of morin was outstanding at 0.5 and 2.0 mg/ml concentrations relative to Tin(II complex. Overall, the study potentially shows the strong impact in order to design the anticancer drugs jointly from its cytotoxic potential and antioxidant activities, thereby selectively targeting the cancerous cells in result increasing their therapeutic index as well as extra advantages over other anticancer drugs.

Synthesis, spectroscopic characterization, electrochemistry and biological evaluation of some metal (II) complexes with ONO donor ligand containing benzo[b]thiophene and coumarin moieties

Science.gov (United States)

Mahendra Raj, K.; Mruthyunjayaswamy, B. H. M.

2014-09-01

Schiff base ligand 3-chloro-N‧-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzo[b]thiophene-2-carbohydrazide and its Cu(II), Co(II), Ni(II) and Zn(II) complexes were synthesized, characterized by elemental analysis and various physico-chemical techniques like, IR, 1H NMR, ESI-mass, UV-Visible, thermogravimetry - differential thermal analysis, magnetic measurements and molar conductance. Spectral analysis indicates octahedral geometry for all the complexes. Cu(II) complex have 1:1 stoichiometry of the type [M(L)(Cl)(H2O)2], whereas Co(II), Ni(II) and Zn(II) complexes have 1:2 stoichiometric ratio of the type [M(L)2]. The bonding sites are the oxygen atom of amide carbonyl, nitrogen of azomethine function and phenolic oxygen of the Schiff base ligand via deprotonation. The thermogravimetry - differential thermal analysis studies gave evidence for the presence of coordinated water molecules in the composition of Cu(II) complex which was further supported by IR measurements. All the complexes were investigated for their electrochemical activity, but only the Cu(II) complex showed the redox property. In order to evaluate the effect of antimicrobial potency of metal ions upon chelation, ligand and its metal complexes along with their respective metal chlorides were screened for their antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The results showed that the metal complexes were found to be more active than free ligand. Ligand and its complexes were screened for free radical scavenging activity by DPPH method and DNA cleavage activity using Calf-thymus DNA (Cat. No-105850).

Synthesis and Characterization of Some New Cu(II, Ni(II and Zn(II Complexes with Salicylidene Thiosemicarbazones: Antibacterial, Antifungal and in Vitro Antileukemia Activity

Directory of Open Access Journals (Sweden)

Tudor Rosu

2013-07-01

Full Text Available Thirty two new Cu(II, Ni(II and Zn(II complexes (1–32 with salicylidene thiosemicarbazones (H2L1–H2L10 were synthesized. Salicylidene thiosemicarbazones, of general formula (XN-NH-C(S-NH(Y, were prepared through the condensation reaction of 2-hydroxybenzaldehyde and its derivatives (X with thiosemicarbazide or 4-phenylthiosemicarbazide (Y = H, C6H5. The characterization of the new formed compounds was done by 1H-NMR, 13C-NMR, IR spectroscopy, elemental analysis, magnetochemical, thermoanalytical and molar conductance measurements. In addition, the structure of the complex 5 has been determined by X-ray diffraction method. All ligands and metal complexes were tested as inhibitors of human leukemia (HL-60 cells growth and antibacterial and antifungal activities.

Physico-chemical characterization of functionalized polypropylenic fibers for prosthetic applications

Science.gov (United States)

Nisticò, Roberto; Faga, Maria Giulia; Gautier, Giovanna; Magnacca, Giuliana; D'Angelo, Domenico; Ciancio, Emanuele; Piacenza, Giacomo; Lamberti, Roberta; Martorana, Selanna

2012-08-01

Polypropylene (PP) fibers can be manufactured to form nets which can find application as prosthesis in hernioplasty. One of the most important problem to deal with when nets are applied in vivo consists in the reproduction of bacteria within the net fibers intersections. This occurs right after the application of the prosthesis, and causes infections, thus it is fundamental to remove bacteria in the very early stage of the nets application. This paper deals with the physico-chemical characterization of such nets, pre-treated by atmospheric pressure plasma dielectric barrier discharge apparatus (APP-DBD) and functionalized with an antibiotic drug such as chitosan. The physico-chemical characterization of sterilized nets, before and after the functionalization with chitosan, was carried out by means of scanning electron microscopy (SEM) coupled with EDS spectroscopy, FTIR spectroscopy, drop shape analysis (DSA), X-ray diffraction and thermal analyses (TGA and DSC). The aim of the work is to individuate a good strategy to characterize this kind of materials, to understand the effects of polypropylene pre-treatment on functionalization efficiency, to follow the materials ageing in order to study the effects of the surface treatment for in vivo applications.

Physico-chemical characterization of functionalized polypropylenic fibers for prosthetic applications

International Nuclear Information System (INIS)

Nisticò, Roberto; Faga, Maria Giulia; Gautier, Giovanna; Magnacca, Giuliana; D’Angelo, Domenico; Ciancio, Emanuele; Piacenza, Giacomo; Lamberti, Roberta; Martorana, Selanna

2012-01-01

Polypropylene (PP) fibers can be manufactured to form nets which can find application as prosthesis in hernioplasty. One of the most important problem to deal with when nets are applied in vivo consists in the reproduction of bacteria within the net fibers intersections. This occurs right after the application of the prosthesis, and causes infections, thus it is fundamental to remove bacteria in the very early stage of the nets application. This paper deals with the physico-chemical characterization of such nets, pre-treated by atmospheric pressure plasma dielectric barrier discharge apparatus (APP-DBD) and functionalized with an antibiotic drug such as chitosan. The physico-chemical characterization of sterilized nets, before and after the functionalization with chitosan, was carried out by means of scanning electron microscopy (SEM) coupled with EDS spectroscopy, FTIR spectroscopy, drop shape analysis (DSA), X-ray diffraction and thermal analyses (TGA and DSC). The aim of the work is to individuate a good strategy to characterize this kind of materials, to understand the effects of polypropylene pre-treatment on functionalization efficiency, to follow the materials ageing in order to study the effects of the surface treatment for in vivo applications.

Geotechnical and Physico-Chemical Characterization of Low Lime Fly Ashes

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Arif Ali Baig Moghal

2013-01-01

Full Text Available In order to explore the possibility of using low-lime fly ashes, the physical and chemical properties which have a direct bearing on their geotechnical and geoenvironmental behaviors have been investigated. In this paper, two types of low-lime fly ashes, originating from India, have been used. A brief account of various methods adopted in characterizing their physical, chemical, and geotechnical properties is presented. The relative importance of each of these properties in enhancing the bulk applicability of fly ashes has been brought out.

Electrochemical treatment of Orange II dye solution-Use of aluminum sacrificial electrodes and floc characterization

International Nuclear Information System (INIS)

Mollah, M. Yousuf A.; Gomes, Jewel A.G.; Das, Kamol K.; Cocke, David L.

2010-01-01

Electrocoagulation (EC) of Orange II dye in a flow through cell with aluminum as sacrificial electrodes was carried out under varying conditions of dye concentration, current density, flow rate, conductivity, and the initial pH of the solution in order to optimize the operating parameters for maximum benefits. Maximum removal efficiency of 94.5% was obtained at the following conditions: dye concentration = 10 ppm, current density = 160 A/m 2 , initial pH 6.5, conductance = 7.1 mS/cm, flow rate = 350 mL/min, and concentration of added NaCl = 4.0 g/L of dye solution. The EC-floc was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy/energy dispersive X-ray spectroscopy, and powder X-ray diffraction techniques. The removal mechanism has been proposed that is in compliance with the Pourbaix diagram, solubility curve of aluminum oxides/hydroxides, and physico-chemical properties of the EC-floc.

Electrochemical treatment of Orange II dye solution-Use of aluminum sacrificial electrodes and floc characterization

Energy Technology Data Exchange (ETDEWEB)

Mollah, M. Yousuf A. [Department of Chemistry, University of Dhaka, Dhaka-1000 (Bangladesh); Gomes, Jewel A.G., E-mail: jewel.gomes@lamar.edu [Dan F. Smith Department of Chemical Engineering, Lamar University, P.O. Box 10053, Beaumont, TX 77710 (United States); Das, Kamol K.; Cocke, David L. [Gill Chair of Chemical Engineering, Lamar University, P.O. Box 10053, Beaumont, TX 77710 (United States)

2010-02-15

Electrocoagulation (EC) of Orange II dye in a flow through cell with aluminum as sacrificial electrodes was carried out under varying conditions of dye concentration, current density, flow rate, conductivity, and the initial pH of the solution in order to optimize the operating parameters for maximum benefits. Maximum removal efficiency of 94.5% was obtained at the following conditions: dye concentration = 10 ppm, current density = 160 A/m{sup 2}, initial pH 6.5, conductance = 7.1 mS/cm, flow rate = 350 mL/min, and concentration of added NaCl = 4.0 g/L of dye solution. The EC-floc was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy/energy dispersive X-ray spectroscopy, and powder X-ray diffraction techniques. The removal mechanism has been proposed that is in compliance with the Pourbaix diagram, solubility curve of aluminum oxides/hydroxides, and physico-chemical properties of the EC-floc.

Synthesis, characterization, DNA interaction and antimicrobial screening of isatin-based polypyridyl mixed-ligand Cu(II and Zn(II complexes

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NATARAJAN RAMAN

2010-06-01

Full Text Available Several mixed ligand Cu(II/Zn(II complexes using 3-(phenyl-imino-1,3-dihydro-2H-indol-2-one (obtained by the condensation of isatin and aniline as the primary ligand and 1,10-phenanthroline (phen/2,2’-bipyridine (bpy as an additional ligand were synthesized and characterized analytically and spectroscopically by elemental analyses, magnetic susceptibility and molar conductance measurements, as well as by UV–Vis, IR, NMR and FAB mass spectroscopy. The interaction of the complexes with calf thymus (CT DNA was studied using absorption spectra, cyclic voltammetric and viscosity measurements. They exhibit absorption hypochromicity, and the specific viscosity increased during the binding of the complexes to calf thymus DNA. The shifts in the oxidation–reduction potential and changes in peak current on addition of DNA were shown by CV measurements. The Cu(II/Zn(II complexes were found to promote cleavage of pUC19 DNA from the supercoiled form I to the open circular form II and linear form III. The complexes show enhanced antifungal and antibacterial activities compared with the free ligand.

Characterization of IGF-II isoforms in binge eating disorder and its group psychological treatment.

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Giorgio Tasca

Full Text Available Binge eating disorder (BED affects 3.5% of the population and is characterized by binge eating for at least 2 days a week for 6 months. Treatment options include cognitive behavioral therapy, interpersonal psychotherapy, and pharmacotherapy which are associated with varied success. Little is known about the biology of BED. Since there is evidence that the insulin like growth factor system is implicated in regulation of body weight, insulin sensitivity and feeding behavior, we speculated it may be involved in BED.A cross-sectional comparison was made between three groups of women: overweight with BED, overweight without BED and normal weight without BED. Women were assigned to Group Psychodynamic Interpersonal Psychotherapy. Blood was collected before therapy, at completion and at 6 months follow up for evaluation of IGF-II using Western blot.97 overweight women with BED contributed to the cross-sectional comparison. The two control groups comprised 53 overweight women without BED, and 50 age matched normal weight women without BED. Obese women had significantly lower Big IGF-II than normal weight women, p = .028; Overweight women with BED had higher Mature IGF-II than normal weight women, p<.05. Big IGF-II showed a significant decreasing slope from pre- to post- to six months post-group psychological treatment, unrelated to changes in BMI (p = .008.Levels of IGF-II isoforms differed significantly between overweight and normal weight women. Overweight women with BED display abnormal levels of circulating IGF-II isoforms. BED is characterized by elevated mature IGF-II, an isoform shown to carry significant bioactivity. This finding is not related to BMI or to changes in body weight. The results also provide preliminary evidence that BIG IGF-II is sensitive to change due to group psychological treatment. We suggest that abnormalities in IGF-II processing may be involved in the neurobiology of BED.

PENGEMBANGAN ASESMEN ALTERNATIF PRAKTIKUM KIMIA DASAR II MELALUI CHEMISTRY FAIR PROJECT (CFP BERBASIS KONSERVASI DENGAN MEMANFAATKAN DAILY CHEMICAL

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Indah Urwatin Wusqo

2016-12-01

Full Text Available Penelitian ini bertujuan untuk (1 Mengembangkan asesmen alternatif pada praktikum kimia dasar II melalui chemistry fair project berbasis konservasi dengan memanfaatkan daily chemical(2 Mengetahui tingkat kevalidan, kepraktisan dan keefektifannya. Penelitian ini merupakan penelitian pengembangan (Development Research Model pengembangan yang diterapkan Dick dan Carey (1985. Subjek uji coba terbatas maupun subjek uji coba lapangan adalah dosen dan mahasiswa Prodi Pendidikan IPA UNNES. Sampel ditentukan secara purposive, yaitu dosen pengampu dan mahasiswa yang menempuh mata kuliah Praktikum Kimia Dasar II. Data yang diperoleh dari uji coba ini adalah: (1 masukan dari pakar, untuk menentukan validitas isi dan konstruk dari fitur asesmen; (2 masukan dari sampel uji coba terbatas, untuk menentukan kepraktisan petunjuk chemistry fair project (CFP berbasis konservasi dengan memanfaatkan daily chemical ; Instrumen pengumpul data berupa angket keterbacaan petunjuk pembuatan chemistry fair project (CFP berbasis konservasi dengan memanfaatkan daily chemical, pedoman penskoran. (3 data hasil belajar siswa untuk mengetahui efektivitas asesmen. Masukan dari pakar angket mahasiswa, dan nilai chemistry fair project (CFP sampel ujicoba terbatas dianalisis secara kualitatif, dan kuantitatif. Asesmen alternative Praktikum Kimia Dasar II yang dikembangkan dikatakan berhasil baik apabila asesmen yang dikembangkan valid, praktis, dan efektif.

Biochemical and chemical characterization of pink-pigmented oxidative bacteria.

Science.gov (United States)

Wallace, P L; Hollis, D G; Weaver, R E; Moss, C W

1990-04-01

The biochemical and chemical characteristics were determined for 156 clinical isolates of pink-pigmented bacteria that are similar to but distinct from Methylobacterium extorquens (synonymous with Pseudomonas mesophilica). These isolates were gram-negative, nonfermentative, usually nonvacuolated, coccoid rods; all grew at 35 degrees C and were catalase and urease positive; the majority grew on MacConkey agar and were variable for oxidase production and motility. On the basis of oxidation of xylose and mannitol and hydrolysis of esculin, these 156 strains were subdivided into four groups that were designated "pink coccoid" groups I, II, III, and IV. Groups I, II, and III are similar to an unnamed taxon described by Gilardi and Faur in 1984; only strains of group IV hydrolyze esculin. The cellular fatty acid compositions of strains of groups I, II, and III were essentially identical and differed from strains of group IV by the absence of 3-OH-C14:0 and the presence of C19:0 delta and 2-OH-C19:0 delta. The fatty acid composition of group IV strains was most similar to that of M. extorquens but differed by the presence of small amounts of two C17:1 acids, 3-OH-C16:0, and 2-OH-C18:1.

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

Science.gov (United States)

Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

2014-01-01

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

Synthesis, Characterization, and Biological Activity of Nickel (II and Palladium (II Complex with Pyrrolidine Dithiocarbamate (PDTC

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Sk Imadul Islam

2016-01-01

Full Text Available The synthesis of square planar Ni(II and Pd(II complexes with pyrrolidine dithiocarbamate (PDTC was characterized by elemental, physiochemical, and spectroscopic methods. Two complexes were prepared by the reaction of nickel acetate and palladium acetate with pyrrolidine dithiocarbamate (PDTC in 1 : 2 molar ratio. The bovine serum albumin (BSA interaction with complexes was examined by absorption and fluorescence spectroscopic techniques at pH 7.4. All the spectral data suggest that coordination of the pyrrolidine dithiocarbamate (PDTC takes place through the two sulphur atoms in a symmetrical bidentate fashion. All the synthesized compounds were screened for their antimicrobial activity against some species of pathogenic bacteria (Escherichia coli, Vibrio cholerae, Streptococcus pneumonia, and Bacillus cereus. It has been observed that complexes have higher activity than the free ligand.

Structural and IR-spectroscopic characterization of cadmium and lead(II) acesulfamates

Energy Technology Data Exchange (ETDEWEB)

Echeverria, Gustavo A.; Piro, Oscar E. [Univ. Nacional de La Plata (Argentina). Dept. de Fisica y Inst. IFLP (CONICET- CCT-La Plata); Parajon-Costa, Beatriz S.; Baran, Enrique J. [Univ. Nacional de La Plata (Argentina). Centro de Quimica Inorganica (CEQUINOR/CONICET- CCT-La Plata)

2017-07-01

Cadmium and lead(II) acesulfamate, Cd(C{sub 4}H{sub 4}NO{sub 4}S){sub 2} . 2H{sub 2}O and Pb(C{sub 4}H{sub 4}NO{sub 4}S){sub 2}, were prepared by the reaction of acesulfamic acid and the respective metal carbonates in aqueous solution, and characterized by elemental analysis. Their crystal structures were determined by single crystal X-ray diffraction methods. The Cd(II) compound crystallizes in the monoclinic space group P2{sub 1}/c with Z=4 and the corresponding Pb(II) salt in the triclinic space group P anti 1 with Z=2. In both salts, acesulfamate acts both as a bi-dentate ligand through its nitrogen and carbonyl oxygen atoms and also as a mono-dentate ligand through this same oxygen atom, giving rise to polymeric structures; in the Pb(II) salt the ligand also binds the cation through its sulfoxido oxygen atoms. The FTIR spectra of the compounds were recorded and are briefly discussed. Some comparisons with other related acesulfamate and saccharinate complexes are made.

Quantum chemical calculations and experimental investigations on 2-aminobenzoic acid-cyclodiphosph(V)azane derivative and its homo-binuclear Cu(II) complex

Science.gov (United States)

El-Gogary, Tarek M.; Alaghaz, Abdel-Nasser M. A.; Ammar, Reda A. A.

2012-03-01

A novel 2-aminobenzoic acid-cyclodiphosph(V)azane ligand H4L and its homo-binuclear Cu(II) complex of the type [Cu2L(H2O)2].2.5 H2O in which L is 1,3-di(-o-pyridyl)-2,4-(dioxo)-2',4'-bis-(2-iminobenzoic acid) cyclodiphosph(V)azane, were synthesized and characterized by different physical techniques. Infrared spectra of the complex indicate deprotonation and coordination of the imine NH and carboxyl COOH groups. It also confirms that nitrogen atom of the pyridine ring contribute to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square-planar geometry for the Cu(II) complex. The elemental analyses and thermogravimetric results have justified the [Cu2L(H2O)2]·2.5H2O composition of the complex. Quantum chemical calculations were utilized to explore the electronic structure and stability of the H4L as well as the binuclear Cu(II) complex. Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of H4L and its binuclear Cu(II) complex. Different tautomers and geometrical isomers of the ligand were optimized at the ab initio DFT level. Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra.

Synthesis and characterization of a surface-grafted Cd(II) ion-imprinted polymer for selective separation of Cd(II) ion from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Li, Min [State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China); Feng, Changgen, E-mail: cgfeng@cast.org.cn [State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China); Li, Mingyu; Zeng, Qingxuan; Gan, Qiang [State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081 (China); Yang, Haiyan [Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China)

2015-03-30

Highlights: • Cd(II) ion-imprinted polymer (Cd(II)-IIP) is prepared. • Cd(II)-IIP shows high stability, good selectivity and reusability. • Cd(II)-IIP can be used as a sorbent for selective removal of Cd(II) ion. - Abstract: A novel Cd(II) ion-imprinted polymer (Cd(II)-IIP) was prepared with surface imprinting technology by using cadmium chloride as a template and allyl thiourea (ATU) as a functional monomer for on-line solid-phase extraction of trace Cd(II) ion and selective separation Cd(II) ion in water samples. The Cd(II)-IIP exhibited good chemical performance and thermal stability. Kinetics studies showed that the equilibrium adsorption was achieved within 8.0 min and the adsorption process can be described by pseudo-second-order kinetic model. Compared to the Cd(II) non-imprinted polymer (Cd(II)-NIP), the Cd(II)-IIP had a higher adsorption capacity and selectivity for Cd(II) ion. The maximum adsorption capacities of the Cd(II)-IIP and Cd(II)-NIP for Cd(II) were 38.30 and 13.21 mg g{sup −1}, respectively. The relative selectivity coefficients of the adsorbent for Cd(II) in the presence of Cu{sup 2+}, Ni{sup 2+}, Co{sup 2+}, Pb{sup 2+} and Zn{sup 2+} were 2.86, 6.42, 11.50, 9.46 and 3.73, respectively. In addition, the Cd(II) ion adsorbed was easy to remove from sorbent and the Cd(II)-IIP exhibited good stability and reusability. The adsorption capacity had no obvious decrease after being used six times. The accuracy of this method was verified by the standard reference material, it was then applied for cadmium ion determination in different types of water samples.

Textural and chemical characterizations of adsorbent prepared from palm shell by potassium hydroxide impregnation at different stages.

Science.gov (United States)

Guo, Jia; Lua, Aik Chong

2002-10-15

Preparation and characterization of activated carbon from palm shell, a carbonaceous agricultural solid waste, by potassium hydroxide treatment at different stages were studied. The effects of activation temperature and chemical to sample ratio on the characteristics of the activated carbon were investigated. Fixed-bed adsorption of sulfur dioxide (SO(2)) gas was carried out to evaluate the adsorptive capacity of the samples. Desorption tests were conducted to verify the occurrence of chemisorption due to some surface functional groups or of chemical reaction between SO(2) and KOH. It was found that pre-impregnation of raw palm shell was involved in replacement of some hydrogen ions with potassium ions to form cross-linked complexes, which retarded the tar formation during carbonization, resulting in a relatively high yield. Moreover, these potassium ions accelerated the reaction as catalysts during gasification of chars by carbon dioxide. For chars with mid-impregnation, potassium hydroxide acted in two ways: (i) formation of metallic potassium by dehydration and (ii) conversion into potassium carbonate. Metallic potassium intercalated to the carbon matrix accounted for pore development and potassium carbonate layer prevented the sample from over burn-off. Post-impregnation of final products modified the textural characteristics of the sample as some pore entrances were blocked by chemicals. However, potassium hydroxide enhanced the amount of SO(2) uptaken via formation of potassium sulfite.

Phyto chemical and biological studies of certain plants with potential radioprotective activity

International Nuclear Information System (INIS)

Sherif, N.H.M.I

2008-01-01

One of the promising directions of radiation protection development is the search for natural radioprotective agents.The present work includes: I- Screening of certain edible and medicinal plants growing in Egypt for their radioprotective activities. II- Detailed phyto chemical and biolo-activity studies of the dried leaves of brassaia actinophylla endl. comprising: A-Phyto chemical screening and proximate analysis. B-Investigation of lipoidal matter. C- Isolation, characterization and structure elucidation of phenolic constituents. D- Isolation, characterization and structure elucidation of saponin constituents. E- Evaluation of radioprotective and antitumor activities. I- Evaluation of potential radioprotective activities of certain herbs: In vivo biological screening designed to investigate the radioprotective role of 70% ethanol extract of 11 different herbals was carried out by measuring the lipid peroxide content, as well as the activities of two antioxidant enzymes; viz glutathione, and superoxide dismutase in blood and liver tissues 1 and 7 days after radiation exposure. II : Phyto chemical and biolo-activity studies of the dried leaves of brassaia actinophylla Endl A : preliminary phyto chemical screening, determination and TLC examination of successive extractives. B : Investigation of lipoidal matter. GLC of unsaponifiable matter (USM)

Synthesis and characterization of some complexes with imidazole and pyrazole from saccharinate transition ions in oxidation state (II)

International Nuclear Information System (INIS)

Pineda Cedeno, Leslie William

2001-01-01

The synthesis and characterization of metal ions saccharinate of the first serie of transition with the imidazole and pyrazole molecules in water and absolute ethanol were studied. In general, it found that in this series of saccharinate of coordinated water molecules are replaced by imidazole and pyrazole molecules with different substitution patterns, generating neutral complex of molecular formula [M(Sac) 2 (L) n (H 2 O) n-4 ] and cationic complex of molecular formula [M(L) n (H 2 O) 2 ]x2Sac, [M(L) n (H 2 O) 3 ]x2Sac, [M(L) n ]x2Sac, where M = V(II), Cr(II), Mc(II), Fe(II), Co(II), Ni(II) y Zn(II); Sac = saccharinate ion; L = imidazole (imd) and pyrazole (pir) and n = 6,4,3 and 2. These compounds are soluble in DMF and insoluble in all other common solvents. In turn, synthesized compounds in water were characterized by X ray crystallography, where preliminary data of refinement cycles, generate formulas of isostructural type [M(imd) 4 (H 2 O) 2 ]x2Sac and [M(Sac) 2 (pir) 2 (H 2 O) 2 ] where M = Co(II), Ni(II). The imidazole complex crystallize in the triclinic crystal system and space group P-1, while the pyrazole complexes crystallize in the monoclinic crystal system and space group P2 (1)/n. Gradual diminution was observed in the bond distances of M-N (saccharinate ion), M-N (imidazole) and M-N (pyrazole). The complex was characterized by spectroscopic methods, magnetic and electrochemical. (author) [es

Structural characterization of a Cu(II) thin-film aging in a Cu-nitrate solution

International Nuclear Information System (INIS)

Mear, F.O.; Essi, M.; Sistat, P.; Guimon, M.-F.; Gonbeau, D.; Pradel, A.

2009-01-01

The response of thin-film copper (II) ion-selective electrodes based on chalcogenide glassy Cu-Sb-Ge-Se is described according to the soaking time in a 10 -4 M copper (II) solution. The chalcogenide membrane/solution interface has been investigated by using electrochemical impedance spectroscopy (EIS) and X-ray photoelectron spectroscopy (XPS) in order to understand the sensing properties. During the first month of the soaking, an alteration of the membrane by a chemical change without alteration of the sensor detection performance has been observed.

Characterization of electrochemically and chemically generated technetium diphosphonate radiopharmaceuticals

International Nuclear Information System (INIS)

Martin, J.L. Jr.

1987-01-01

Tc-Methylene diphosphonate, (MDP), the skeletal imaging ligand is most use in radiopharmacies, is the first metal-ligand complex prepared electrochemically in this work. A similar systematic evaluation of electrochemically reduced Tc-dimethylaminomethylene diphosphonate (DMAD) is presented. DMAD as well as MDP have been characterized by anion exchange HPLC following NaBH4 reduction. The goal is twofold. First, the effect of varying the applied potential on the resultant chromatographic distribution of complexes is investigated. Secondly, the combination(s) of applied potential and preparation pH which preferentially directs the formation of technetium diphosphonate complexes previously shown to be superior skeletal imaging agents is determined. EXAFS, extended x-ray absorption fine structure spectroscopy, is applied to the analysis of dilute solutions (10mM) of electrochemically and chemically reduced Tc-MDP complexes. Further characterizations of electrochemically and chemically generated complexes are performed using in-vitro and in-vivo physiological techniques of biodistribution and blood clearance studies on Sprague Dawley rats and beagle dogs respectively. Finally, in-vitro and in-vivo dilution studies were performed using water, human and dog urine, to determine the influence of the physiological environment on clinically prepared and injected radiopharmaceuticals

Dipeptidyl peptidase-II from probiotic Pediococcus acidilactici: Purification and functional characterization.

Science.gov (United States)

Gandhi, Dimpi; Chanalia, Preeti; Attri, Pooja; Dhanda, Suman

2016-12-01

Dipeptidylpeptidase-II (DPP-II, E.C. 3.4.14.2), an exopeptidase was purified 15.4 fold with specific activity and yield of 15.4U/mg/mL and 14.68% respectively by a simple two step procedure from a probiotic Pediococcus acidilactici. DPP-II is 38.7KDa homodimeric serine peptidase with involvement of His and subunit mass of 18.9KDa. The enzyme exhibited optimal activity at pH 7.0 and 37°C with activation energy of 24.97kJ/mol. The enzyme retained more than 90% activity upto 50°C thus adding industrial importance. DPP-II hydrolysed Lys-Ala-4mβNA with K M of 50μM and V max of 30.8nmol/mL/min. In-silico characterization studies of DPP-II on the basis of peptide fragments obtained by MALDI-TOF revealed an evolutionary relationship between DPP-II of prokaryotes and phosphate binding proteins. Secondary and three-dimensional structure of enzyme was also deduced by in-silico approach. Functional studies of DPP-II by TLC and HPLC-analysis of collagen degraded products revealed that enzyme action released free amino acids and other metabolites. Microscopic and SDS-PAGE analysis of enzyme treated analysis of chicken's chest muscle (meat) hydrolysis revealed change and hydrolysis of myofibrils. This may affect the flavor and texture of meat thereby suggesting its role in meat tenderization. Being a protein of LAB (Lactic acid bacteria), it is also expected to be safe. Copyright © 2016 Elsevier B.V. All rights reserved.

Fe(II) and Co (II) complexes of (4-(4-bromophenyl)-[2,2'-bipyridine]-6-carboxylic acid) synthesis, characterization and electrochromic studies

International Nuclear Information System (INIS)

Saba, A.; Maqsood, Z.T.; Wasim, A.A.; Basha, F.Z.

2017-01-01

In this study novel complexes of substituted bipyridine (4-(4-bromophenyl)-[2,2'-bipyridine]-6-carboxylic acid) with Fe/sup +2/ and Co/sup +2/ were synthesized and characterized by different physical, analytical and spectral techniques which includes /sup 1/ H-NMR, MALDI-MS, FTIR, UV-VIS Spectrophotometry, CHN analysis and conductometry. Mole ratio method revealed that both complexes satisfied ML2 stoichiometry. Other characterization studies showed that substituted bipyridine acted as a tridentate ligand, with two pyridine N and one carboxylic O atom as binding sites per ligand molecule. The complexes were found octahedral, neutral and possessed fairly high molar absorptivities in visible region. Electrochromic studies revealed that Fe (II) complex had relatively good electrochromic properties with a reversible color change from blue to pale yellow. Co (II) complex, however, did not show significant electrochromic properties in the visible region. (author)

Mechanical, chemical and radiological characterization of the graphite of the UNGG reactors type

International Nuclear Information System (INIS)

Bresard, I.; Bonal, J.P.

2000-01-01

In the framework of UNGG reactors type dismantling procedures, the characterization of the graphite, used as moderator, has to be realized. This paper presents the mechanical, chemical and radiological characterizations, the properties measured and gives some results in the case of the Bugey 1 reactor. (A.L.B.)

Lithium beam characterization of cylindrical PBFA II hohlraum experiments

International Nuclear Information System (INIS)

Moats, A.R.; Derzon, M.S.; Chandler, G.A.; Haill, T.A.; Johnson, D.J.; Leeper, R.J.; Ruiz, C.L.; Wenger, D.F.

1995-01-01

Sandia National Laboratories is actively engaged in exploring indirect-drive inertial confinement fusion on the Particle Beam Fusion Accelerator (PBFA II) with pulsed-power accelerated lithium ions as the driver. Experiments utilizing cylindrical hohlraum targets were conducted in 1994. Using the incoming ion beam-induced line radiation from titanium wires surrounding these hohlraums, beam profiles during these experiments have been measured and characterized. These data, their comparison/cross-correlation with particle-based beam diagnostics, and an analysis of the beam parameters that most significantly influence target temperature are presented

Characterization of cloned cells from an immortalized fetal pulmonary type II cell line

Energy Technology Data Exchange (ETDEWEB)

Henderson, R.F.; Waide, J.J.; Lechner, J.F.

1995-12-01

A cultured cell line that maintained expression of pulmonary type II cell markers of differentiation would be advantageous to generate a large number of homogenous cells in which to study the biochemical functions of type II cells. Type II epithelial cells are the source of pulmonary surfactant and a cell of origin for pulmonary adenomas. Last year our laboratory reported the induction of expression of two phenotypic markers of pulmonary type II cells (alkaline phosphatase activity and surfactant lipid synthesis) in cultured fetal rat lung epithelial (FRLE) cells, a spontaneously immortalized cell line of fetal rat lung type II cell origin. Subsequently, the induction of the ability to synthesize surfactant lipid became difficult to repeat. We hypothesized that the cell line was heterogenuous and some cells were more like type II cells than others. The purpose of this study was to test this hypothesis and to obtain a cultured cell line with type II cell phenotypic markers by cloning several FRLE cells and characterizing them for phenotypic markers of type II cells (alkaline phosphatase activity and presence of surfactant lipids). Thirty cloned cell lines were analyzed for induced alkaline phosphatase activity (on x-axis) and for percent of phospholipids that were disaturated (i.e., surfactant).

Synthesis and Characterization of the Adducts of Morpholinedithioccarbamate Complexes of Oxovanadium (IV, Nickel(II, and Copper(II with Piperidine and Morpholine

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Mousami Sharma

2012-01-01

Full Text Available A series of 1:1 adducts of bis(morpholinedithiocarbamato complex of VO(IV, 1:1 and 1:2 adducts of bis(morpholinedithiocarbamato complexes of Ni(II and Cu(II with piperidine and morpholine have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility, IR, UV-Vis, and TGA/DTA techniques. Analytical data reveals that VO(IV complex forms only 1:1 adducts with the formula [VO(morphdtc2L].H2O while Ni(II and Cu(II complexes form both 1:1 and 1:2 adducts with 1:1 adducts having general formula Ni(morphdtc2.L and Cu(morphdtc2.L and 1:2 adducts having general formula Ni(morphdtc2.L2 and Cu(morphdtc2.L2 (morphdtc = morpholinedithiocarbamate, L = morpholine and piperidine. Antifungal activity of some complexes has been carried out against the fungal strain Fusarium oxysporium. Thermal studies indicate a continuous weight loss. A square pyramidal geometry has been proposed for the 1:1 adducts of Ni(II and Cu(II complexes while an octahedral geometry has been proposed for the 1:1 adducts of VO(IV and for the 1:2 adducts of Ni(II and Cu(II complexes.

Molecular characterization of a nuclear topoisomerase II from Nicotiana tabacum that functionally complements a temperature-sensitive topoisomerase II yeast mutant.

Science.gov (United States)

Singh, B N; Mudgil, Yashwanti; Sopory, S K; Reddy, M K

2003-07-01

We have successfully expressed enzymatically active plant topoisomerase II in Escherichia coli for the first time, which has enabled its biochemical characterization. Using a PCR-based strategy, we obtained a full-length cDNA and the corresponding genomic clone of tobacco topoisomerase II. The genomic clone has 18 exons interrupted by 17 introns. Most of the 5' and 3' splice junctions follow the typical canonical consensus dinucleotide sequence GU-AG present in other plant introns. The position of introns and phasing with respect to primary amino acid sequence in tobacco TopII and Arabidopsis TopII are highly conserved, suggesting that the two genes are evolved from the common ancestral type II topoisomerase gene. The cDNA encodes a polypeptide of 1482 amino acids. The primary amino acid sequence shows a striking sequence similarity, preserving all the structural domains that are conserved among eukaryotic type II topoisomerases in an identical spatial order. We have expressed the full-length polypeptide in E. coli and purified the recombinant protein to homogeneity. The full-length polypeptide relaxed supercoiled DNA and decatenated the catenated DNA in a Mg(2+)- and ATP-dependent manner, and this activity was inhibited by 4'-(9-acridinylamino)-3'-methoxymethanesulfonanilide (m-AMSA). The immunofluorescence and confocal microscopic studies, with antibodies developed against the N-terminal region of tobacco recombinant topoisomerase II, established the nuclear localization of topoisomerase II in tobacco BY2 cells. The regulated expression of tobacco topoisomerase II gene under the GAL1 promoter functionally complemented a temperature-sensitive TopII(ts) yeast mutant.

A Comparison of Predictive Thermo and Water Solvation Property Prediction Tools and Experimental Data for Selected Traditional Chemical Warfare Agents and Simulants II: COSMO RS and COSMOTherm

Science.gov (United States)

2017-04-01

SELECTED TRADITIONAL CHEMICAL WARFARE AGENTS AND SIMULANTS II: COSMO-RS AND COSMOTHERM ECBC-TR-1454 Jerry B. Cabalo RESEARCH AND TECHNOLOGY...Traditional Chemical Warfare Agents and Simulants II: COSMO-RS and COSMOTherm 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER CB10115...in the ADF 2012 suite of programs for the physico- chemical properties of a set of traditional chemical warfare agents and selected simulants. To

Removal of heavy metals from aqueous phases using chemically modified waste Lyocell fiber

Energy Technology Data Exchange (ETDEWEB)

Bediako, John Kwame; Wei, Wei; Kim, Sok; Yun, Yeoung-Sang, E-mail: ysyun@jbnu.ac.kr

2015-12-15

Highlights: • Waste Lyocell fiber was chemically modified into cellulose xanthate. • The sorbent showed high affinity for Pb(II), Cd(II) and Cu(II) ions. • The sorbent also showed strong Cu(II) selectivity in Pb(II)–Cd(II)–Cu(II) ternary metal solutions. - Abstract: In this study, an outstanding performance of chemically modified waste Lyocell for heavy metals treatment is reported. The sorbent, which was prepared by a simple and concise method, was able to bind heavy metals such as Pb(II), Cu(II) and Cd(II), with very high efficiencies. The binding mechanisms were studied through adsorption and standard characterization tests such as scanning electron microscopy, energy-dispersive spectroscopy, Fourier transform infrared spectroscopy, and X-ray diffraction analyses. Adsorption kinetics was very fast and attained equilibrium within 5 min in all metals studied. The maximum single metal uptakes were 531.29 ± 0.28 mg/g, 505.64 ± 0.21 mg/g, and 123.08 ± 0.26 mg/g for Pb(II), Cd(II) and Cu(II), respectively. In ternary metal systems, Cu(II) selectivity was observed and the underlying factors were discussed. The sorbent by its nature, could be very effective in treating large volumes of wastewater with the contact of very little amount.

Identification and chemical characterization of industrial particulate matter sources in southwest Spain.

Science.gov (United States)

Alastuey, Andrés; Querol, Xavier; Plana, Feliciano; Viana, Mar; Ruiz, Carmen R; Sánchez de la Campa, Ana; de la Rosa, Jesús; Mantilla, Enrique; García dos Santos, Saul

2006-07-01

A detailed physical and chemical characterization of coarse particulate matter (PM10) and fine particulate matter (PM2.5) in the city of Huelva (in Southwestern Spain) was carried out during 2001 and 2002. To identify the major emission sources with a significant influence on PM10 and PM2.5, a methodology was developed based on the combination of: (1) real-time measurements of levels of PM10, PM2.5, and very fine particulate matter (PM1); (2) chemical characterization and source apportionment analysis of PM10 and PM2.5; and (3) intensive measurements in field campaigns to characterize the emission plumes of several point sources. Annual means of 37, 19, and 16 microg/m3 were obtained for the study period for PM10, PM2.5, and PM1, respectively. High PM episodes, characterized by a very fine grain size distribution, are frequently detected in Huelva mainly in the winter as the result of the impact of the industrial emission plumes on the city. Chemical analysis showed that PM at Huelva is characterized by high PO4(3-) and As levels, as expected from the industrial activities. Source apportionment analyses identified a crustal source (36% of PM10 and 31% of PM2.5); a traffic-related source (33% of PM10 and 29% of PM2.5), and a marine aerosol contribution (only in PM10, 4%). In addition, two industrial emission sources were identified in PM10 and PM2.5: (1) a petrochemical source, 13% in PM10 and 8% in PM2.5; and (2) a mixed metallurgical-phosphate source, which accounts for 11-12% of PM10 and PM2.5. In PM2.5 a secondary source has been also identified, which contributed to 17% of the mass. A complete characterization of industrial emission plumes during their impact on the ground allowed for the identification of tracer species for specific point sources, such as petrochemical, metallurgic, and fertilizer and phosphate production industries.

Optical and Chemical Characterization of Aerosols Produced from Cooked Meats

Science.gov (United States)

Niedziela, R. F.; Foreman, E.; Blanc, L. E.

2011-12-01

Cooking processes can release a variety compounds into the air immediately above a cooking surface. The distribution of compounds will largely depend on the type of food that is being processed and the temperatures at which the food is prepared. High temperatures release compounds from foods like meats and carry them away from the preparation surface into cooler regions where condensation into particles can occur. Aerosols formed in this manner can impact air quality, particularly in urban areas where the amount of food preparation is high. Reported here are the results of laboratory experiments designed to optically and chemically characterize aerosols derived from cooking several types of meats including ground beef, salmon, chicken, and pork both in an inert atmosphere and in synthetic air. The laboratory-generated aerosols are studied using a laminar flow cell that is configured to accommodate simultaneous optical characterization in the mid-infrared and collection of particles for subsequent chemical analysis by gas chromatography. Preliminary optical results in the visible and ultra-violet will also be presented.

X-ray methods for the chemical characterization of atmospheric aerosols

International Nuclear Information System (INIS)

Jaklevic, J.M.; Thompson, A.C.

1981-05-01

The development and use of several x-ray methods for the chemical characterization of atmospherical aerosol particulate samples are described. These methods are based on the emission, absorption, and scattering of x-ray photons with emphasis on the optimization for the non-destructive analysis of dilute specimens. Techniques discussed include photon induced energy dispersive x-ray fluorescence, extended x-ray absorption fine structure spectroscopy using synchrotron radiation and high-rate x-ray powder diffractometry using a position-sensitive gas proportional counter. These x-ray analysis methods were applied to the measurement of the chemical compositions of size-segregated aerosol particulate samples obtained with dichotomous samplers. The advantages of the various methods for use in such measurements are described and results are presented. In many cases, the complementary nature of the analytical information obtained from the various measurements is an important factor in the characterization of the sample. For example, the multiple elemental analyses obtained from x-ray fluorescence can be used as a cross check on the major compounds observed by powder diffraction

Asymmetric Ruthenium(II and Osmium(II Complexes with New Bidentate Polyquinoline Ligands. Synthesis and NMR Characterization

Directory of Open Access Journals (Sweden)

Antonino Mamo

2010-03-01

Full Text Available A series of Ru(II and Os(II tris-chelate complexes with new bidentate 2-pyridylquinoline ligands have been synthesized and fully characterized by EA,1H-NMR and FAB-MS techniques. The new ligands are: L1 = 4-p-methoxyphenyl-6-bromo-2-(2′- pyridylquinoline (mphbr-pq and L2 = 4-p-hydroxyphenyl-6-bromo-2-(2′-pyridyl-quinoline (hphbr-pq. The complexes studied are: [Ru(bpy2L1](PF62 (C1, [Ru(bpy2L2](PF62 (C2, [Os(bpy2L1](PF62 (C3, [Os(bpy2L2](PF62 (C4 (bpy = 2,2′-bipyridine, [Ru(dmbpy2L1](PF62 (C5, [Ru(dmbpy2L2](PF62 (C6, [Os(dmbpy2L1](PF62 (C7, and [Os(dmbpy2L2](PF62 (C8 (dmbpy = 4,4′-dimethyl-2,2′-bipyridine. Moreover, new functionalized complexes C9-C12 were obtained by the basecatalyzed direct alkylation of C2, C4, C6, and C8 with 6-bromo-1-hexene. The complete assignment of the 1H-NMR spectra for the two new ligands (L1 and L2, and their Ru(II or Os(II complexes has been accomplished using a combination of one- and two-dimensional NMR techniques. The JH,H values have been determined for the majority of the resonances.

Expression, purification and characterization of enoyl-ACP reductase II, FabK, from Porphyromonas gingivalis

Energy Technology Data Exchange (ETDEWEB)

Hevener, Kirk E.; Mehboob, Shahila; Boci, Teuta; Truong, Kent; Santarsiero, Bernard D.; Johnson, Michael E. (UIC)

2012-10-25

The rapid rise in bacterial drug resistance coupled with the low number of novel antimicrobial compounds in the discovery pipeline has led to a critical situation requiring the expedient discovery and characterization of new antimicrobial drug targets. Enzymes in the bacterial fatty acid synthesis pathway, FAS-II, are distinct from their mammalian counterparts, FAS-I, in terms of both structure and mechanism. As such, they represent attractive targets for the design of novel antimicrobial compounds. Enoyl-acyl carrier protein reductase II, FabK, is a key, rate-limiting enzyme in the FAS-II pathway for several bacterial pathogens. The organism, Porphyromonas gingivalis, is a causative agent of chronic periodontitis that affects up to 25% of the US population and incurs a high national burden in terms of cost of treatment. P. gingivalis expresses FabK as the sole enoyl reductase enzyme in its FAS-II cycle, which makes this a particularly appealing target with potential for selective antimicrobial therapy. Herein we report the molecular cloning, expression, purification and characterization of the FabK enzyme from P. gingivalis, only the second organism from which this enzyme has been isolated. Characterization studies have shown that the enzyme is a flavoprotein, the reaction dependent upon FMN and NADPH and proceeding via a Ping-Pong Bi-Bi mechanism to reduce the enoyl substrate. A sensitive assay measuring the fluorescence decrease of NADPH as it is converted to NADP{sup +} during the reaction has been optimized for high-throughput screening. Finally, protein crystallization conditions have been identified which led to protein crystals that diffract x-rays to high resolution.

Synthesis and Characterization of Reduced Graphene Oxide-Supported Nanoscale Zero-Valent Iron (nZVI/rGO Composites Used for Pb(II Removal

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Mingyi Fan

2016-08-01

Full Text Available Reduced graphene oxide-supported nanoscale zero-valent iron (nZVI/rGO composites were prepared by chemical deposition method and were characterized by scanning electron microscopy (SEM, X-ray diffraction (XRD, Raman spectroscopy, N2-sorption and X-ray photoelectron spectroscopy (XPS. Operating parameters for the removal process of Pb(II ions, such as temperature (20–40 °C, pH (3–5, initial concentration (400–600 mg/L and contact time (20–60 min, were optimized using a quadratic model. The coefficient of determination (R2 > 0.99 obtained for the mathematical model indicates a high correlation between the experimental and predicted values. The optimal temperature, pH, initial concentration and contact time for Pb(II ions removal in the present experiment were 21.30 °C, 5.00, 400.00 mg/L and 60.00 min, respectively. In addition, the Pb(II removal by nZVI/rGO composites was quantitatively evaluated by using adsorption isotherms, such as Langmuir and Freundlich isotherm models, of which Langmuir isotherm gave a better correlation, and the calculated maximum adsorption capacity was 910 mg/g. The removal process of Pb(II ions could be completed within 50 min, which was well described by the pseudo-second order kinetic model. Therefore, the nZVI/rGO composites are suitable as efficient materials for the advanced treatment of Pb(II-containing wastewater.

Synthesis, spectroscopic characterization, crystallographic studies and antibacterial assays of new copper(II) complexes with sulfathiazole and nimesulide

Science.gov (United States)

Nunes, Julia Helena Bormio; de Paiva, Raphael Enoque Ferraz; Cuin, Alexandre; da Costa Ferreira, Ana Maria; Lustri, Wilton Rogério; Corbi, Pedro Paulo

2016-05-01

New ternary copper(II) complexes of sulfathiazole (SFT, C9H8N3O2S2) or nimesulide (NMS, C13H11N2O5S) and 2,2‧-bipyridine (bipy) were synthesized, and characterized by chemical and spectroscopic techniques. Elemental analyses indicated a 2:1:1 sulfonamide/copper/bipy composition for both complexes. Mass spectrometric measurements permitted identifying the molecular ions [Cu(SFT)2(bipy)+H]+ and [Cu(NMS)2(bipy)+H]+ at m/z 728 and 835, respectively, confirming the proposed compositions. Crystal structure of the [Cu(SFT)2(bipy)] complex was solved by powder X-ray diffraction analysis (PXRD), attesting that the Cu(II) ion is hexacoordinated in a distorted octahedral geometry. Each SFT molecule coordinates to the metal ion by the nitrogen atoms of the SO2-N group and of the heterocyclic ring. The coordination sphere is completed by a bipyridine. Electronic paramagnetic resonance (EPR) studies were carried out for the [Cu(NMS)2(bipy)] complex, indicating a tetragonal environment around the metal ion. It was suggested that NMS coordinates to Cu(II) by the nitrogen and oxygen atoms of the SO2-N group, which was confirmed by infrared spectroscopic studies. Biological studies showed the antibacterial activity of both Cu-SFT and Cu-NMS complexes, with the minimum inhibitory concentration (MIC) values ranging from 0.10 to 0.84 mmol L-1 against Gram-negative bacteria for [Cu(SFT)2(bipy)], and from 1.50 to 3.00 mmol L-1 against Gram-positive and -negative bacteria for [Cu(NMS)2(bipy)].

Characterization and prediction of chemical functions and weight fractions in consumer products

Directory of Open Access Journals (Sweden)

Kristin K. Isaacs

Full Text Available Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chemicals from public sources and used a clustering algorithm to assign chemicals into 35 harmonized function categories (e.g., plasticizers, antimicrobials, solvents. We combined these functions with weight fraction data for 4115 personal care products (PCPs to characterize the composition of 66 different product categories (e.g., shampoos. We analyzed the combined weight fraction/function dataset using machine learning techniques to develop quantitative structure property relationship (QSPR classifier models for 22 functions and for weight fraction, based on chemical-specific descriptors (including chemical properties. We applied these classifier models to a library of 10196 data-poor chemicals. Our predictions of chemical function and composition will inform exposure-based screening of chemicals in PCPs for combination with hazard data in risk-based evaluation frameworks. As new information becomes available, this approach can be applied to other classes of products and the chemicals they contain in order to provide essential consumer product data for use in exposure-based chemical prioritization. Keywords: Chemical function, Exposure modeling, Chemical prioritization, Consumer products, Cosmetics, ExpoCast

Techniques for chemical characterization of zirconium and its alloys

International Nuclear Information System (INIS)

Iyer, K.V.; Bassan, M.K.T.; Sudersanan, M.

2002-01-01

Chemical characterization of zirconium and its alloys such as zircaloy, Zr-Nb, etc for minor and trace constituents like Nb, Ti, Fe, Cr, Ni, Sn, Al etc has been carried out. Zirconium, being a major constituent, has been determined by gravimetry as zirconium oxide while other constituents like Nb, Ti, Fe have been determined by spectrophotometric methods. Other metals of importance at trace level have been estimated by AAS or ICPAES. The judicious use of both conventional and modern instrumental methods of analysis helps in the characterization of zirconium and its alloys for various major and minor constituents. The role of matrix effect in the determination was also investigated and methods have been worked out based on a preliminary separation of zirconium by a hydroxide precipitation. (author)

Thermal and Chemical Characterization of Non-Metallic Materials Using Coupled Thermogravimetric Analysis and Infrared Spectroscopy

Science.gov (United States)

Huff, Timothy L.

2002-01-01

Thermogravimetric analysis (TGA) is widely employed in the thermal characterization of non-metallic materials, yielding valuable information on decomposition characteristics of a sample over a wide temperature range. However, a potential wealth of chemical information is lost during the process, with the evolving gases generated during thermal decomposition escaping through the exhaust line. Fourier Transform-Infrared spectroscopy (FT-IR) is a powerful analytical technique for determining many chemical constituents while in any material state, in this application, the gas phase. By linking these two techniques, evolving gases generated during the TGA process are directed into an appropriately equipped infrared spectrometer for chemical speciation. Consequently, both thermal decomposition and chemical characterization of a material may be obtained in a single sample run. In practice, a heated transfer line is employed to connect the two instruments while a purge gas stream directs the evolving gases into the FT-IR. The purge gas can be either high purity air or an inert gas such as nitrogen to allow oxidative and pyrolytic processes to be examined, respectively. The FT-IR data is collected realtime, allowing continuous monitoring of chemical compositional changes over the course of thermal decomposition. Using this coupled technique, an array of diverse materials has been examined, including composites, plastics, rubber, fiberglass epoxy resins, polycarbonates, silicones, lubricants and fluorocarbon materials. The benefit of combining these two methodologies is of particular importance in the aerospace community, where newly developing materials have little available data with which to refer. By providing both thermal and chemical data simultaneously, a more definitive and comprehensive characterization of the material is possible. Additionally, this procedure has been found to be a viable screening technique for certain materials, with the generated data useful in

Contact angle study on the activation mechanisms of sphalerite with Cu(II) and Pb(II); Estudio de los mecanismos de activacion de la esfalerita con Cu(II) y Pb(II)

Energy Technology Data Exchange (ETDEWEB)

Davila Pulido, G. I.; Uribe Salas, A.

2011-07-01

This article presents results of an experimental study on the sphalerite activation with Cu(II) and Pb(II), whose main objective was to investigate the activation mechanisms and to evaluate the magnitude of the hydrophobization achieved with both chemical species. The hydrophobicity acquired by the mineral due to the interaction with the activator and collector (sodium isopropyl xanthate) is characterized making use of the contact angle technique. The results show that Cu(II) replaces the Zn of the external layers of the mineral, promoting the sulfide (S{sup 2}-) oxidation to produce a mixture of CuS, Cu{sub 2}S and S{sup o}, of hydrophobic nature. The subsequent interaction with xanthate increases the hydrophobicity of the mineral surface. In turn, Pb(II) activation of sphalerite is due to the formation of a PbS layer that reacts with xanthate to produce hydrophobic species (e.g., PbX{sub 2}). It is also observed that the hydrophobicity of sphalerite activated with Pb(II) is favored under air atmospheres, as compared to that obtained under nitrogen atmospheres. It is concluded that the hydrophobicity achieved by lead activation may be of the same order of magnitude to that deliverately induced by copper activation. (Author) 11 refs.

Chemical characterization of fingerprints from adults and children

Energy Technology Data Exchange (ETDEWEB)

Buchanan, M.V.; Asano, K. [Oak Ridge National Lab., TN (United States); Bohanon, A. [Knoxville Police Dept., TN (United States)

1996-12-31

Observation that children`s fingerprints disappear from surfaces more quickly than adults`, initiated a study to characterize the chemical components in fingerprints. Samples were obtained from about 50 individuals ranging in age from 3 to 64 by extracting chemicals from the fingertips using rubbing alcohol. Using combined gas chromatography/mass spectrometry, a wide range of compounds were identified. Samples from children contained higher levels of relatively volatile free fatty acids, while those from adults had higher levels of less volatile long chain esters of fatty acids. These esters are thought to originate from sebaceous glands located on the face and levels of these compounds increase substantially after puberty. Also, other compounds were observed that could be used to develop improved methods for fingerprint detection at a crime scene. Further, observation of specific compounds raises the possibility of being able to identify personal traits (gender, habits, diseases, etc. ) via analysis of components in fingerprints and/or skin.

Characterization of plutonium-bearing wastes by chemical analysis and analytical electron microscopy

International Nuclear Information System (INIS)

Behrens, R.G.; Buck, E.C.; Dietz, N.L.; Bates, J.K.; Van Deventer, E.; Chaiko, D.J.

1995-09-01

This report summarizes the results of characterization studies of plutonium-bearing wastes produced at the US Department of Energy weapons production facilities. Several different solid wastes were characterized, including incinerator ash and ash heels from Rocky Flats Plant and Los Alamos National Laboratory; sand, stag, and crucible waste from Hanford; and LECO crucibles from the Savannah River Site. These materials were characterized by chemical analysis and analytical electron microscopy. The results showed the presence of discrete PuO 2 PuO 2-x , and Pu 4 O 7 phases, of about 1μm or less in size, in all of the samples examined. In addition, a number of amorphous phases were present that contained plutonium. In all the ash and ash heel samples examined, plutonium phases were found that were completely surrounded by silicate matrices. Consequently, to achieve optimum plutonium recovery in any chemical extraction process, extraction would have to be coupled with ultrafine grinding to average particle sizes of less than 1 μm to liberate the plutonium from the surrounding inert matrix

Chemical characterization of Phoma pomorum isolated from Danish maize

DEFF Research Database (Denmark)

Sørensen, Jens Laurids; Aveskamp, M.M.; Thrane, Ulf

2010-01-01

Strains of the genus Phoma are often isolated from various environmental samples including cereals and maize. In the present study we performed a chemical characterization of strains isolated from Danish samples derived from whole plant material collected at harvest. All strains were isolated using...... a recently developed isolation medium and identified morphologically as P. pomorum. This species is placed in the Phoma section Peyronellaea and strains of other members in this section were also included in the present study. Sequence analysis of the internal transcribed spacer region (ITS) grouped...... the Danish A pomorum strains with representative P. pomorum strains isolated from other sources. The metabolite production on dichloran Rose Bengal yeast extract sucrose agar (DRYES) was analyzed and the strains were clustered using an in-house Chemical Image Analysis (CIA) program. The resulting tree showed...

Synthesis, physico-chemical characterization and biological activity of 2-aminobenzimidazole complexes with different metal ions

Directory of Open Access Journals (Sweden)

Podunavac-Kuzmanović Sanja O.

2004-01-01

Full Text Available Complexes of 2-aminobenzimidazole (L with nitrates of cobalt(II nickel(II, copper (II, zinc(II and silver(I were synthesized. The molar ratio metal:ligand in the reaction of the complex formation was 1:2. It should be noticed, that the reaction of all the metal salts yielded bis(ligand complexes of the general formula M(L2(NO32 × nH2O (M=Co, Ni Cu, Zn or Ag; n=0, 1, 2 or 6. The complexes were characterized by elemental analysis of the metal, molar conductivity, magnetic susceptibility measurements and IR spectra. Co(II, Ni(II and Cu(II complexes behave as non-electrolytes, whilst Zn(II and Ag(I are 1:1 electrolytes. Cu(II complex has a square-planar stereochemistry, Ag(I complex is linear, whilst the Co(II, Ni(II and Zn(II complexes have a tetrahedral configuration. In all the complexes ligand is coordinated by participation of the pyridine nitrogen of the benzimidazole ring. The antimicrobial activity of the ligand and its complexes against Pseudomonas aeruginosa, Bacillus sp. Staphylococcus aureus and Saccharomyces cerevisiae was investigated. The effect of metal on the ligand antimicrobial activity is discussed.

Physicochemical properties of 3,4,5-trimethoxybenzoates of Mn(II, Co(II, Ni(II and Zn(II

Directory of Open Access Journals (Sweden)

W. FERENC

2005-09-01

Full Text Available The complexes of Mn(II, Co(II, Ni(II, Cu(II and Zn(II with 3,4,5-trimethoxybenzoic acid anion of the formula: M(C10H11O52·nH2O, where n = 6 for Ni(II, n = 1 for Mn(II, Co(II, Cu(II, and n = 0 for Zn, have been synthesized and characterized by elemental analysis, IR spectroscopy, X–ray diffraction measurements, thermogravimetry and magnetic studies. They are crystalline compounds characterized by various symmetry. They decompose in various ways when heated in air to 1273 K. At first, they dehydrate in one step and form anhydrous salts. The final products of decomposition are oxides of the respective metals (Mn2O3, Co3O4, NiO, CuO, ZnO. The solubilities of the analysed complexes in water at 293 K are in the orders of 10-2 – 10-4 mol dm-3. The magnetic susceptibilities of the Mn(II, Co(II, Ni(II and Cu(II complexes were measured over the range of 76–303 K and the magnetic moments were calculated. The results show that the 3,4,5-trimethoxybenzoates of Mn(II, Co(II and Ni(II are high-spin complexes but that of Cu(II forms a dimer [Cu2(C10H11O54(H2O2]. The carboxylate groups bind as monodentate or bidentate chelating or bridging ligands.

Lead (II) and nickel (II) adsorption kinetics from aqueous metal ...

African Journals Online (AJOL)

This paper discusses the kinetics of lead (II) and Nickel (II) ions adsorption from aqueous solutions using chemically modified and unmodified agricultural adsorbents at 28°C, pH 6.2 and 0.01M NaCl ionic strength. The removal of the two metals were found to increase with increase in chemical modification, the sequence ...

Session II-A. Site characterization

International Nuclear Information System (INIS)

McIntosh, W.

1981-01-01

Section II-A on Site Characterization consists of the following papers which describe the progress made during the past fiscal year toward identifying sites for high-level radioactive waste repositories in deep geologic formations: (1) progress in expanded studies for repository sites; (2) evaluation of geologic and hydrologic characteristics in the Basin and Range Province relative to high-level nuclear waste disposal; (3) siting progress: Permian region; (4) Paradox Basin site exploration: a progress report; (5) progress toward recommending a salt site for an exploratory shaft; (6) status of geologic investigations for nuclear waste disposal at the Nevada Test Site; (7) geohydrologic investigation of the Hanford Site, Washington: basalt waste isolation project. Highlights include: expanding studies in crystalline rocks, both in the Appalachian and Lake Superior regions; laying the ground work with the states in the Basin and Range Province to kick off a joint USGS-state province study; narrowing areas of the Permian and Paradox bedded salt regions to a few promising locations; issuing a Gulf Coast Salt Dome Evaluation report (ONWI-109) for public review and comment; narrowing the Nevada Test Site area and Hanford Site area to locations for detailed site investigations and exploratory shafts; progress in developing the subseabed and space disposals alternatives

Synthesis and spectral studies of manganese(II), cobalt(II), nickel(II), copper(II), zinc(II), cadmium(II) and mercury(II) complexes of 4-oxo-4H-1-benzopyran-3-carboxaldehyde hydrazone derivatives

International Nuclear Information System (INIS)

Nawar, N.; Khattab, M.A.; Bekheit, M.M.; El-Kaddah, A.H.

1996-01-01

A few complexes of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) with 4-oxo-4H-1-benzopyran-3-(carboxaldehyde-4-chlorobenzylhydrazone) (BCBH) and 4-oxo-4H-1-benzopyran-3-(carboxaldehyde-4-methylbenzylhydrazone) (BMBH) have been synthesised and characterized by elemental analysis, molar conductivities, magnetic measurements and infrared (IR) and visible spectral studies. The IR spectra show that BCBH and BMBH behave as bidentate ligands either in the keto or enol form. (author). 24 refs., 2 tabs

Technology Evaluation Workshop Report for Tank Waste Chemical Characterization

International Nuclear Information System (INIS)

Eberlein, S.J.

1994-04-01

A Tank Waste Chemical Characterization Technology Evaluation Workshop was held August 24--26, 1993. The workshop was intended to identify and evaluate technologies appropriate for the in situ and hot cell characterization of the chemical composition of Hanford waste tank materials. The participants were asked to identify technologies that show applicability to the needs and good prospects for deployment in the hot cell or tanks. They were also asked to identify the tasks required to pursue the development of specific technologies to deployment readiness. This report describes the findings of the workshop. Three focus areas were identified for detailed discussion: (1) elemental analysis, (2) molecular analysis, and (3) gas analysis. The technologies were restricted to those which do not require sample preparation. Attachment 1 contains the final workshop agenda and a complete list of attendees. An information package (Attachment 2) was provided to all participants in advance to provide information about the Hanford tank environment, needs, current characterization practices, potential deployment approaches, and the evaluation procedure. The participants also received a summary of potential technologies (Attachment 3). The workshop opened with a plenary session, describing the background and issues in more detail. Copies of these presentations are contained in Attachments 4, 5 and 6. This session was followed by breakout sessions in each of the three focus areas. The workshop closed with a plenary session where each focus group presented its findings. This report summarizes the findings of each of the focus groups. The evaluation criteria and information about specific technologies are tabulated at the end of each section in the report. The detailed notes from each focus group are contained in Attachments 7, 8 and 9

Systematic Proteomic Approach to Characterize the Impacts of Chemical Interactions on Protein and Cytotoxicity Responses to Metal Mixture Exposures

Science.gov (United States)

Chemical interactions have posed a big challenge in toxicity characterization and human health risk assessment of environmental mixtures. To characterize the impacts of chemical interactions on protein and cytotoxicity responses to environmental mixtures, we established a systems...

Biosorption of Cu (II onto chemically modified waste mycelium of Aspergillus awamori: Equilibrium, kinetics and modeling studies

Directory of Open Access Journals (Sweden)

ZDRAVKA VELKOVA

2012-01-01

Full Text Available The biosorption potential of chemically modified waste mycelium of industrial xylanase-producing strain Aspergillus awamori for Cu (II removal from aqueous solutions was evaluated. The influence of pH, contact time and initial Cu (II concentration on the removal efficiency was evaluated. Maximum biosorption capacity was reached by sodium hydroxide treated waste fungal mycelium at pH 5.0. The Langmuir adsorption equation matched very well the adsorption equilibrium data in the studied conditions. The process kinetic followed the pseudo-firs order model.

Characterizing TPS Microstructure: A Review of Some techniques

Science.gov (United States)

Gasch, Matthew; Stackpole, Mairead; Agrawal, Parul; Chavez-Garcie, Jose

2011-01-01

I. When seeking to understand ablator microstructure and morphology there are several useful techniques A. SEM 1) Visual characteriza3on at various length scales. 2) Chemical mapping by backscatter or x-ray highlights areas of interest. 3) Combined with other techniques (density, weight change, chemical analysis) SEM is a powerful tool to aid in explaining thermo/structural data. B. ASAP. 1) Chemical characteriza3on at various length scales. 2) Chemical mapping of pore structure by gas adsorption. 3) Provides a map of pore size vs. pore volume. 4) Provided surface area of exposed TPS. II. Both methods help characterize and understand how ablators react with other chemical species and provides insight into how they oxidize.

A Study of the Stability and Characterization Plutonium Dioxide and Chemical Characterization [of] Rocky Flats and Los Alamos Plutonium-Containing Incinerator Ash

International Nuclear Information System (INIS)

Ray, A.K.; Boettger, J.C.; Behrens, Robert G.

1999-01-01

In the presentation ''A Study of the Stability and Characterization of Plutonium Dioxide'', the authors discuss their recent work on actinide stabilities and characterization, in particular, plutonium dioxide PuO 2 . Earlier studies have indicated that PuO 2 has the fluorite structure of CaF 2 and typical oxide semiconductor properties. However, detailed results on the bulk electronic structure of this important actinide oxide have not been available. The authors have used all-electron, full potential linear combinations Gaussian type orbitals fitting function (LCGTO-FF) method to study PuO 2 . The LCGTO-FF technique characterized by its use of three independent GTO basis sets to expand the orbitals, charge density, and exchange-correlation integral kernels. Results will be presented on zero pressure using both the Hedin-Lundquist local density approximation (LDA) model or the Perdew-Wang generalized gradient approximation (GGA) model. Possibilities of different characterizations of PuO 2 will be explored. The paper ''Chemical Characterization Rocky Flats and Los Alamos Plutonium-Containing Incinerator Ash'' describes the results of a comprehensive study of the chemical characteristics of virgin, calcined and fluorinated incinerator ash produced at the Rocky Flats Plant and at the Los Alamos National Laboratory prior to 1988. The Rocky Flats and Los Alamos virgin, calcined, and fluorinated ashes were also dissolved using standard nitrate dissolution chemistry. Corresponding chemical evaluations were preformed on the resultant ash heel and the results compared with those of the virgin ash. Fluorination studies using FT spectroscopy as a diagnostic tool were also performed to evaluate the chemistry of phosphorus, sulfur, carbon, and silicon containing species in the ash. The distribution of plutonium and other chemical elements with the virgin ash, ash heel, fluorinated ash, and fluorinated ash heel particulates were studied in detail using microprobe analysis. Some

Application of EDTA-functionalized bamboo activated carbon (BAC) for Pb(II) and Cu(II) removal from aqueous solutions

Science.gov (United States)

Lv, Dan; Liu, Yu; Zhou, Jiasheng; Yang, Kunlun; Lou, Zimo; Baig, Shams Ali; Xu, Xinhua

2018-01-01

In this study, a novel bamboo activated carbon (BAC) with ethylene diamine tetraacetic acid (EDTA) functionality was prepared by direct grafting in the presence of tetraethyl orthosilicate (TEOS) as a crosslinking agent. The BAC@SiO2-EDTA was characterized by SEM, TEM, TGA, FTIR, XPS and its adsorption property for removal of Pb(II) and Cu(II) under various experimental conditions was also investigated. The characterization results reflected that EDTA was successfully assembled on the surface of the BAC and average pore size increased from 4.10 to 4.83 nm as BAC grafted with EDTA. Adsorption data fitted very well in Langmuir isotherm model and pseudo-second-order kinetic model. As compared with the raw BAC, the maximum adsorption capacities of BAC@SiO2-EDTA for the Pb(II) and Cu(II) increased from 45.45 to 123.45 mg g-1 and from 6.85 to 42.19 mg g-1, since the existence of EDTA on modified BAC promoted the formation of chemical complex. The removal of heavy metal ions mainly depended on the complexation with EDTA and the electrostatic attractions with negatively charged surface of BAC@SiO2-EDTA. The adsorption of Pb(II)/Cu(II) on the BAC@SiO2-EDTA was pH dependent and pH 5-6 was considered an optimum. However, lower temperature favored the adsorption and the maximum adsorption was recorded at 20 °C. In addition, BAC@SiO2-EDTA had an excellent reusability with about 40% decline in the adsorption capacity for Pb(II) after fifth reuse. Insignificant influences of co-existing cations and natural organic matter (NOM) were found on the adsorption of Pb(II) and Cu(II). All the results demonstrate that BAC@SiO2-EDTA is a potential adsorbent for metal ions in wastewater.

TRUPACT-II Content Codes (TRUCON), Revision 8 and list of chemicals and materials in TRUCON (chemical list), Revision 7

International Nuclear Information System (INIS)

1996-03-01

The Transuranic Package Transporter (TRUPACT-II) Content Codes document (TRUCON) represents the development of a new content code system for shipping contact handled transuranic (CH-TRU) waste in TRUPACT-II. It will be used to convert existing waste forms, content codes, and any other identification codes into a system that is uniform throughout for all the Department of Energy (DOE) sites. These various codes can be grouped under the newly formed shipping content codes without any loss of waste characterization information. The TRUCON document provides a parametric description for each content code for waste generated and compiles this information for all ten DOE sites. Compliance with waste generation, processing and certification procedures at the sites (outlined in the TRUCON document for each content code) ensures that prohibited waste forms are not present in the waste. The content code essentially gives a description of the CH-TRU waste material in terms of processes and packaging, and the generation location. This helps to provide cradle-to-grave traceability of the waste material so that the various actions required to assess its qualification as payload for the TRUPACT-II package can be performed

Structural characterization of chemically deposited PbS thin films

International Nuclear Information System (INIS)

Fernandez-Lima, F.A.; Gonzalez-Alfaro, Y.; Larramendi, E.M.; Fonseca Filho, H.D.; Maia da Costa, M.E.H.; Freire, F.L.; Prioli, R.; Avillez, R.R. de; Silveira, E.F. da; Calzadilla, O.; Melo, O. de; Pedrero, E.; Hernandez, E.

2007-01-01

Polycrystalline thin films of lead sulfide (PbS) grown using substrate colloidal coating chemical bath depositions were characterized by RBS, XPS, AFM and GIXRD techniques. The films were grown on glass substrates previously coated with PbS colloidal particles in a polyvinyl alcohol solution. The PbS films obtained with the inclusion of the polymer showed non-oxygen-containing organic contamination. All samples maintained the Pb:S 1:1 stoichiometry throughout the film. The amount of effective nucleation centers and the mean grain size have being controlled by the substrate colloidal coating. The analysis of the polycrystalline PbS films showed that a preferable (1 0 0) lattice plane orientation parallel to the substrate surface can be obtained using a substrate colloidal coating chemical bath deposition, and the orientation increases when a layer of colloid is initially dried on the substrate

Physical and chemical characterization of waste wood derived biochars.

Science.gov (United States)

Yargicoglu, Erin N; Sadasivam, Bala Yamini; Reddy, Krishna R; Spokas, Kurt

2015-02-01

Biochar, a solid byproduct generated during waste biomass pyrolysis or gasification in the absence (or near-absence) of oxygen, has recently garnered interest for both agricultural and environmental management purposes owing to its unique physicochemical properties. Favorable properties of biochar include its high surface area and porosity, and ability to adsorb a variety of compounds, including nutrients, organic contaminants, and some gases. Physical and chemical properties of biochars are dictated by the feedstock and production processes (pyrolysis or gasification temperature, conversion technology and pre- and post-treatment processes, if any), which vary widely across commercially produced biochars. In this study, several commercially available biochars derived from waste wood are characterized for physical and chemical properties that can signify their relevant environmental applications. Parameters characterized include: physical properties (particle size distribution, specific gravity, density, porosity, surface area), hydraulic properties (hydraulic conductivity and water holding capacity), and chemical and electrochemical properties (organic matter and organic carbon contents, pH, oxidation-reduction potential and electrical conductivity, zeta potential, carbon, nitrogen and hydrogen (CHN) elemental composition, polycyclic aromatic hydrocarbons (PAHs), heavy metals, and leachable PAHs and heavy metals). A wide range of fixed carbon (0-47.8%), volatile matter (28-74.1%), and ash contents (1.5-65.7%) were observed among tested biochars. A high variability in surface area (0.1-155.1g/m(2)) and PAH and heavy metal contents of the solid phase among commercially available biochars was also observed (0.7-83 mg kg(-1)), underscoring the importance of pre-screening biochars prior to application. Production conditions appear to dictate PAH content--with the highest PAHs observed in biochar produced via fast pyrolysis and lowest among the gasification

Speciation of Fe(II) and Fe(III) in Contaminated Aquifer Sediments Using Chemical Extraction Techniques

DEFF Research Database (Denmark)

Heron, Gorm; Crouzet, Catherine.; Bourg, Alain C. M.

1994-01-01

The iron mineralogy of aquifer sediments was described by chemical extraction techniques. Single-step extractions including 1 M CaC12, NaAc, oxalate, dithionite, Ti(II1)- EDTA, 0.5 M HC1,5 M HC1, hot 6 M HC1, and a sequential extraction by HI and CrIIHC1 were tested on standard iron minerals...... species are distinguished as AVS (acid volatile sulfide, hot 6 M HC1 extraction) and pyrite (sequential HI and CrIIHC1 extraction). By including a cold 5 M HC1 extraction, the total distribution of the major reactive Fe(I1) and Fe(II1) fractions in aquifer sediments can be assessed....

Chemical dechlorination of pesticides at a superfund site in Region II

International Nuclear Information System (INIS)

Pendergrass, S.; Prince, J.

1991-01-01

Selecting technologies for cleaning up hazardous waste sites is a complex task, due in part to the rapidly changing nature of the state-of-the-art in technology. There is strong support for use of innovative technologies as specified in Section 121(b) of CERCLA. However, use of an innovative technology requires overcoming a variety of challenges. These challenges include: Screening potentially appropriate technologies, including innovative technologies, and selecting one or more potential innovative technologies for which preliminary results are promising; however, site-specific data are needed prior to technology evaluation. Evaluating the effectiveness of the proposed technology for the site through the use of treatability studies. Gaining acceptance for the innovative technology, which may employ new or unfamiliar concepts. Determining optimal design and operating parameters for full-scale remediation. This paper discusses the technology evaluation process and how that process supported the selection of an innovative technology for the Myers Property site, a Superfund site in Region II. A case study is presented showing how technology screening and laboratory treatability studies were used to evaluate an innovative technology (chemical dechlorination), which was selected as the technology for remediation of soils and sediments contaminated with pesticides at this environmentally sensitive site in New Jersey. The remedy selected by the U.S. EPA for this site designates chemical dechlorination as the selected technology, but does not specify any particular vendor or process. Rather, the remedy sets forth technology performance standards and recommends certain design tasks which may be used to select a particular chemical process. This paper discusses he of these design tasks as they might apply to innovative technologies, using chemical dechlorination as a model

Role of VI/II ratio on the growth of ZnO nanostructures using chemical bath deposition

Energy Technology Data Exchange (ETDEWEB)

Urgessa, Z.N., E-mail: zelalem.urgessa@nmmu.ac.za [Department of Physics, P.O. Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth 6031 (South Africa); Oluwafemi, O.S. [Department of Chemistry and Chemical Technology, Walter Sisulu University, Mthatha Campus, Private Bag XI, 5117 (South Africa); Botha, J.R. [Department of Physics, P.O. Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth 6031 (South Africa)

2012-05-15

In this paper the growth process and morphological evolution of ZnO nanostructures were investigated in a series of experiments using chemical bath deposition. The experimental results indicate that the morphological evolution depends on the reaction conditions, particularly on OH{sup -} to Zn{sup 2+} ratio (which directly affects the pH). For low VI/II ratios, quasi-spherical nanoparticles of an average diameter 30 nm are obtained, whereas for larger VI/II ratios, nanorods with an average diameter less than 100 nm are produced, which indicates that by systematically controlling the VI/II ratio, it is possible to produce different shapes and sizes of ZnO nanostructures. A possible mechanism for the nanostructural change of the as-synthesized ZnO from particle to rod was elucidated based on the relative densities of H{sup +} and OH{sup -} in the solution.

Role of VI/II ratio on the growth of ZnO nanostructures using chemical bath deposition

International Nuclear Information System (INIS)

Urgessa, Z.N.; Oluwafemi, O.S.; Botha, J.R.

2012-01-01

In this paper the growth process and morphological evolution of ZnO nanostructures were investigated in a series of experiments using chemical bath deposition. The experimental results indicate that the morphological evolution depends on the reaction conditions, particularly on OH − to Zn 2+ ratio (which directly affects the pH). For low VI/II ratios, quasi-spherical nanoparticles of an average diameter 30 nm are obtained, whereas for larger VI/II ratios, nanorods with an average diameter less than 100 nm are produced, which indicates that by systematically controlling the VI/II ratio, it is possible to produce different shapes and sizes of ZnO nanostructures. A possible mechanism for the nanostructural change of the as-synthesized ZnO from particle to rod was elucidated based on the relative densities of H + and OH − in the solution.

Synthesis, characterization and DNA cleavage activity of nickel(II adducts with aromatic heterocyclic bases

Directory of Open Access Journals (Sweden)

G. H. PHILIP

2010-01-01

Full Text Available Mixed ligand complexes of nickel(II with 2,4-dihydroxyaceto-phenone oxime (DAPO and 2,4-dihydroxybenzophenone oxime (DBPO as primary ligands, and pyridine (Py and imidazole (Im as secondary ligands were synthesized and characterized by molar conductivity, magnetic moments measurements, as well as by electronic, IR, and 1H-NMR spectroscopy. Electrochemical studies were performed by cyclic voltammetry. The active signals are assignable to the NiIII/II and NiII/I redox couples. The binding interactions between the metal complexes and calf thymus DNA were investigated by absorption and thermal denaturation. The cleavage activity of the complexes was determined using double-stranded pBR322 circular plasmid DNA by gel electrophoresis. All complexes showed increased nuclease activity in the presence of the oxidant H2O2. The nuclease activities of mixed ligand complexes were compared with those of the parent copper(II complexes.

Preparation, spectroscopic, thermal, antihepatotoxicity, hematological parameters and liver antioxidant capacity characterizations of Cd(II), Hg(II), and Pb(II) mononuclear complexes of paracetamol anti-inflammatory drug

Science.gov (United States)

El-Megharbel, Samy M.; Hamza, Reham Z.; Refat, Moamen S.

2014-10-01

Keeping in view that some metal complexes are found to be more potent than their parent drugs, therefore, our present paper aimed to synthesized Cd(II), Hg(II) and Pb(II) complexes of paracetamol (Para) anti-inflammatory drug. Paracetamol complexes with general formula [M(Para)2(H2O)2]·nH2O have been synthesized and characterized on the basis of elemental analysis, conductivity, IR and thermal (TG/DTG), 1H NMR, electronic spectral studies. The conductivity data of these complexes have non-electrolytic nature. Comparative antimicrobial (bacteria and fungi) behaviors and molecular weights of paracetamol with their complexes have been studied. In vivo the antihepatotoxicity effect and some liver function parameters levels (serum total protein, ALT, AST, and LDH) were measured. Hematological parameters and liver antioxidant capacities of both Para and their complexes were performed. The Cd2+ + Para complex was recorded amelioration of antioxidant capacities in liver homogenates compared to other Para complexes treated groups.

EXAFS characterization of supported metal catalysts in chemically dynamic environments

International Nuclear Information System (INIS)

Robota, H.J.

1991-01-01

Characterization of catalysts focuses on the identification of an active site responsible for accelerating desirable chemical reactions. The identification, characterization, and selective modification of such sites is fundamental to the development of structure-function relationships. Unfortunately, this goal is far from realized in nearly all catalysts, and particularly in catalysts comprised of small supported metal particles. X-ray absorption spectroscopy (XAS) has had a dramatic effect on our understanding of supported metal particles in their resting state. However, the performance of a catalyst can not be assessed from such simple resting state measurements. Among the factors which influence catalyst performance are the exact catalyst composition, including the support and any modifiers; particle size; catalyst finishing and pretreatment conditions; pressure, composition, and temperature of the operating environment; time. Gaining an understanding of how the structure of a catalytic site can change with such an array of variables requires that we begin to develop measurement methods which are effective under chemically dynamic conditions. Ideally, it should be possible to obtain a full X-ray absorption spectrum of each element thought to have a causal relationship with observed catalyst properties. From these spectra, we can optimally extract only a relatively limited amount of information which we must then piece together with information derived from other characterization methods and intuition to arrive at a hypothetical structure of the operating catalyst. Information about crystallinity, homogeneity, and general disorder can be obtained from the Debye-Waller factor. Finally, through analogy with known compounds, the electronic structure of the active atoms can be inferred from near edge absorption features

Xenobiotic metabolism capacities of human skin in comparison with a 3D-epidermis model and keratinocyte-based cell culture as in vitro alternatives for chemical testing: phase II enzymes.

Science.gov (United States)

Götz, Christine; Pfeiffer, Roland; Tigges, Julia; Ruwiedel, Karsten; Hübenthal, Ulrike; Merk, Hans F; Krutmann, Jean; Edwards, Robert J; Abel, Josef; Pease, Camilla; Goebel, Carsten; Hewitt, Nicola; Fritsche, Ellen

2012-05-01

The 7th Amendment to the EU Cosmetics Directive prohibits the use of animals in cosmetic testing for certain endpoints, such as genotoxicity. Therefore, skin in vitro models have to replace chemical testing in vivo. However, the metabolic competence neither of human skin nor of alternative in vitro models has so far been fully characterized, although skin is the first-pass organ for accidentally or purposely (cosmetics and pharmaceuticals) applied chemicals. Thus, there is an urgent need to understand the xenobiotic-metabolizing capacities of human skin and to compare these activities to models developed to replace animal testing. We have measured the activity of the phase II enzymes glutathione S-transferase, UDP-glucuronosyltransferase and N-acetyltransferase in ex vivo human skin, the 3D epidermal model EpiDerm 200 (EPI-200), immortalized keratinocyte-based cell lines (HaCaT and NCTC 2544) and primary normal human epidermal keratinocytes. We show that all three phase II enzymes are present and highly active in skin as compared to phase I. Human skin, therefore, represents a more detoxifying than activating organ. This work systematically compares the activities of three important phase II enzymes in four different in vitro models directly to human skin. We conclude from our studies that 3D epidermal models, like the EPI-200 employed here, are superior over monolayer cultures in mimicking human skin xenobiotic metabolism and thus better suited for dermatotoxicity testing. © 2012 John Wiley & Sons A/S.

Application of Zr/Ti-Pic in the adsorption process of Cu(II), Co(II) and Ni(II) using adsorption physico-chemical models and thermodynamics of the process; Aplicacao de Zr/Ti-PILC no processo de adsorcao de Cu(II), Co(II) e Ni(II) utilizando modelos fisico-quimicos de adsorcao e termodinamica do processo

Energy Technology Data Exchange (ETDEWEB)

Guerra, Denis Lima; Airoldi, Claudio [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica. Dept. de Quimica Inorganica]. E-mail: dlguerra@iqm.unicamp.br; Lemos, Vanda Porpino; Angelica, Romulo Simoes [Universidade Federal do Para (UFPa), Belem (Brazil); Viana, Rubia Ribeiro [Universidade Federal do Mato Grosso (UFMT), Cuiaba (Brazil). Inst. de Ciencias Exatas e da Terra. Dept. de Recursos Minerais

2008-07-01

The aim of this investigation is to study how Zr/Ti-Pic adsorbs metals. The physico-chemical proprieties of Zr/Ti-Pic have been optimized with pillarization processes and Cu(II), Ni(II) and Co(II) adsorption from aqueous solution has been carried out, with maximum adsorption values of 8.85, 8.30 and 7.78 x-1 mmol g{sup -1}, respectively. The Langmuir, Freundlich and Temkin adsorption isotherm models have been applied to fit the experimental data with a linear regression process. The energetic effect caused by metal interaction was determined through calorimetric titration at the solid-liquid interface and gave a net thermal effect that enabled the calculation of the exothermic values and the equilibrium constant. (author)

Fabrication, characterization and sensing properties of Cu(II) ion imprinted sol–gel thin film on QCM

International Nuclear Information System (INIS)

Su, Pi-Guey; Hung, Fang-Chieh; Lin, Po-Hung

2012-01-01

Cu(II)-molecularly imprinted sol–gel films (Cu(II)-MISGF), coated on a quartz crystal microbalance (QCM) chip, were fabricated using a sol–gel procedure. Co-hydrolysis and co-condensation of Cu(II) (templates), 3-aminopropyltrimethoxysilane (APTS, functional monomer) and tetraethoxysilane (TEOS, cross-linking agent) were performed with acid and base catalysis. The properties of the Cu(II)-MISGF were characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and the electrochemical methods of cyclic voltammetry (CV). Microstructural observations revealed that the acid-catalyzed system yielded more mechanically stable thin films. A combined Cu(II)-MISGF-QCM with flow injection analysis (FIA) method was utilized to investigate the sensing performance of the Cu(II)-MISGF, with special emphasis on the most important properties of sensitivity, selectivity and response time. The Cu(II)-MISGF-QCM sensor, at a TEOS/APTS molar ratio of 10, exhibited excellent selectivity and rapidly responded to Cu(II) ions. - Highlights: ► A Cu(II)-molecularly imprinted sol–gel thin film on chip was fabricated. ► The thin film had mechanical stability using acidic catalyst. ► The thin film had good selectivity and response time for Cu(II) ions.

Engineering characterization of ground motion. Task II: Soil structure interaction effects on structural response

Energy Technology Data Exchange (ETDEWEB)

Luco, J E; Wong, H L [Structural and Earthquake Engineering Consultants, Inc., Sierra Madre, CA (United States); Chang, C -Y; Power, M S; Idriss, I M [Woodward-Clyde Consultants, Walnut Creek, CA (United States)

1986-08-01

This report presents the results of part of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. The overall objective of this research program sponsored by the U.S. Nuclear Regulatory Commission (USNRC) is to develop recommendations for methods for selecting design response spectra or acceleration time histories to be used to characterize motion at the foundation level of nuclear power plants. Task I of the study, which is presented in Vol. 1 of NUREG/CR-3805, developed a basis for selecting design response spectra taking into account the characteristics of free-field ground motion found to be significant in causing structural damage. Task II incorporates additional considerations of effects of spatial variations of ground motions and soil-structure interaction on foundation motions and structural response. The results of Task II are presented in Vols. 2 through of NUREG/CR-3805 as follows: Vol. 2 effects of ground motion characteristics on structural response considering localized structural nonlinearities and soil-structure interaction effects; Vol. 3 observational data on spatial variations of earthquake ground motions; Vol. 4 soil-structure interaction effects on structural response; and Vol. 5, summary based on Tasks I and II studies. This report presents the results of the Vol. 4 studies.

Micellar effect on metal-ligand complexes of Co(II, Ni(II, Cu(II and Zn(II with citric acid

Directory of Open Access Journals (Sweden)

Nageswara Rao Gollapalli

2009-12-01

Full Text Available Chemical speciation of citric acid complexes of Co(II, Ni(II, Cu(II and Zn(II was investigated pH-metrically in 0.0-2.5% anionic, cationic and neutral micellar media. The primary alkalimetric data were pruned with SCPHD program. The existence of different binary species was established from modeling studies using the computer program MINIQUAD75. Alkalimetric titrations were carried out in different relative concentrations (M:L:X = 1:2:5, 1:3:5, 1:5:3 of metal (M to citric acid. The selection of best chemical models was based on statistical parameters and residual analysis. The species detected were MLH, ML2, ML2H and ML2H2. The trend in variation of stability constants with change in mole fraction of the medium is explained on the basis of electrostatic and non-electrostatic forces. Distributions of the species with pH at different compositions of micellar media are also presented.

IR, UV-Vis, magnetic and thermal characterization of chelates of some catecholamines and 4-aminoantipyrine with Fe(III) and Cu(II)

Science.gov (United States)

Mohamed, Gehad G.; Zayed, M. A.; El-Dien, F. A. Nour; El-Nahas, Reham G.

2004-07-01

The dopamine derivatives participate in the regulation of wide variety of physiological functions in the human body and in medication life. Increase and/or decrease in the concentration of dopamine in human body reflect an indication for diseases such as Schizophrenia and/or Parkinson diseases. α-Methyldopa (α-MD) in tablets is used in medication of hypertension. The Fe(III) and Cu(II) chelates with coupled products of adrenaline hydrogen tartarate (AHT), levodopa (LD), α-MD and carbidopa (CD) with 4-aminoantipyrine (4-AAP) are prepared and characterized. Different physico-chemical methods like IR, magnetic and UV-Vis spectra are used to investigate the structure of these chelates. Fe(III) form 1:2 (M:catecholamines) chelates while Cu(II) form 1:1 chelates. Catecholamines behave as a bidentate mono- or dibasic ligands in binding to the metal ions. IR spectra show that the catecholamines are coordinated to the metal ions in a bidentate manner with O,O donor sites of the phenolic - OH. Magnetic moment measurements reveal the presence of Fe(III) chelates in octahedral geometry while the Cu(II) chelates are square planar. The thermal decomposition of Fe(III) and Cu(II) complexes is studied using thermogravimetric (TGA) and differential thermal analysis (DTA) techniques. The water molecules are removed in the first step followed immediately by decomposition of the ligand molecules. The activation thermodynamic parameters, such as, energy of activation, enthalpy, entropy and free energy change of the complexes are evaluated and the relative thermal stability of the complexes are discussed.

Sandia National Laboratories Chemical Waste Landfill: Innovative strategies towards characterization and remediation

International Nuclear Information System (INIS)

Ardito, Cynthia P.; Parsons, Alva M.; Lindgren, Eric R.; Phelan, James M.; Mattson, Earl D.

1992-01-01

The Chemical Waste Landfill (CWL) was used by Sandia National Laboratories (SNL), Albuquerque for disposal of hazardous chemicals from the years 1962 to 1985. During routine sampling in the spring of 1990, low levels of trichloroethylene (TCE) were detected in groundwater samples from a water table aquifer approximately 146 meters below ground surface. Therefore, a RCRA Site Investigation (RSI) has been initiated and remediation of organic contaminants will be performed at the CWL prior to closure of this landfill. The RSI is focused on optimal characterization of the volatile organic contamination (VOC) and dense non-aqueous phase liquid (DNAPL) contamination at this site. This will be possible through application of innovative strategies for characterization and promising new technologies which are discussed in this paper. The first part of this paper provides a discussion of conceptual models of VOC and DNAPL transport at the CWL and an overview of our investigative strategy. Each stage of the RSI has been developed to gather information which will reduce the uncertainty in the design of each subsequent phase of the investigation. Three stages are described; a source characterization stage, unsaturated zone characterization stage, and a saturated zone characterization stage. An important focus of the unsaturated zone characterization phase is to provide all data necessary to make decisions concerning the necessity of additional saturated zone characterization. The second part of this paper presents a brief discussion of some innovative approaches to characterization and remediation that are being applied at the CWL. Through the. SNL Environmental Restoration Program's desire to find new and improved methods for site characterization and remediation, several innovative technologies have been identified. These technologies include: the surface towed arrays developed by the Naval Research Laboratory for use in locating buried ordinance, core drilling using sonic

Platinum(II/palladium(II complexes with n-propyldithiocarbamate and 2,2′-bipyridine: synthesis, characterization, biological activity and interaction with calf thymus DNA

Directory of Open Access Journals (Sweden)

Hassan Mansouri-Torshizi

2014-12-01

Full Text Available Two Pd(II and Pt(II complexes ([Pt(bpy(pr-dtc]Br and [Pd(bpy(pr-dtc]Br, where bpy=2, 2′-bipyridine and pr-dtc = n-propyldithiocarbamate were synthesized and characterized by elemental analysis (CHN, molar conductivity measurements, Fourier transform infrared, 1H nuclear magnetic resonance and UV–visible techniques. In these complexes, the dithiocarbamato ligand coordinates to Pt(II or Pd(II center as bidentate with two sulfur atoms. The binding of these complexes to calf thymus DNA (CT-DNA was investigated using various physicochemical methods such as spectrophotometric, spectrofluorometric and gel filtration technique. The experimental results indicate that Pt(II and Pd(II complexes interact with CT-DNA in the intercalative mode. Both complexes unexpectedly denatured DNA at low concentration. Gel filtration studies indicated that the binding of complexes with DNA is strong enough and does not break readily. The cytotoxic activity of these metal complexes has been tested against human cell tumor lines (K562 and revealed much lower 50% cytotoxic concentration (Cc50 less than that of cisplatin. Several binding and thermodynamic parameters are also described.

Adding the s-Process Element Cerium to the APOGEE Survey: Identification and Characterization of Ce II Lines in the H-band Spectral Window

Science.gov (United States)

Cunha, Katia; Smith, Verne V.; Hasselquist, Sten; Souto, Diogo; Shetrone, Matthew D.; Allende Prieto, Carlos; Bizyaev, Dmitry; Frinchaboy, Peter; García-Hernández, D. Anibal; Holtzman, Jon; Johnson, Jennifer A.; Jőnsson, Henrik; Majewski, Steven R.; Mészáros, Szabolcs; Nidever, David; Pinsonneault, Mark; Schiavon, Ricardo P.; Sobeck, Jennifer; Skrutskie, Michael F.; Zamora, Olga; Zasowski, Gail; Fernández-Trincado, J. G.

2017-08-01

Nine Ce II lines have been identified and characterized within the spectral window observed by the Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey (between λ1.51 and 1.69 μm). At solar metallicities, cerium is an element that is produced predominantly as a result of the slow capture of neutrons (the s-process) during asymptotic giant branch stellar evolution. The Ce II lines were identified using a combination of a high-resolution (R=λ /δ λ ={{100,000}}) Fourier Transform Spectrometer (FTS) spectrum of α Boo and an APOGEE spectrum (R = 22,400) of a metal-poor, but s-process enriched, red giant (2M16011638-1201525). Laboratory oscillator strengths are not available for these lines. Astrophysical gf-values were derived using α Boo as a standard star, with the absolute cerium abundance in α Boo set by using optical Ce II lines that have precise published laboratory gf-values. The near-infrared Ce II lines identified here are also analyzed, as consistency checks, in a small number of bright red giants using archival FTS spectra, as well as a small sample of APOGEE red giants, including two members of the open cluster NGC 6819, two field stars, and seven metal-poor N- and Al-rich stars. The conclusion is that this set of Ce II lines can be detected and analyzed in a large fraction of the APOGEE red giant sample and will be useful for probing chemical evolution of the s-process products in various populations of the Milky Way.

Competition from Cu(II), Zn(II) and Cd(II) in Pb(II) binding to Suwannee River Fulvic Acid

NARCIS (Netherlands)

Chakraborty, P.; Chakrabarti, C.L.

2008-01-01

This is a study of trace metal competition in the complexation of Pb(II) by well-characterized humic substances, namely Suwannee River Fulvic Acid (SRFA) in model solutions. It was found that Cu(II) seems to compete with Pb(II) for strong binding sites of SRFA when present at the same concentration

CHEMICAL AND PHYSICAL CHARACTERIZATION OF COLLAPSING LOW-MASS PRESTELLAR DENSE CORES

Energy Technology Data Exchange (ETDEWEB)

Hincelin, U. [Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States); Commerçon, B. [Ecole Normale Supérieure de Lyon, CRAL, UMR 5574 du CNRS, Université Lyon I, 46 Allée d’Italie, F-69364 Lyon cedex 07 (France); Wakelam, V.; Hersant, F.; Guilloteau, S. [Univ. Bordeaux, LAB, UMR 5804, F-33270, Floirac (France); Herbst, E., E-mail: ugo.hincelin@gmail.com [Departments of Chemistry and Astronomy, University of Virginia, Charlottesville, VA 22904 (United States)

2016-05-01

The first hydrostatic core, also called the first Larson core, is one of the first steps in low-mass star formation as predicted by theory. With recent and future high-performance telescopes, the details of these first phases are becoming accessible, and observations may confirm theory and even present new challenges for theoreticians. In this context, from a theoretical point of view, we study the chemical and physical evolution of the collapse of prestellar cores until the formation of the first Larson core, in order to better characterize this early phase in the star formation process. We couple a state-of-the-art hydrodynamical model with full gas-grain chemistry, using different assumptions for the magnetic field strength and orientation. We extract the different components of each collapsing core (i.e., the central core, the outflow, the disk, the pseudodisk, and the envelope) to highlight their specific physical and chemical characteristics. Each component often presents a specific physical history, as well as a specific chemical evolution. From some species, the components can clearly be differentiated. The different core models can also be chemically differentiated. Our simulation suggests that some chemical species act as tracers of the different components of a collapsing prestellar dense core, and as tracers of the magnetic field characteristics of the core. From this result, we pinpoint promising key chemical species to be observed.

Microstructural and chemical characterization of cladding material zirconia scales

International Nuclear Information System (INIS)

Cadalbert, R.; Boulanger, L.; Lansiart, S.; Silvestre, G.; Juliet, P.

1991-01-01

Uniform corrosion of Zircaloy-4 in PWR conditions depends both on the microstructure of the material and on its precise chemical composition. For a good understanding of the influence of the different parameters which are involved in the oxidation mechanisms, a detailed characterization of the oxide scale and the underlying metal is needed. The results on the alloying elements distribution in the oxide and the metal obtained by electron probe Microanalysis and Secondary Ion Mass Spectrometry as well as the TEM observations on the oxide crystal structure and the metal oxide interface are reported

PHYSICO-CHEMICAL CHARACTERIZATION OF POLYMERIC FILMS USED IN OPHTHALMOLOGY

Directory of Open Access Journals (Sweden)

Ioan Emanuel STAVARACHE

2017-03-01

Full Text Available The aim of the present work was to characterize the surface properties of (polymethylmethacrylate (PMMA foils used in ophathalmological applications. Thus, the morphology, chemical composition and surface energy of these PMMA foils are analyzed, by specific measurements, at the interface with different test liquids of interest in ophthalmology, i.e. distilled H2 O, physiological serum and ophthalmic solution of ReNu Multiplus, used for contact lens cleaning, hydration and disinfection. Also, a solution of Nostamine, known as a drug used in eye irritation and conjunctival inflammation, was tested.

Preparations and characterization of some carbonyl-(1-cyanoethyl)ruthenium(II) complexes

Energy Technology Data Exchange (ETDEWEB)

Hiraki, Katsuma; Ochi, Naoyuki; Kitamura, Tsuneyuki; Sasada, Yoko [Nagasaki Univ. (Japan); Shinoda, Sumio

1982-08-01

A hydridoruthenium(II) complex (RuClH(CO)(PPh/sub 3/)/sub 3/) reacted easily with acrylonitrile and fumaronitrile to give chloro-bridged binuclear (1-cyanoethyl)ruthenium(II) complexes, ((Ru(MeCHCN)Cl(CO)(PPh/sub 3/)/sub 2/)/sub 2/) (2) and ((Ru(NCCH/sub 2/CHCN)Cl(CO)(PPh/sub 3/)/sub 2/)/sub 2/), respectively. Complex 2 reacted with 4-picoline (pic), Na(BHPz/sub 3/) (Pz = 1-pyrazolyl), Na(BPz/sub 4/), and Na(Et/sub 2/NCS/sub 2/).3H/sub 2/O to afford the corresponding (1-cyanoethyl)ruthenium(II) complexes, ((Ru(MeCHCN)Cl(CO)(pic)(PPh/sub 3/))/sub 2/) (3), (Ru(MeCHCN)(BHPz/sub 3/)(CO)(PPh/sub 3/)) (accompanied by a small amount of (Ru/sub 2/(MeCHCN)/sub 2/Cl(BHPz/sub 3/)(CO)/sub 2/(PPh/sub 3/)/sub 4/)), (Ru/sub 2/(MeCHCN)/sub 2/Cl(BPz/sub 4/)(CO)/sub 2/(PPh/sub 3/)/sub 2/), and Na(Ru(MeCHCN)Cl(Et/sub 2/NCS/sub 2/)(CO)(PPh/sub 3/)), respectively. Complex 3 reacted with thallium (I) acetylacetonate (Tl(acac)), resulting in the formation of ((Ru(MeCHCN)(acac)(CO)(PPh/sub 3/))/sub 2/) and (Ru(MeCHCN)(acad)(CO)(pic)(PPh/sub 3/)). These new complexes were characterized by means of elemental analysis and spectroscopic data. The diastereoisomerism was also discussed as regards these (1-cyanoethyl)ruthenium(II) complexes.

Synthesis and characterization of monomeric and polymeric Cu(II) complexes of 3,4-ethylenedioxythiophene-functionalized with cyclam ligand

International Nuclear Information System (INIS)

Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R.M. Gamini; Bandara, H.M.N.; Shimomura, Masaru

2010-01-01

A functionalized EDOT derivative with 1,4,8,11-tetraazacyclotetradecane (cyclam) ligand pendant to the ethylene bridge (4) and its complexes [M(4)(BF 4 ) 2 ], where M(II) = Cu(II), was prepared and characterized. Their electrochemical copolymerization with EDOT was studied. The electro-co-polymerized films were characterized by electrochemical methods, X-ray photoelectron spectroscopy and by X-ray fluorescence spectroscopy. The co-polymerization method was found to afford a good control of the metal concentration in the polymer matrix and represents a good technique for preparing electronically conductive polymers containing redox-active metal complexes.

A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor.

Science.gov (United States)

Bryant, M J; Skelton, J M; Hatcher, L E; Stubbs, C; Madrid, E; Pallipurath, A R; Thomas, L H; Woodall, C H; Christensen, J; Fuertes, S; Robinson, T P; Beavers, C M; Teat, S J; Warren, M R; Pradaux-Caggiano, F; Walsh, A; Marken, F; Carbery, D R; Parker, S C; McKeown, N B; Malpass-Evans, R; Carta, M; Raithby, P R

2017-11-27

Selective, robust and cost-effective chemical sensors for detecting small volatile-organic compounds (VOCs) have widespread applications in industry, healthcare and environmental monitoring. Here we design a Pt(II) pincer-type material with selective absorptive and emissive responses to methanol and water. The yellow anhydrous form converts reversibly on a subsecond timescale to a red hydrate in the presence of parts-per-thousand levels of atmospheric water vapour. Exposure to methanol induces a similarly-rapid and reversible colour change to a blue methanol solvate. Stable smart coatings on glass demonstrate robust switching over 10 4 cycles, and flexible microporous polymer membranes incorporating microcrystals of the complex show identical vapochromic behaviour. The rapid vapochromic response can be rationalised from the crystal structure, and in combination with quantum-chemical modelling, we provide a complete microscopic picture of the switching mechanism. We discuss how this multiscale design approach can be used to obtain new compounds with tailored VOC selectivity and spectral responses.

Radiological and chemical characterization report for the planned Quarry Construction Staging Area and Water Treatment Plant: Revision 1

International Nuclear Information System (INIS)

1989-03-01

The Quarry Construction Staging Area and Water Treatment Plant (QCSA) will be used in the support of the bulk waste removal of the Weldon Spring Quarry. Radiological and chemical characterization was performed on a 12 acre site where the QCSA will be constructed. The characterization revealed approximately .5 acres of radiologically contaminated land. No chemical contamination was found. 8 refs., 5 figs., 7 tabs

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

Energy Technology Data Exchange (ETDEWEB)

Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avcı, Davut; Atalay, Yusuf

2015-11-15

A cobalt(II) complex of picolinate was synthesized, and its structure was fully characterized by the applying of X-ray diffraction method as well as FT-IR, FT-Raman and UV–vis spectroscopies. In order to both support the experimental results and convert study to more advanced level, density functional theory calculations were performed by using B3LYP level. Single crystal X-ray structural analysis shows that cobalt(II) ion was located to the center of distorted octahedral geometry. The C=O, C=C and C=N stretching vibrations were found as highly active and strong peaks, inducing the molecular charge transfer within Co(II) complex. The small energy gap between frontier molecular orbital energies was another indicator of molecular charge transfer interactions within Co(II) complex. The nonlinear optical properties of Co(II) complex were investigated at DFT/B3LYP level, and the hypepolarizability parameter was found to be decreased due to the presence of inversion symmetry. The natural bond orbital (NBO) analysis was performed to investigate molecular stability, hyperconjugative interactions, intramolecular charge transfer (ICT) and bond strength for Co(II) complex. Finally, molecular electrostatic potential (MEP) and spin density distributions for Co(II) complex were evaluated. - Highlights: • Co(II) complex of picolinate was prepared. • Its FT-IR, FT-Raman and UV–vis spectra were measured. • DFT calculations were performed to support experimental results. • Small HOMO-LUMO energy gap is an indicator of molecular charge transfer. • Spin density localized on Co(II) as well as O and N atoms.

Evaluation of CNTs/MnO{sub 2} composite for adsorption of {sup 60}Co(II), {sup 65}Zn(II) and Cd(II) ions from aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Sharaf El-Deen, Sahar E.A.; Moussa, Saber I.; Mekawy, Zakaria A.; Shehata, Mohamed K.K.; Someda, Hanan H. [Atomic Energy Authority, Inshas (Egypt). Dept. of Nuclear Chemistry; Sadeek, Sadeek A. [Zagazig Univ. (Egypt). Dept. of Chemistry

2017-03-01

CNTs/MnO{sub 2} composite was synthesized by a co-precipitation method after preparation of carbon nanotubes (CNTs) using a chemical oxidation method and was characterized using Fourier transformer infrared (FT-IR), X-ray diffraction (XRD) and scanning electron microscope (SEM). The synthesized CNTs/MnO{sub 2} composite was used as a sorbent for the removal of some radionuclides ({sup 60}Co and {sup 65}Zn-radioisotopes) and Cd (II) ions from aqueous solutions. Different parameters affecting the removal process including pH, contact time and metal ion concentration were investigated. Isotherm and kinetic models were studied. Adsorption data was interpreted in terms of both Freundlich and Langmuir isotherms and indicated that the CNTs/MnO{sub 2} composite complied well with both Langmuir and Freundlich models for {sup 60}Co and Cd(II) ions and with the Freundlich model only for the {sup 65}Zn radioisotope. A pseudo-second-order model was effectively employed to describe the adsorption behavior of {sup 60}Co, {sup 65}Zn and Cd(II) ions. Desorption of {sup 60}Co and {sup 65}Zn and Cd(II) ions from loaded samples was studied using different eluents.

Isomer shifts and chemical bonding in crystalline Sn(II) and Sn(IV) compounds

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1991-01-01

First-principles self-consistent Local Density calculations of the electronic structure of clusters representing Sn(II) (SnO, SnF 2 , SnS, SnSe) and Sn(IV) (SnO 2 , SnF 4 ) crystalline compounds were performed. Values of the electron density at the Sn nucleus were obtained and related to measured values of the Moessbauer Isomer Shifts reported in the literature. The nuclear parameter of 119 Sn derived was ΔR/R=(1.58±0.14)x10 -4 . The chemical bonding in the solids was analysed and related to the electron densities obtained. (author)

Integration of optical and chemical parameters to improve the particulate matter characterization

Science.gov (United States)

Perrone, M. R.; Romano, S.; Genga, A.; Paladini, F.

2018-06-01

Integrating nephelometer measurements have been combined with co-located in space and time PM10 and PM1 mass concentration measurements to highlight the benefits of integrating aerosol optical properties with the chemical speciation of PM1 and PM10 samples. Inorganic ions (SO42-, NO3-, NH4+, Cl-, Na+, K+, Mg2+, and Ca2+), metals (Fe, Al, Zn, Ti, Cu, V, Mn, and Cr), and the elemental and organic carbon (EC and OC, respectively) have been monitored to characterize the chemical composition of PM1 and PM10 samples, respectively. The scattering coefficient (σp) at 450 nm, the scattering Ångström coefficient (Å) calculated at the 450-635 nm wavelength pair, and the scattering Ångström coefficient difference (ΔÅ) retrieved from nephelometer measurements have been used to characterize the optical properties of the particles at the surface. The frequency distribution of the Å daily means during the one-year monitoring campaign, performed at a southeastern Italian site, has allowed identifying three main Å variability ranges: Å ≤ 0.8, 0.8 1.2. We found that σp and ΔÅ mean values and the mean chemical composition of the PM1 and PM10 samples varied with the Å variability range. σp and ΔÅ reached the highest (149 Mm-1) and the smallest (0.16) mean value, respectively, on the days characterized by Å > 1.2. EC, SO42-, and NH4+ mean mass percentages also reached the highest mean value on the Å > 1.2 days, representing on average 8.4, 9.8, and 4.2%, respectively, of the sampled PM10 mass and 12.4, 10.6, and 7.7%, respectively, of the PM1 mass. Conversely, σp and ΔÅ mean values were equal to 85 Mm-1 and 0.55, respectively, on the days characterized by Å ≤ 0.8 and the EC, SO42-, and NH4+ mean mass percentages reached smaller values on the Å ≤ 0.8 days, representing 4.5, 6.0, and 1.9% of the PM10 mass and 9.4, 7.3, and 5.8% of the PM1 mass, respectively. Primary and secondary OC (POC and SOC, respectively) contributions also varied with the �

Characterization of hearing loss in aged type II diabetics

Science.gov (United States)

Frisina, Susan T.; Mapes, Frances; Kim, SungHee; Frisina, D. Robert; Frisina, Robert D.

2009-01-01

Presbycusis – age-related hearing loss – is the number one communicative disorder and a significant chronic medical condition of the aged. Little is known about how type II diabetes, another prevalent age-related medical condition, and presbycusis interact. The present investigation aimed to comprehensively characterize the nature of hearing impairment in aged type II diabetics. Hearing tests measuring both peripheral (cochlea) and central (brainstem and cortex) auditory processing were utilized. The majority of differences between the hearing abilities of the aged diabetics and their age-matched controls were found in measures of inner ear function. For example, large differences were found in pure-tone audiograms, wideband noise and speech reception thresholds, and otoacoustic emissions. The greatest deficits tended to be at low frequencies. In addition, there was a strong tendency for diabetes to affect the right ear more than the left. One possible interpretation is that as one develops presbycusis, the right ear advantage is lost, and this decline is accelerated by diabetes. In contrast, auditory processing tests that measure both peripheral and central processing showed fewer declines between the elderly diabetics and the control group. Consequences of elevated blood sugar levels as possible underlying physiological mechanisms for the hearing loss are discussed. PMID:16309862

Chemical and ecotoxicological characterization of ashes obtained from sewage sludge combustion in a fluidised-bed reactor.

Science.gov (United States)

Lapa, N; Barbosa, R; Lopes, M H; Mendes, B; Abelha, P; Boavida, D; Gulyurtlu, I; Oliveira, J Santos

2007-08-17

In 1999, the DEECA/INETI and the UBiA/FCT/UNL started a researching project on the partition of heavy metals during the combustion of stabilised sewage sludge (Biogran), in a fluidised-bed reactor, and on the quality of the bottom ashes and fly ashes produced. This project was entitled Bimetal and was funded by the Portuguese Foundation for Science and Technology. In this paper only the results on the combustion of Biogran are reported. The combustion process was performed in two different trials, in which different amounts of sewage sludge and time of combustion were applied. Several ash samples were collected from the bed (bottom ashes) and from two cyclones (first cyclone and second cyclone ashes). Sewage sludge, bed material (sand) and ash samples were submitted to the leaching process defined in the European leaching standard EN 12457-2. The eluates were characterized for a set of inorganic chemical species. The ecotoxicological levels of the eluates were determined for two biological indicators (Vibrio fischeri and Daphnia magna). The results were compared with the limit values of the CEMWE French Regulation. The samples were also ranked according to an index based on the chemical characterization of the eluates. It was observed an increase of the concentration of metals along the combustion system. The ashes trapped in the second cyclone, for both combustion trials, showed the highest concentration of metals in the eluates. Chemically, the ashes of the second cyclone were the most different ones. In the ecotoxicological point of view, the ecotoxicity levels of the eluates of the ashes, for both combustion cycles, did not follow the same pattern as observed for the chemical characterization. The ashes of the first cyclone showed the highest ecotoxicity levels for V. fischeri and D. magna. This difference on chemical and ecotoxicological results proves the need for performing both chemical and ecotoxicological characterizations of the sub-products of such type

Chemical and ecotoxicological characterization of ashes obtained from sewage sludge combustion in a fluidised-bed reactor

Energy Technology Data Exchange (ETDEWEB)

Lapa, N. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal)]. E-mail: ncsn@fct.unl.pt; Barbosa, R. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal); Lopes, M.H. [National Institute of Engineering, Technology and Innovation (INETI), Department of Energetic Engineering and Environmental Control (DEECA). Edificio J, Estrada do Paco do Lumiar, 22, 1649-038 Lisbon (Portugal); Mendes, B. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal); Abelha, P. [National Institute of Engineering, Technology and Innovation (INETI), Department of Energetic Engineering and Environmental Control (DEECA). Edificio J, Estrada do Paco do Lumiar, 22, 1649-038 Lisbon (Portugal); Gulyurtlu, I. [National Institute of Engineering, Technology and Innovation (INETI), Department of Energetic Engineering and Environmental Control (DEECA). Edificio J, Estrada do Paco do Lumiar, 22, 1649-038 Lisbon (Portugal); Santos Oliveira, J. [Environmental Biotechnology Researching Unit (UBiA), Faculty of Science and Technology (FCT), New University of Lisbon - UNL, Ed. Departamental, piso 3, gabinete 377, Quinta da Torre, 2829-516 Caparica (Portugal)

2007-08-17

In 1999, the DEECA/INETI and the UBiA/FCT/UNL started a researching project on the partition of heavy metals during the combustion of stabilised sewage sludge (Biogran[reg]), in a fluidised-bed reactor, and on the quality of the bottom ashes and fly ashes produced. This project was entitled Bimetal and was funded by the Portuguese Foundation for Science and Technology. In this paper only the results on the combustion of Biogran[reg]) are reported. The combustion process was performed in two different trials, in which different amounts of sewage sludge and time of combustion were applied. Several ash samples were collected from the bed (bottom ashes) and from two cyclones (first cyclone and second cyclone ashes). Sewage sludge, bed material (sand) and ash samples were submitted to the leaching process defined in the European leaching standard EN 12457-2. The eluates were characterized for a set of inorganic chemical species. The ecotoxicological levels of the eluates were determined for two biological indicators (Vibrio fischeri and Daphnia magna). The results were compared with the limit values of the CEMWE French Regulation. The samples were also ranked according to an index based on the chemical characterization of the eluates. It was observed an increase of the concentration of metals along the combustion system. The ashes trapped in the second cyclone, for both combustion trials, showed the highest concentration of metals in the eluates. Chemically, the ashes of the second cyclone were the most different ones. In the ecotoxicological point of view, the ecotoxicity levels of the eluates of the ashes, for both combustion cycles, did not follow the same pattern as observed for the chemical characterization. The ashes of the first cyclone showed the highest ecotoxicity levels for V. fischeri and D. magna. This difference on chemical and ecotoxicological results proves the need for performing both chemical and ecotoxicological characterizations of the sub

Chemical and ecotoxicological characterization of ashes obtained from sewage sludge combustion in a fluidised-bed reactor

International Nuclear Information System (INIS)

Lapa, N.; Barbosa, R.; Lopes, M.H.; Mendes, B.; Abelha, P.; Gulyurtlu, I.; Santos Oliveira, J.

2007-01-01

In 1999, the DEECA/INETI and the UBiA/FCT/UNL started a researching project on the partition of heavy metals during the combustion of stabilised sewage sludge (Biogran[reg]), in a fluidised-bed reactor, and on the quality of the bottom ashes and fly ashes produced. This project was entitled Bimetal and was funded by the Portuguese Foundation for Science and Technology. In this paper only the results on the combustion of Biogran[reg]) are reported. The combustion process was performed in two different trials, in which different amounts of sewage sludge and time of combustion were applied. Several ash samples were collected from the bed (bottom ashes) and from two cyclones (first cyclone and second cyclone ashes). Sewage sludge, bed material (sand) and ash samples were submitted to the leaching process defined in the European leaching standard EN 12457-2. The eluates were characterized for a set of inorganic chemical species. The ecotoxicological levels of the eluates were determined for two biological indicators (Vibrio fischeri and Daphnia magna). The results were compared with the limit values of the CEMWE French Regulation. The samples were also ranked according to an index based on the chemical characterization of the eluates. It was observed an increase of the concentration of metals along the combustion system. The ashes trapped in the second cyclone, for both combustion trials, showed the highest concentration of metals in the eluates. Chemically, the ashes of the second cyclone were the most different ones. In the ecotoxicological point of view, the ecotoxicity levels of the eluates of the ashes, for both combustion cycles, did not follow the same pattern as observed for the chemical characterization. The ashes of the first cyclone showed the highest ecotoxicity levels for V. fischeri and D. magna. This difference on chemical and ecotoxicological results proves the need for performing both chemical and ecotoxicological characterizations of the sub

Biologically active new Fe(II, Co(II, Ni(II, Cu(II, Zn(II and Cd(II complexes of N-(2-thienylmethylenemethanamine

Directory of Open Access Journals (Sweden)

C. SPÎNU

2008-04-01

Full Text Available Iron(II, cobalt(II, nickel (II, copper (II, zinc(II and cadmium(II complexes of the type ML2Cl2, where M is a metal and L is the Schiff base N-(2-thienylmethylenemethanamine (TNAM formed by the condensation of 2-thiophenecarboxaldehyde and methylamine, were prepared and characterized by elemental analysis as well as magnetic and spectroscopic measurements. The elemental analyses suggest the stoichiometry to be 1:2 (metal:ligand. Magnetic susceptibility data coupled with electronic, ESR and Mössbauer spectra suggest a distorted octahedral structure for the Fe(II, Co(II and Ni(II complexes, a square-planar geometry for the Cu(II compound and a tetrahedral geometry for the Zn(II and Cd(II complexes. The infrared and NMR spectra of the complexes agree with co-ordination to the central metal atom through nitrogen and sulphur atoms. Conductance measurements suggest the non-electrolytic nature of the complexes, except for the Cu(II, Zn(II and Cd(II complexes, which are 1:2 electrolytes. The Schiff base and its metal chelates were screened for their biological activity against Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the metal chelates were found to possess better antibacterial activity than that of the uncomplexed Schiff base.

Synthesis, characterization and behaviour to gamma radiation of the bis-L-alaninato-copper (II)

International Nuclear Information System (INIS)

Passos, B.F.T.

1985-01-01

The behaviour of coordinated compound obtained from the copper (II) and the L-(+)- alanine to gamma radiation was determined. A study of synthesis and characterization of this complex was made with elementary analysis, ultraviolet and visible electronic spectroscopy, infrared vibrational spectroscopy, proton magnetic resonance spectroscopy and thermo-gravimetric analysis. (C.G.C.)

Site Characterization of the Source Physics Experiment Phase II Location Using Seismic Reflection Data

Science.gov (United States)

Sexton, E. A.; Snelson, C. M.; Chipman, V.; Emer, D. F.; White, R. L.; Emmitt, R.; Wright, A. A.; Drellack, S.; Huckins-Gang, H.; Mercadante, J.; Floyd, M.; McGowin, C.; Cothrun, C.; Bonal, N.

2013-12-01

An objective of the Source Physics Experiment (SPE) is to identify low-yield nuclear explosions from a regional distance. Low-yield nuclear explosions can often be difficult to discriminate among the clutter of natural and man-made explosive events (e.g., earthquakes and mine blasts). The SPE is broken into three phases. Phase I has provided the first of the physics-based data to test the empirical models that have been used to discriminate nuclear events. The Phase I series of tests were placed within a highly fractured granite body. The evolution of the project has led to development of Phase II, to be placed within the opposite end member of geology, an alluvium environment, thereby increasing the database of waveforms to build upon in the discrimination models. Both the granite and alluvium sites have hosted nearby nuclear tests, which provide comparisons for the chemical test data. Phase III of the SPE is yet to be determined. For Phase II of the experiment, characterization of the location is required to develop the geologic/geophysical models for the execution of the experiment. Criteria for the location are alluvium thickness of approximately 170 m and a water table below 170 m; minimal fracturing would be ideal. A P-wave mini-vibroseis survey was conducted at a potential site in alluvium to map out the subsurface geology. The seismic reflection profile consisted of 168 geophone stations, spaced 5 m apart. The mini-vibe was a 7,000-lb peak-force source, starting 57.5 m off the north end of the profile and ending 57.5 m past the southern-most geophone. The length of the profile was 835 m. The source points were placed every 5 m, equally spaced between geophones to reduce clipping. The vibroseis sweep was from 20 Hz down to 180 Hz over 8 seconds, and four sweeps were stacked at each shot location. The shot gathers show high signal-to-noise ratios with clear first arrivals across the entire spread and the suggestion of some shallow reflectors. The data were

Distribution and Molecular Characterization of Acinetobacter baumannii International Clone II Lineage in Japan.

Science.gov (United States)

Matsui, Mari; Suzuki, Masato; Suzuki, Masahiro; Yatsuyanagi, Jun; Watahiki, Masanori; Hiraki, Yoichi; Kawano, Fumio; Tsutsui, Atsuko; Shibayama, Keigo; Suzuki, Satowa

2018-02-01

Multidrug-resistant (MDR) Acinetobacter spp. have been globally disseminated in association with the successful clonal lineage Acinetobacter baumannii international clone II (IC II). Because the prevalence of MDR Acinetobacter spp. in Japan remains very low, we characterized all Acinetobacter spp. ( n = 866) from 76 hospitals between October 2012 and March 2013 to describe the entire molecular epidemiology of Acinetobacter spp. The most prevalent species was A. baumannii ( n = 645; 74.5%), with A. baumannii IC II ( n = 245) accounting for 28.3% of the total. Meropenem-resistant isolates accounted for 2.0% ( n = 17) and carried IS Aba1-bla OXA-23-like ( n = 10), bla IMP ( n = 4), or IS Aba1-bla OXA-51-like ( n = 3). Multilocus sequence typing of 110 representative A. baumannii isolates revealed the considerable prevalence of domestic sequence types (STs). A. baumannii IC II isolates were divided into the domestic sequence type 469 (ST469) ( n = 18) and the globally disseminated STs ST208 ( n = 14) and ST219 ( n = 4). ST469 isolates were susceptible to more antimicrobial agents, while ST208 and ST219 overproduced the intrinsic AmpC β-lactamase. A. baumannii IC II and some A. baumannii non-IC II STs (e.g., ST149 and ST246) were associated with fluoroquinolone resistance. This study revealed that carbapenem-susceptible A. baumannii IC II was moderately disseminated in Japan. The low prevalence of acquired carbapenemase genes and presence of domestic STs could contribute to the low prevalence of MDR A. baumannii A similar epidemiology might have appeared before the global dissemination of MDR epidemic lineages. In addition, fluoroquinolone resistance associated with A. baumannii IC II may provide insight into the significance of A. baumannii epidemic clones. Copyright © 2018 American Society for Microbiology.

Physical-chemical characterization of pre-cooked mixed rice flour and barley bagasse

Directory of Open Access Journals (Sweden)

Diego Palmiro Ramirez Ascheri

2016-04-01

Full Text Available The extrusion processing parameters, chemical composition and water content of the flour mixture may affect the structure of rice flour, leading to products with different rheological behavior and hygroscopicity. Therefore, this work aimed to study the rheological properties and water adsorption of mixed flours of broken rice and barley bagasse obtained by extrusion cooking. Samples were prepared from a mixture of grits/bagasse between 82/18 and 73/27 (w/w with water content between 18.04 and 26.96%, using a single screw extruder. The rheological properties of the extruded flour were determined by a rapid viscosity analyzer to evaluate the cooking profile of the pastes by observing the pasting temperature, maximum viscosity, breakdown and retrogradation. The adsorption process was performed by weighing the samples stored at temperatures of 25, 30, 35 and 45 °C with water activity between 0.112 and 0.973. The isotherms were fitted using the following mathematical models: Halsey, Oswin, Smith, GAB and Peleg. The extruded composite flours were characterized by their lack of initial viscosity. The pasting temperature (40-67 °C, maximum viscosity (690-1146 cP, breakdown viscosity (0-175 cP and retrogradation (613-1382 cP were lower than for raw rice flour. The Peleg equation fitted well to the water adsorption data and can be used to represent the sigmoidal type II shape of the water adsorption isotherms for the extruded mixed flours from rice grits and barley bagasse.

Radiological, physical, and chemical characterization of transuranic wastes stored at the Idaho National Engineering Laboratory

International Nuclear Information System (INIS)

Apel, M.L.; Becker, G.K.; Ragan, Z.K.; Frasure, J.; Raivo, B.D.; Gale, L.G.; Pace, D.P.

1994-03-01

This document provides radiological, physical and chemical characterization data for transuranic radioactive wastes and transuranic radioactive and hazardous (i.e., mixed) wastes stored at the Idaho National Engineering Laboratory and considered for treatment under the Private Sector Participation Initiative Program (PSPI). Waste characterization data are provided in the form of INEL Waste Profile Sheets. These documents provide, for each content code, information on waste identification, waste description, waste storage configuration, physical/chemical waste composition, radionuclide and associated alpha activity waste characterization data, and hazardous constituents present in the waste. Information is provided for 139 waste streams which represent an estimated total volume of 39,380 3 corresponding to a total mass of approximately 19,000,000 kg. In addition, considerable information concerning alpha, beta, gamma, and neutron source term data specific to Rocky Flats Plant generated waste forms stored at the INEL are provided to assist in facility design specification

Forensic analysis methodology for thermal and chemical characterization of homemade explosives

International Nuclear Information System (INIS)

Nazarian, Ashot; Presser, Cary

2014-01-01

Highlights: • Identification of homemade explosives (HME) is critical for determining the origin of explosive precursor materials. • A novel laser-heating technique was used to obtain the thermal/chemical signatures of HME precursor materials. • Liquid-fuel saturation of the pores of a solid porous oxidizer affected the total specific heat release. • Material thermal signatures were dependent on sample mass and heating rate. • This laser-heating technique can be a useful diagnostic tool for characterizing the thermochemical behavior of HMEs. - Abstract: Forensic identification of homemade explosives is critical for determining the origin of the explosive materials and precursors, and formulation procedures. Normally, the forensic examination of the pre- and post-blast physical evidence lacks specificity for homemade-explosive identification. The focus of this investigation was to use a novel measurement technique, referred to as the laser-driven thermal reactor, to obtain the thermal/chemical signatures of homemade-explosive precursor materials. Specifically, nitromethane and ammonium nitrate were studied under a variety of operating conditions and protocols. Results indicated that liquid-fuel saturation of the internal pores of a solid particle oxidizer appear to be a limiting parameter for the total specific heat release during exothermic processes. Results also indicated that the thermal signatures of these materials are dependent on sample mass and heating rate, for which this dependency may not be detectable by other commercially available thermal analysis techniques. This study has demonstrated that the laser-driven thermal reactor can be a useful diagnostic tool for characterizing the thermal and chemical behavior of trace amounts of homemade-explosive materials

Cr(III,Mn(II,Fe(III,Co(II,Ni(II,Cu(II and Zn(II Complexes with Diisobutyldithiocarbamato Ligand

Directory of Open Access Journals (Sweden)

Mohammad Tarique

2011-01-01

Full Text Available The synthesis of sulphur and nitrogen containing dithiocarbamato ligand derived from diisobutylamine as well as its coordination compounds with 3d series transition metals is presented. These synthesized compounds were characterized on the basis of elemental analysis, conductometric measurements and IR spectral studies. The analytical data showed the stoichiometry 1:2 and 1:3 for the compounds of the types ML2 {M=Mn(II, Co(II, Ni(II, Cu(II and Zn(II} and M'L3{M'=Cr(III and Fe(III} respectively. The conductometric measurements proved the non-electrolytic behaviour of all the compounds. The bidentate nature of dithiocarbamato moiety was confirmed on the basis of IR spectral data.

Synthesis, characterization and thermal studies of nickel (II), copper (II), zinc (II) and cadmium (II) complexes with some mixed ligands

International Nuclear Information System (INIS)

Mitra, Samiran; Kundu, Parimal; Singh, Rajkumar Bhubon

1998-01-01

Dichloro-(DCA) and trichloroacetate(TCA) -cyclic ligand morpholine (Morph)/thiomorpholine (Tmorph)/methylmorpholine (Mmorph)/dimethyl-piperazine (DMP) complexes of nickel (II), copper (II), zinc (II) and cadmium (II) with the compositions [Ni(tmorph) 2 (DCA) 2 ], [Ni(tmorph) 2 (TCA) 2 ].2H 2 O, [Cu(DMP) 2 (TCA) 2 ],[ML 2 X 2 ].nH 2 O where M=Zn II or Cd II , L=Morph, DMP or tmorph and X=DCA or TCA and n=O except in case of [Cd (Morph) 2 (TCA) 2 ] where n=1 have been synthesised. Some intermediate complexes have been isolated by temperature arrest technique (pyrolysis) and characterised. Configurational and conformational changes have been studied by elemental analyses, IR and electronic spectra, magnetic moment data (in the case of Ni(II) and Cu(II) complexes) and thermal analysis. E a * , ΔH, and ΔS for the decomposition reaction of these complexes are evaluated and the stability of the complexes with respect to activation energy has also been compared. The linear correlation has been found between E a * and ΔS for the decomposition of the complexes. (author)

Synthesis, characterization, spectroscopic and theoretical studies of new zinc(II), copper(II) and nickel(II) complexes based on imine ligand containing 2-aminothiophenol moiety

Science.gov (United States)

Shafaatian, Bita; Mousavi, S. Sedighe; Afshari, Sadegh

2016-11-01

New dimer complexes of zinc(II), copper(II) and nickel(II) were synthesized using the Schiff base ligand which was formed by the condensation of 2-aminothiophenol and 2-hydroxy-5-methyl benzaldehyde. This tridentate Schiff base ligand was coordinated to the metal ions through the NSO donor atoms. In order to prevent the oxidation of the thiole group during the formation of Schiff base and its complexes, all of the reactions were carried out under an inert atmosphere of argon. The X-ray structure of the Schiff base ligand showed that in the crystalline form the SH groups were oxidized to produce a disulfide Schiff base as a new double Schiff base ligand. The molar conductivity values of the complexes in dichloromethane implied the presence of non-electrolyte species. The fluorescence properties of the Schiff base ligand and its complexes were also studied in dichloromethane. The products were characterized by FT-IR, 1H NMR, UV/Vis spectroscopies, elemental analysis, and conductometry. The crystal structure of the double Schiff base was determined by single crystal X-ray diffraction. Furthermore, the density functional theory (DFT) calculations were performed at the B3LYP/6-31G(d,p) level of theory for the determination of the optimized structures of Schiff base complexes.

Construction technique for a chemical plant (II)

International Nuclear Information System (INIS)

1978-08-01

This book deals with design and construction for a chemical plant which includes design and building of steel structure for a chemical plant with types, basic regulation, plan, shop fabrication for steel structure and field construction. It explains design and construction of making building for a chemical construction with measurement, types of building and basic rule of the building, design of the building, constructing plumbing for a chemical plant with plan, management of material, checking for construction, construction of electrical installation on plan, know-how to construction and maintenance.

Computer augumented modelling studies of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II complexes of L-glutamic acid in 1,2-propanediol–water mixtures

Directory of Open Access Journals (Sweden)

MAHESWARA RAO VEGI

2008-12-01

Full Text Available Chemical speciation of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II complexes of L-glutamic acid was studied at 303 K in 0–60 vol. % 1,2-propanediol–water mixtures, whereby the ionic strength was maintained at 0.16 mol dm-3. The active forms of the ligand are LH3+, LH2 and LH–. The predominant detected species were ML, ML2, MLH, ML2H and ML2H2. The trend of the variation in the stability constants with changing dielectric constant of the medium is explained based on the cation stabilizing nature of the co-solvents, specific solvent–water interactions, charge dispersion and specific interactions of the co-solvent with the solute. The effect of systematic errors in the concentrations of the substances on the stability constants is in the order alkali > > acid > ligand > metal. The bioavailability and transportation of metals are explained based on distribution diagrams and stability constants.

Transition metal complexes of some biologically active ligands; synthesis characterization and bioactivities

International Nuclear Information System (INIS)

Rehman, S.; Ali, N.; Nisar, M.

2009-01-01

Transition/representative transition metals complexes of biologically active chelating agent 1,2-dipyrolodinoethane were synthesized and characterized through spectral and analytical data. The complexes are of the formula (M(L)X/sub 2/). Where (M = Co (II), Ni (II), Cu (II), Zn (II), Hg (II) and Cd (II) and X = CI, Br, NO/sub 3/). Tetrahedral geometry has been proposed to these-metal complexes with the help of magnetic measurements, elemental analysis, chemical stoichiometry and spectroscopic data Antibacterial activity of the ligand and its metal complexes were screened against Eschereschi coli, Klebsiello pneumonia, Proteus mirabilis, Proteus vulhari, Streptococcus pneumonia, Salmonella Iyphi, Bacilh,s anthrax, Streptococcus fecalis and Staphylococcus aureus. Complexes were found to be active against Eschereschi coli, Klebsiella pneumonia, Proteus mirabilis and Proteus vulharis. (author)

Developmental Effects of the ToxCast™ Phase I and Phase II Chemicals in Caenorhabditis elegans and Corresponding Responses in Zebrafish, Rats, and Rabbits

Science.gov (United States)

Boyd, Windy A.; Smith, Marjolein V.; Co, Caroll A.; Pirone, Jason R.; Rice, Julie R.; Shockley, Keith R.; Freedman, Jonathan H.

2015-01-01

Background: Modern toxicology is shifting from an observational to a mechanistic science. As part of this shift, high-throughput toxicity assays are being developed using alternative, nonmammalian species to prioritize chemicals and develop prediction models of human toxicity. Methods: The nematode Caenorhabditis elegans (C. elegans) was used to screen the U.S. Environmental Protection Agency’s (EPA’s) ToxCast™ Phase I and Phase II libraries, which contain 292 and 676 chemicals, respectively, for chemicals leading to decreased larval development and growth. Chemical toxicity was evaluated using three parameters: a biologically defined effect size threshold, half-maximal activity concentration (AC50), and lowest effective concentration (LEC). Results: Across both the Phase I and Phase II libraries, 62% of the chemicals were classified as active ≤ 200 μM in the C. elegans assay. Chemical activities and potencies in C. elegans were compared with those from two zebrafish embryonic development toxicity studies and developmental toxicity data for rats and rabbits. Concordance of chemical activity was higher between C. elegans and one zebrafish assay across Phase I chemicals (79%) than with a second zebrafish assay (59%). Using C. elegans or zebrafish to predict rat or rabbit developmental toxicity resulted in balanced accuracies (the average value of the sensitivity and specificity for an assay) ranging from 45% to 53%, slightly lower than the concordance between rat and rabbit (58%). Conclusions: Here, we present an assay that quantitatively and reliably describes the effects of chemical toxicants on C. elegans growth and development. We found significant overlap in the activity of chemicals in the ToxCast™ libraries between C. elegans and zebrafish developmental screens. Incorporating C. elegans toxicological assays as part of a battery of in vitro and in vivo assays provides additional information for the development of models to predict a chemical�

Application of repetitive pulsed power technology to chemical processing

International Nuclear Information System (INIS)

Kaye, R.J.; Hamil, R.

1995-01-01

The numerous sites of soil and water contaminated with organic chemicals present an urgent environmental concern that continues to grow. Electron and x-ray irradiation have been shown to be effective methods to destroy a wide spectrum of organic chemicals, nitrates, nitrites, and cyanide in water by breaking molecules to non-toxic products or entirely mineralizing the by-products to gas, water, and salts. Sandia National Laboratories is developing Repetitive High Energy Pulsed Power (RHEPP) technology capable of producing high average power, broad area electron or x-ray beams. The 300 kW RHEPP-II facility accelerates electrons to 2.5 MeV at 25 kA over 1,000 cm 2 in 60 ns pulses at repetition rates of over 100 Hz. Linking this modular treatment capability with the rapid optical-sensing diagnostics and neutral network characterization software algorithms will provide a Smart Waste Treatment (SWaT) system. Such a system would also be applicable for chemical manufacture and processing of industrial waste for reuse or disposal. This talk describes both the HREPP treatment capability and sensing technologies. Measurements of the propagated RHEPP-II beam and dose profiles are presented. Sensors and rapid detection software are discussed with application toward chemical treatment

A Non-Competitive Inhibitor of VCP/p97 and VPS4 Reveals Conserved Allosteric Circuits in Type I and II AAA ATPases.

Science.gov (United States)

Pöhler, Robert; Krahn, Jan H; van den Boom, Johannes; Dobrynin, Grzegorz; Kaschani, Farnusch; Eggenweiler, Hans-Michael; Zenke, Frank T; Kaiser, Markus; Meyer, Hemmo

2018-02-05

AAA ATPases have pivotal functions in diverse cellular processes essential for survival and proliferation. Revealing strategies for chemical inhibition of this class of enzymes is therefore of great interest for the development of novel chemotherapies or chemical tools. Here, we characterize the compound MSC1094308 as a reversible, allosteric inhibitor of the type II AAA ATPase human ubiquitin-directed unfoldase (VCP)/p97 and the type I AAA ATPase VPS4B. Subsequent proteomic, genetic and biochemical studies indicate that MSC1094308 binds to a previously characterized drugable hotspot of p97, thereby inhibiting the D2 ATPase activity. Our results furthermore indicate that a similar allosteric site exists in VPS4B, suggesting conserved allosteric circuits and drugable sites in both type I and II AAA ATPases. Our results may thus guide future chemical tool and drug discovery efforts for the biomedically relevant AAA ATPases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis of a new ONNO donor tetradentate schiff base ligand and binuclear Cu(II) complex: Quantum chemical, spectroscopic and photoluminescence investigations

International Nuclear Information System (INIS)

Sarıoğlu, Ahmet Oral; Ceylan, Ümit; Yalçın, Şerife Pınar; Sönmez, Mehmet; Ceyhan, Gökhan; Aygün, Muhittin

2016-01-01

The Schiff base compound 3,3′-(1,4-phenylimino)-bis-[1,3-bis-(4-methoxyphenyl) propan-1-one)], formulated as C 40 H 36 N 2 O 6, and its Cu(II) complex were synthesized and characterized by analytical analysis, various spectral techniques such as FT-IR, NMR, UV–vis, magnetic measurements and molar conductivity. Thermo gravimetric analysis (TGA and DTA) carried out to obtain information about its thermal stability. The molecular structure and spectroscopic properties of the ligand were obtained with FT-IR, 1 H and 13 C NMR, UV–vis investigations as experimentally and compared with theoretical results obtained from DFT/B3LYP/6-311++G(d,p) basis set. In addition to molecular calculations of the title compound, molecular electrostatic potential (MEP), dipole moments, atomic charges, HOMO–LUMO, NLO and NBO analysis were computed. The calculated results show that the optimized geometry can well reproduce the crystal structure parameters, and the theoretical vibrational frequencies, 1 H and 13 C NMR chemical shifts show good agreement with experimental values. Photoluminescence properties of the ligand and its Cu(II) complex were examined. - Highlights: • FT-IR and 1 H– 13 C NMR spectra were recorded and compared with the theoretical results. • The photoluminescence properties were studied. • NLO, NBO analysis of the molecule were studied. • HOMO and LUMO energies, MEP distribution of the molecule were calculated.

(II) complexes

African Journals Online (AJOL)

activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

Identification and Characterization of Novel Immunomodulatory Bursal-derived Pentapeptide-II (BPP-II)*

Science.gov (United States)

Feng, Xiu-Li; Liu, Qing-Tao; Cao, Rui-Bing; Zhou, Bin; Ma, Zhi-Yong; Deng, Wen-Lei; Wei, Jian-Chao; Qiu, Ya-Feng; Wang, Fang-Quan; Gu, Jin-Yan; Wang, Feng-Juan; Zheng, Qi-Sheng; Ishag, Hassan; Chen, Pu-Yan

2012-01-01

The bursa of Fabricius, the acknowledged central humoral immune organ, plays a vital role in B lymphocyte differentiation. However, there are few reports of the molecular basis of the mechanism on immune induction and potential antitumor activity of bursal-derived peptides. In this paper, a novel bursal-derived pentapeptide-II (BPP-II, MTLTG) was isolated and exerted immunomodulatory functions on antibody responses in vitro. Gene microarray analyses demonstrated that BPP-II regulated expression of 2478 genes in a mouse-derived hybridoma cell line. Immune-related gene ontology functional procedures were employed for further functional analysis. Furthermore, the majority of BPP-II-regulated pathways were associated with immune responses and tumor processes. Moreover, BPP-II exhibited immunomodulatory effects on antigen-specific immune responses in vivo, including enhancement of avian influenza virus (H9N2 subtype)-specific antibody and cytokine production and modification of T cell immunophenotypes and lymphocyte proliferation. Finally, BPP-II triggered p53 expression and stabilization and selectively inhibited tumor cell proliferation. These data identified the multifunctional factor, BPP-II, as a novel biomaterial representing an important linking between the humoral central immune system and immune induction, including antitumor. Information generated in this study elucidates further the mechanisms involved in humoral immune system and represents the potential basis of effective immunotherapeutic strategies for treating human tumors and immune improvement. PMID:22184121

Identification and characterization of novel immunomodulatory bursal-derived pentapeptide-II (BPP-II).

Science.gov (United States)

Feng, Xiu-Li; Liu, Qing-Tao; Cao, Rui-Bing; Zhou, Bin; Ma, Zhi-Yong; Deng, Wen-Lei; Wei, Jian-Chao; Qiu, Ya-Feng; Wang, Fang-Quan; Gu, Jin-Yan; Wang, Feng-Juan; Zheng, Qi-Sheng; Ishag, Hassan; Chen, Pu-Yan

2012-02-03

The bursa of Fabricius, the acknowledged central humoral immune organ, plays a vital role in B lymphocyte differentiation. However, there are few reports of the molecular basis of the mechanism on immune induction and potential antitumor activity of bursal-derived peptides. In this paper, a novel bursal-derived pentapeptide-II (BPP-II, MTLTG) was isolated and exerted immunomodulatory functions on antibody responses in vitro. Gene microarray analyses demonstrated that BPP-II regulated expression of 2478 genes in a mouse-derived hybridoma cell line. Immune-related gene ontology functional procedures were employed for further functional analysis. Furthermore, the majority of BPP-II-regulated pathways were associated with immune responses and tumor processes. Moreover, BPP-II exhibited immunomodulatory effects on antigen-specific immune responses in vivo, including enhancement of avian influenza virus (H9N2 subtype)-specific antibody and cytokine production and modification of T cell immunophenotypes and lymphocyte proliferation. Finally, BPP-II triggered p53 expression and stabilization and selectively inhibited tumor cell proliferation. These data identified the multifunctional factor, BPP-II, as a novel biomaterial representing an important linking between the humoral central immune system and immune induction, including antitumor. Information generated in this study elucidates further the mechanisms involved in humoral immune system and represents the potential basis of effective immunotherapeutic strategies for treating human tumors and immune improvement.

Physico-chemical characterization of slag waste coming from GICC thermal power plant

Energy Technology Data Exchange (ETDEWEB)

Acosta, A.; Aineto, M.; Iglesias, I. [Laboratory of Applied Mineralogy, Universidad de Castilla-La Mancha, Ciudad Real Madrid (Spain); Romero, M.; Rincon, J.Ma. [The Glass-Ceramics Laboratory, Insituto Eduardo Torroja de Ciencias de la Construccion, CSIC, c/Serrano Galvache s/n, 28033, Madrid (Spain)

2001-09-01

The new gas installations of combined cycle (GICC) thermal power plants for production of electricity are more efficient than conventional thermal power plants, but they produce a high quantity of wastes in the form of slags and fly ashes. Nowadays, these by-products are stored within the production plants with, until now, no applications of recycling in other industrial processes. In order to evaluate the capability of these products for recycling in glass and ceramics inductory, an investigation for the full characterization has been made by usual physico-chemical methods such as: chemical analysis, mineralogical analysis by XRD, granulometry, BET, DTA/TG, heating microscopy and SEM/EDX.

Preparation and characterization of Schiff base Cu(II) complex and its applications on textile materials

Science.gov (United States)

Oylumluoglu, G.; Oner, J.

2017-10-01

Schiff base ligands are regarded as an important class of organic compounds on account of the fact that their complexation ability with transition metal ions. A new monomeric Schiff base Cu(II) complex, [Cu(HL)2], 1 [H2L = 2-((E)-(2-hydroxypropylimino)methyl)-4-nitrophenol] has been synthesized and characterized by elemental analysis, UV and IR spectroscopy, single crystal X-ray diffraction and photoluminescence study. While the Schiff base ligand and its Cu(II) complex are excited at λex = 349 nm in UV region, the Schiff base ligand shows a blue emission band at λmax = 480 nm whereas its Cu(II) complex shows a strong green emission band at λmax = 520 nm in the solid state at room temperature. The luminescent properties showed that the Schiff base ligand and its Cu(II) complex can be used as novel potential candidates for applications in textile such as UV-protection, antimicrobial, laundry and functional bleaching treatments.

Effects of Achyrocline satureioides Inflorescence Extracts against Pathogenic Intestinal Bacteria: Chemical Characterization, In Vitro Tests, and In Vivo Evaluation

Directory of Open Access Journals (Sweden)

Karla Suzana Moresco

2017-01-01

Full Text Available Three Achyrocline satureioides (AS inflorescences extracts were characterized: (i a freeze-dried extract prepared from the aqueous extractive solution and (ii a freeze-dried and (iii a spray-dried extract prepared from hydroethanol extractive solution (80% ethanol. The chemical profile, antioxidant potential, and antimicrobial activity against intestinal pathogenic bacteria of AS extracts were evaluated. In vitro antioxidant activity was determined by the total reactive antioxidant potential (TRAP assay. In vivo analysis and characterization of intestinal microbiota were performed in male Wistar rats (saline versus treated animals with AS dried extracts by high-throughput sequencing analysis: metabarcoding. Antimicrobial activity was tested in vitro by the disc diffusion tests. Moisture content of the extracts ranged from 10 to 15% and 5.7 to 17 mg kg−1 of fluorine. AS exhibited antioxidant activity, especially in its freeze-dried form which also exhibited a wide spectrum of antimicrobial activity against intestinal pathogenic bacteria greater than those observed by the antibiotic, amoxicillin, when tested against Bacillus cereus and Staphylococcus aureus. Antioxidant and antimicrobial activities of AS extracts seemed to be positively correlated with the present amount of flavonoids. These findings suggest a potential use of AS as a coadjuvant agent for treating bacterial-induced intestinal diseases with high rates of antibiotic resistance.

Chemical and biological effects of heavy distillate recycle in the SRC-II process

Energy Technology Data Exchange (ETDEWEB)

Wilson, B.W.; Pelroy, R.A.; Anderson, R.P.; Freel, J.

1983-12-01

Recent work from the Merriam Laboratory continuous coal liquefaction units shows that heavy distillate from the SRC-II process can be recycled to extinction, and hence a distillate product boiling entirely below 310/sup 0/C (590/sup 0/F) (or other selected boiling points) is feasible. In these runs distillate yield was not reduced; gas make was unaffected; and hydrogen consumption was increased only slightly, in keeping with the generally higher hydrogen content of lighter end products. Total distillate yield (C/sub 5/-590/sup 0/F) was 56 wt %, MAF coal in runs with subbituminous coal from the Amax Belle Ayr mine. Product endpoint is well below 371/sup 0/C (700/sup 0/F), the temperature above which coal distillates appear to become genotoxic; and the product was shown to be free of mutagenic activity in the Ames test. Chemical analyses showed both the < 270/sup 0/C (< 518/sup 0/F) and the < 310/sup 0/C (< 590/sup 0/F) distillates to be essentially devoid of several reference polycyclic compounds known to be carcinogenic in laboratory animals. Tests for tumorigenic or carcinogenic activity were not carried out on these materials. However, a comparison of chemical data from the Merriam heavy distillate samples with data on the other SRC-II distillates where carcinogenesis or tumorigenesis data is available leads to the expectation that < 371/sup 0/C (< 700/sup 0/F) materials from the Merriam Laboratory will have greatly reduced tumorigenic and carcinogenic activity in skin painting tests. Other studies suggest the product should be more readily upgraded than full-range (C/sub 5/-900/sup 0/F) distillate.

Synthesis and Characterization Pectin-Carboxymethyl Chitosan crosslinked PEGDE as biosorbent of Pb(II) ion

Science.gov (United States)

Hastuti, Budi; Siswanta, Dwi; Mudasir; Triyono

2018-01-01

Pectin and chitosan are biodegradable polymers, potentially applied as a heavy metal adsorbents. Unfortunately both biosorbents pectin and chitosan have a weakness in acidic media. For this purpose required modified pectin and chitosan. The modified adsorben is intended to obtain a stable adsorbent and resistance under acid. The research was done by experimental method in laboratory. The stages of this research are the synthesis of carboxymethyl chitosan (CMC), synthesis of Pec-CMC-PEGDE film adsorbent, stabily test under acid, the characterization of active group using FTIR, stability characterization of Pec-CMC-PEGDE powder adsorbent using XRD, termo stability using DTA-TGA. The results of the research have shown that: pectin and CMC can be cross-linked using PEGDE crosslinking agent, the film adsorbent was stable under HCl 1 M, the film adsorbent have active group comprise of carboxylate and amine groups. The result of characterization using XRD, shows that the adsorbent is semi-crystalline. Base on termo stability, the film adsorbent Pec-CMC-PEGDE stable up to 600°C. The film can be applied as an adsobent of Pb (II) ion remediation. The optimum pH of pec-CMC-PEGDE in adsorbed of Pb(II) was reached at pH 5 with 99.99% absorbent adsorbed and of and adsorption capacity was 46.11 mg/g.

In-silico identification and characterization of organic and inorganic chemical stress responding genes in yeast (Saccharomyces cerevisiae).

Science.gov (United States)

Barozai, Muhammad Younas Khan; Bashir, Farrukh; Muzaffar, Shafia; Afzal, Saba; Behlil, Farida; Khan, Muzaffar

2014-10-15

To study the life processes of all eukaryotes, yeast (Saccharomyces cerevisiae) is a significant model organism. It is also one of the best models to study the responses of genes at transcriptional level. In a living organism, gene expression is changed by chemical stresses. The genes that give response to chemical stresses will provide good source for the strategies in engineering and formulating mechanisms which are chemical stress resistant in the eukaryotic organisms. The data available through microarray under the chemical stresses like lithium chloride, lactic acid, weak organic acids and tomatidine were studied by using computational tools. Out of 9335 yeast genes, 388 chemical stress responding genes were identified and characterized under different chemical stresses. Some of these are: Enolases 1 and 2, heat shock protein-82, Yeast Elongation Factor 3, Beta Glucanase Protein, Histone H2A1 and Histone H2A2 Proteins, Benign Prostatic Hyperplasia, ras GTPase activating protein, Establishes Silent Chromatin protein, Mei5 Protein, Nondisjunction Protein and Specific Mitogen Activated Protein Kinase. Characterization of these genes was also made on the basis of their molecular functions, biological processes and cellular components. Copyright © 2014 Elsevier B.V. All rights reserved.

Synthesis, spectral and theoretical studies of Ni(II), Pd(II) and Pt(II) complexes of 5-mercapto-1,2,4-triazole-3-imine-2'-hydroxynaphthaline.

Science.gov (United States)

Gaber, Mohamed; El-Ghamry, Hoda; Atlam, Faten; Fathalla, Shaimaa

2015-02-25

Ni(II), Pd(II) and Pt(II) complexes of 5-mercapto-1,2,4-triazole-3-imine-2'-hydroxynaphthaline have been isolated and characterized by elemental analysis, IR, (1)H NMR, EI-mass, UV-vis, molar conductance, magnetic moment measurements and thermogravimetric analysis. The molar conductance values indicated that the complexes are non-electrolytes. The magnetic moment values of the complexes displayed diamagnetic behavior for Pd(II) and Pt(II) complexes and tetrahedral geometrical structure for Ni(II) complex. From the bioinorganic applications point of view, the interaction of the ligand and its metal complexes with CT-DNA was investigated using absorption and viscosity titration techniques. The Schiff-base ligand and its metal complexes have also been screened for their antimicrobial and antitumor activities. Also, theoretical investigation of molecular and electronic structures of the studied ligand and its metal complexes has been carried out. Molecular orbital calculations were performed using DFT (density functional theory) at B3LYP level with standard 6-31G(d,p) and LANL2DZ basis sets to access reliable results to the experimental values. The calculations were performed to obtain the optimized molecular geometry, charge density distribution, extent of distortion from regular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), Mulliken atomic charges, reactivity index (ΔE), dipole moment (D), global hardness (η), softness (σ), electrophilicity index (ω), chemical potential and Mulliken electronegativity (χ). Copyright © 2014 Elsevier B.V. All rights reserved.

Microbiology and atmospheric processes: biological, physical and chemical characterization of aerosol particles

Directory of Open Access Journals (Sweden)

D. G. Georgakopoulos

2009-04-01

Full Text Available The interest in bioaerosols has traditionally been linked to health hazards for humans, animals and plants. However, several components of bioaerosols exhibit physical properties of great significance for cloud processes, such as ice nucleation and cloud condensation. To gain a better understanding of their influence on climate, it is therefore important to determine the composition, concentration, seasonal fluctuation, regional diversity and evolution of bioaerosols. In this paper, we will review briefly the existing techniques for detection, quantification, physical and chemical analysis of biological particles, attempting to bridge physical, chemical and biological methods for analysis of biological particles and integrate them with aerosol sampling techniques. We will also explore some emerging spectroscopy techniques for bulk and single-particle analysis that have potential for in-situ physical and chemical analysis. Lastly, we will outline open questions and further desired capabilities (e.g., in-situ, sensitive, both broad and selective, on-line, time-resolved, rapid, versatile, cost-effective techniques required prior to comprehensive understanding of chemical and physical characterization of bioaerosols.

E-waste: development of recycling process and chemical characterization of circuit printed - motherboard

International Nuclear Information System (INIS)

Junior, O.L.F.; Vargas, R.A.; Andreoli, M.; Martinelli, J.R.; Seo, E.S.M.

2011-01-01

The electro-electronic industry has been regulated by the National Politic of Solid Residues Act (PNRS) and Bill no. 7.404, concerning the actions, procedures, and method to collect, recycle and promotion of environmentally acceptable final destination of residues. The present work contributes to develop recycling process of printed circuit used in microcomputers and in its chemical characterization. The experimental procedure consisted of grinding, classification, magnetic and electrostatic separation, and separation based on density difference, followed by chemical characterization of the metallic and non metallic materials in the motherboard. It was determined that the amounts of Ag, Al, Ba, Cl, Cr, Cu, Fe, Mn, Pb, and Zn in the residue are above the toxicity allowable levels, and they are in the samples of the decanted material. Among the samples of the floating material, Al, Ba, Br, Ca, Cu, Fe, Pb (in less quantity), Si (in more quantity), and Sn, Ti and Zn were detected. Those materials can be useful in the preparation of red ceramics. (author)

A chemical approach to accurately characterize the coverage rate of gold nanoparticles

International Nuclear Information System (INIS)

Zhu, Xiaoli; Liu, Min; Zhang, Huihui; Wang, Haiyan; Li, Genxi

2013-01-01

Gold nanoparticles (AuNPs) have been widely used in many areas, and the nanoparticles usually have to be functionalized with some molecules before use. However, the information about the characterization of the functionalization of the nanoparticles is still limited or unclear, which has greatly restricted the better functionalization and application of AuNPs. Here, we propose a chemical way to accurately characterize the functionalization of AuNPs. Unlike the traditional physical methods, this method, which is based on the catalytic property of AuNPs, may give accurate coverage rate and some derivative information about the functionalization of the nanoparticles with different kinds of molecules. The performance of the characterization has been approved by adopting three independent molecules to functionalize AuNPs, including both covalent and non-covalent functionalization. Some interesting results are thereby obtained, and some are the first time to be revealed. The method may also be further developed as a useful tool for the characterization of a solid surface

A chemical approach to accurately characterize the coverage rate of gold nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Zhu, Xiaoli; Liu, Min; Zhang, Huihui [Shanghai University, Laboratory of Biosensing Technology, School of Life Sciences (China); Wang, Haiyan [Nanjing University, State Key Laboratory of Pharmaceutical Biotechnology, Department of Biochemistry (China); Li, Genxi, E-mail: genxili@nju.edu.cn [Shanghai University, Laboratory of Biosensing Technology, School of Life Sciences (China)

2013-09-15

Gold nanoparticles (AuNPs) have been widely used in many areas, and the nanoparticles usually have to be functionalized with some molecules before use. However, the information about the characterization of the functionalization of the nanoparticles is still limited or unclear, which has greatly restricted the better functionalization and application of AuNPs. Here, we propose a chemical way to accurately characterize the functionalization of AuNPs. Unlike the traditional physical methods, this method, which is based on the catalytic property of AuNPs, may give accurate coverage rate and some derivative information about the functionalization of the nanoparticles with different kinds of molecules. The performance of the characterization has been approved by adopting three independent molecules to functionalize AuNPs, including both covalent and non-covalent functionalization. Some interesting results are thereby obtained, and some are the first time to be revealed. The method may also be further developed as a useful tool for the characterization of a solid surface.

SEM, Scanning Auger and XPS characterization of chemically pretreated Ti surfaces intended for biomedical applications

Energy Technology Data Exchange (ETDEWEB)

Pisarek, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)], E-mail: marcinp@ichf.edu.pl; Lewandowska, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Roguska, A. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Kurzydlowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Janik-Czachor, M. [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)

2007-07-15

Titanium is known as a biocompatible metal characterized by biological and corrosion immunity and good mechanical properties, including a high fracture toughness. In a variety of environments, this metal undergoes 'natural' oxidation which determine its resistance to corrosion. It can also be exposed to chemical treatments in acidic or alkaline solutions which 'enforces' chemical and morphological changes of Ti surface. Those methods, if well controlled, may increase the effective Ti surface area, making it more biocompatible. However, the morphological and chemical factors responsible for their interactions with biological cells are still not well known. The aim of this work was to compare surface chemical and morphological changes introduced by commonly used aqueous NaOH pretreatment with those occurring in a new 'piranha' acidic solution. Particular attention was paid to possible changes which may be decisive for the biocompatibility of the Ti-elements subjected to these surface modifications. Surface analytical techniques such as Auger electron spectroscopy (AES) or X-ray photoelectron spectroscopy (XPS) combined with Ar{sup +} ion sputtering allowed us to investigate in detail the chemical composition of Ti oxide layers. SEM examinations provided morphological characterization of the surface of Ti samples. The results revealed large difference in morphology of Ti surfaces pretreated with different procedures whereas only minor difference in the chemistry of the surfaces were detected.

pH-Dependent spin state population and 19F NMR chemical shift via remote ligand protonation in an iron(ii) complex.

Science.gov (United States)

Gaudette, Alexandra I; Thorarinsdottir, Agnes E; Harris, T David

2017-11-30

An Fe II complex that features a pH-dependent spin state population, by virtue of a variable ligand protonation state, is described. This behavior leads to a highly pH-dependent 19 F NMR chemical shift with a sensitivity of 13.9(5) ppm per pH unit at 37 °C, thereby demonstrating the potential utility of the complex as a 19 F chemical shift-based pH sensor.

Syntheses and spectroscopic properties of mercury(II) and nickel(II ...

African Journals Online (AJOL)

Mercury(II) complex, [Hg2(BPTU-2H)Cl2] and nickel(II) complex, [Ni(BPTU-H)2] were prepared by reacting Bis(N-phenylthiourea), BPTU, with mercury(II) chloride and nickel(II) acetate respectively. The complexes were characterized by IR, diffuse reflectance, 1H NMR spectra and elemental analysis. BPTU acts as ...

Complex formation of hypoxanthine and 6-mercaptopurine with Cd(II) ion

International Nuclear Information System (INIS)

Perello, L.; Borras, J.; Soto, L.; Gordo, F.J.; Gordo, J.C.

1984-01-01

Reaction of Cd(II) ion with hypoxanthine (H 2 Y) and with 6-mercaptopurine (H 2 MP) in dioxane-water (50%) leads to the formation of CdY x 2H 2 O and Cd(HMP) 2 x 2H 2 O, respectively. In methanolic medium Cd(II) and H 2 MP give Cd(MP) x H 2 O. These compounds have been characterized by chemical analysis, IR spectra and thermogravimetric analysis. The stability constant of CdY complex at 25 +- 0.1 0 C and 1M ionic strength with NaClO 4 in dioxane-water medium is logβ = 10.25 +- 0.05. (Author)

Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(n-heterocyclic carbene) complexes of iron(II)

KAUST Repository

Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pö thig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kü hn, Fritz

2014-01-01

The synthesis of iron(II) complexes bearing new heteroatom-functionalized methylene-bridged bis(N-heterocyclic carbene) ligands is reported. All complexes are characterized by single-crystal X-ray diffraction (SC-XRD), nuclear magnetic resonance

Spectroscopic and thermal degradation behavior of Mg(II), Ca(II), Ba(II) and Sr(II) complexes with paracetamol drug

OpenAIRE

Moamen S. Refat; Gehad G. Mohamed; Mohamed Y. El-Sayed; Hamada M.A. Killa; Hammad Fetooh

2017-01-01

Complexes of Mg(II), Ca(II), Ba(II) and Sr(II) with paracetamol drug were synthesized and characterized by elemental analysis, conductivity, UV–Vis, IR, and 1H NMR spectroscopy and thermal analysis, as well as screened for antimicrobial activity. The IR spectral data suggested that the ligand behaves as paracetamol behaves as a neutral bidentate ligand coordinated to the metal ions via the lone pair of electrons of nitrogen and carbonyl-O atoms of the amide group. From the microanalytical dat...

Isolation and characterization of major histocompatibility complex class II B genes in cranes.

Science.gov (United States)

Kohyama, Tetsuo I; Akiyama, Takuya; Nishida, Chizuko; Takami, Kazutoshi; Onuma, Manabu; Momose, Kunikazu; Masuda, Ryuichi

2015-11-01

In this study, we isolated and characterized the major histocompatibility complex (MHC) class II B genes in cranes. Genomic sequences spanning exons 1 to 4 were amplified and determined in 13 crane species and three other species closely related to cranes. In all, 55 unique sequences were identified, and at least two polymorphic MHC class II B loci were found in most species. An analysis of sequence polymorphisms showed the signature of positive selection and recombination. A phylogenetic reconstruction based on exon 2 sequences indicated that trans-species polymorphism has persisted for at least 10 million years, whereas phylogenetic analyses of the sequences flanking exon 2 revealed a pattern of concerted evolution. These results suggest that both balancing selection and recombination play important roles in the crane MHC evolution.

Synthesis, spectral and theoretical studies of Ni(II), Pd(II) and Pt(II) complexes of 5-mercapto-1,2,4-triazole-3-imine-2‧-hydroxynaphyhaline

Science.gov (United States)

Gaber, Mohamed; El-Ghamry, Hoda; Atlam, Faten; Fathalla, Shaimaa

2015-02-01

Ni(II), Pd(II) and Pt(II) complexes of 5-mercapto-1,2,4-triazole-3-imine-2‧-hydroxynaphthaline have been isolated and characterized by elemental analysis, IR, 1H NMR, EI-mass, UV-vis, molar conductance, magnetic moment measurements and thermogravimetric analysis. The molar conductance values indicated that the complexes are non-electrolytes. The magnetic moment values of the complexes displayed diamagnetic behavior for Pd(II) and Pt(II) complexes and tetrahedral geometrical structure for Ni(II) complex. From the bioinorganic applications point of view, the interaction of the ligand and its metal complexes with CT-DNA was investigated using absorption and viscosity titration techniques. The Schiff-base ligand and its metal complexes have also been screened for their antimicrobial and antitumor activities. Also, theoretical investigation of molecular and electronic structures of the studied ligand and its metal complexes has been carried out. Molecular orbital calculations were performed using DFT (density functional theory) at B3LYP level with standard 6-31G(d,p) and LANL2DZ basis sets to access reliable results to the experimental values. The calculations were performed to obtain the optimized molecular geometry, charge density distribution, extent of distortion from regular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), Mulliken atomic charges, reactivity index (ΔE), dipole moment (D), global hardness (η), softness (σ), electrophilicity index (ω), chemical potential and Mulliken electronegativity (χ).

Chemical synthesis, characterization and evaluation of antimicrobial properties of Cu and its oxide nanoparticles

CSIR Research Space (South Africa)

Motlatle, Abesach M

2016-10-01

Full Text Available of Nanoparticle Research, vol. 18: DOI: 10.1007/s11051-016-3614-8 Chemical synthesis, characterization and evaluation of antimicrobial properties of Cu and its oxide nanoparticles Motlatle AM Kesevan Pillai S Scriba MR Ray SS ABSTRACT: Cu...

Characterization of Angiotensin II Molecular Determinants Involved in AT1 Receptor Functional Selectivity.

Science.gov (United States)

Domazet, Ivana; Holleran, Brian J; Richard, Alexandra; Vandenberghe, Camille; Lavigne, Pierre; Escher, Emanuel; Leduc, Richard; Guillemette, Gaétan

2015-06-01

The octapeptide angiotensin II (AngII) exerts a variety of cardiovascular effects through the activation of the AngII type 1 receptor (AT1), a G protein-coupled receptor. The AT1 receptor engages and activates several signaling pathways, including heterotrimeric G proteins Gq and G12, as well as the extracellular signal-regulated kinases (ERK) 1/2 pathway. Additionally, following stimulation, βarrestin is recruited to the AT1 receptor, leading to receptor desensitization. It is increasingly recognized that specific ligands selectively bind and favor the activation of some signaling pathways over others, a concept termed ligand bias or functional selectivity. A better understanding of the molecular basis of functional selectivity may lead to the development of better therapeutics with fewer adverse effects. In the present study, we developed assays allowing the measurement of six different signaling modalities of the AT1 receptor. Using a series of AngII peptide analogs that were modified in positions 1, 4, and 8, we sought to better characterize the molecular determinants of AngII that underlie functional selectivity of the AT1 receptor in human embryonic kidney 293 cells. The results reveal that position 1 of AngII does not confer functional selectivity, whereas position 4 confers a bias toward ERK signaling over Gq signaling, and position 8 confers a bias toward βarrestin recruitment over ERK activation and Gq signaling. Interestingly, the analogs modified in position 8 were also partial agonists of the protein kinase C (PKC)-dependent ERK pathway via atypical PKC isoforms PKCζ and PKCι. Copyright © 2015 by The American Society for Pharmacology and Experimental Therapeutics.

Design, synthesis, characterization and antibacterial and antifungal activity of a new 2-{(E-[(4-aminophenylimino]-methyl}-4,6-dichlorophenol and its complexes with Co(II, Ni(II, Cu(II and Zn(II: An experimental and DFT study

Directory of Open Access Journals (Sweden)

Bakirdere Emine Gulhan

2016-01-01

Full Text Available In this study, the complexes of Co (II, Ni (II, Cu (II and Zn (II with 2-(E-(4-aminophenyliminomethyl-4,6-dichlorophenol were prepared and characterized by physical, spectral and analytical data. The metal: ligand stoichiometric ratio is 1:2 in all the complexes. The results suggested that the Schiff bases are coordinated to the metal ions through the phenolic oxygens and azomethine nitrogen to give mononuclear complexes. Their structures were elucidated on the basis of elemental analysis, IR, 1H and 13C NMR spectra, UV-VIS, magnetic susceptibility measurements and thermogravimetric analyses. Both the antibacterial and antifungal activities and MIC values of compounds were reported. Among the tested compounds, the most effective compound providing a MIC value of 64 μg/mL is Zn(L2 against C. tropicalis and B. subtilis. The theoretically optimized geometries of complexes have tetrahedral structures. The computed stretching frequencies of C=N, C-O and N-H bonds were found to be in good agreement with experimental data. All calculated frequencies fall within about 5% of the experimental frequency regions.

Atomic Scale Chemical and Structural Characterization of Ceramic Oxide Heterostructure Interfaces

Energy Technology Data Exchange (ETDEWEB)

Singh, R. K.

2003-04-16

The research plan was divided into three tasks: (a) growth of oxide heterostructures for interface engineering using standard thin film deposition techniques, (b) atomic level characterization of oxide heterostructure using such techniques as STEM-2 combined with AFM/STM and conventional high-resolution microscopy (HRTEM), and (c) property measurements of aspects important to oxide heterostructures using standard characterization methods, including dielectric properties and dynamic cathodoluminescence measurements. Each of these topics were further classified on the basis of type of oxide heterostructure. Type I oxide heterostructures consisted of active dielectric layers, including the materials Ba{sub x}Sr{sub 1-x}TiO{sub 3} (BST), Y{sub 2}O{sub 3} and ZrO{sub 2}. Type II heterostructures consisted of ferroelectric active layers such as lanthanum manganate and Type III heterostructures consist of phosphor oxide active layers such as Eu-doped Y{sub 2}O{sub 3}.

Chemical characterization of materials by inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Deb, S.B.; Nagar, B.K.; Saxena, M.K.; Ramakumar, K.L.

2009-11-01

An Inductively Coupled Plasma Mass Spectrometer was procured for trace elemental determination in diverse samples. Since its installation a number of analytical measurements have been carried out on different sample matrices. These include chemical quality control measurements of nuclear fuel and other materials such as uranium metal. Uranium peroxide, ADU, ThO 2 , UO 2 ; isotopic composition of B, Li; chemical characterization of simulated ThO 2 + 2%UO 2 fuel; sodium zirconium phosphate and trace metallic elements in zirconium; Antarctica rock samples and wet phosphoric acid. Necessary separation methodologies required for effective removal of matrix were indigenously developed. In addition, a rigorous analytical protocol, which includes various calibration methodologies such as mass calibration, response calibration, detector cross calibration and linearity check over the entire dynamic range of 109 required for quantitative determination of elements at trace and ultra trace level,, has been standardized. This report summarizes efforts of RACD that have been put in this direction for the application of ICP-MS for analytical measurements. (author)

Characterization of Olive Oil by Ultrasonic and Physico-chemical Methods

Science.gov (United States)

Alouache, B.; Khechena, F. K.; Lecheb, F.; Boutkedjirt, T.

Olive oil excels by its nutritional and medicinal benefits. It can be consumed without any treatment. However, its quality can be altered by inadequate storage conditions or if it is mixed with other kinds of oils. The objective of this work is to demonstrate the ability of ultrasonic methods to characterize and control olive oil quality. By using of a transducer of 2.25 MHz nominal frequency, in pulse echo mode, ultrasonic parameters, such as propagation velocity and attenuation,have been measured for pure olive oil and for its mixtures with sunflower oil at different proportions. Mechanical properties, such as density and viscosity, have also been determined. The results of ultrasonic measurements are consistent with those obtained by physico-chemical methods, such as rancidity degree, acid index, UV specific extinction coefficient and viscosity. They show that the ultrasonic method allows to distinguish between mixtures at different proportions. The study allows concluding that ultrasound techniques can be considered as a useful complement to existing physico-chemical analysis techniques.

Chemical and mineralogical characterization of silicon manganese iron slag as railway ballast

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Ralph Werner Heringer; Barreto, Rairane Aparecida, E-mail: ralph@em.ufop.br, E-mail: rairanebarreto@hotmail.com [Universidade Federal de Ouro Preto (UFOP), MG (Brazil); Fernandes, Gilberto, E-mail: gilberto@unicerp.edu.br [Centro Universitário do Cerrado Patrocínio (UNICERP), Patrocínio, MG (Brazil); Sousa, Fabiano Carvalho, E-mail: fabiano.carvalho.sousa@vale.com [Vale, Belo Horizonte, MG (Brazil)

2017-10-15

In nature, metal ores such as iron, lead, aluminum and others are found in an impure state, sometimes oxidized and mixed with silicates of other metals. During casting, when the ore is exposed to high temperatures, these impurities are separated from the molten metal and can be removed. The mass formed by these compounds is slag. Slag is the co-product of the smelting of ore to purify metals. It may be considered a mixture of metal oxides, but may also contain metal sulphites and metal atoms in their elemental form. After it is reprocessed to separate the metals contained, the co-products of this process can be used in cement, rail ballast, road paving and various other purposes. The objective of this research work is the presentation of the chemical and mineralogical characterization tests of the silicon-manganese iron slag with the purpose of reusing the coproduct as rail ballast. X-ray diffraction tests, quantitative chemical analyzes, scanning electron microscopy and free lime content were prepared for these characterizations. The results of these tests showed the technical feasibility of using slag as rail ballast. (author)

Chemical and mineralogical characterization of silicon manganese iron slag as railway ballast

International Nuclear Information System (INIS)

Oliveira, Ralph Werner Heringer; Barreto, Rairane Aparecida; Fernandes, Gilberto; Sousa, Fabiano Carvalho

2017-01-01

In nature, metal ores such as iron, lead, aluminum and others are found in an impure state, sometimes oxidized and mixed with silicates of other metals. During casting, when the ore is exposed to high temperatures, these impurities are separated from the molten metal and can be removed. The mass formed by these compounds is slag. Slag is the co-product of the smelting of ore to purify metals. It may be considered a mixture of metal oxides, but may also contain metal sulphites and metal atoms in their elemental form. After it is reprocessed to separate the metals contained, the co-products of this process can be used in cement, rail ballast, road paving and various other purposes. The objective of this research work is the presentation of the chemical and mineralogical characterization tests of the silicon-manganese iron slag with the purpose of reusing the coproduct as rail ballast. X-ray diffraction tests, quantitative chemical analyzes, scanning electron microscopy and free lime content were prepared for these characterizations. The results of these tests showed the technical feasibility of using slag as rail ballast. (author)

Adsorption of manganese(II) ions by EDTA-treated activated carbons

Energy Technology Data Exchange (ETDEWEB)

Khan, A.Y.; Mazyck, D.W. [Jones Edmunds & Associates, Gainesville, FL (United States)

2009-07-01

The adsorption of manganese(II) ions from aqueous solution onto three different granular activated carbons treated with ethylenediamine tetraacetic acid (EDTA) and its sodium salt was investigated. Characterization of the chelate-treated carbons showed that EDTA altered the physical and chemical properties of the sorbents relative to their untreated counterparts. Furthermore, the modified sorbents exhibited a heightened capacity towards the adsorption of Mn(II) ions from aqueous media. Manganese(II) ion removal increased from 0 to 6.5 mg/g for the lignite coal-based sorbent, from 3.5 to 14.7 mg/g for the wood-based sorbent and from 1.3 to 7.9 mg/g for the bituminous coal-based sorbent. The increased removal is attributed, in part, to the creation of Lewis base sites that participate in covalent interactions and hydrolysis reactions.

Anti-inflammatory drugs interacting with Zn(II), Cd(II) and Pt(II) metal ions.

Science.gov (United States)

Dendrinou-Samara, C; Tsotsou, G; Ekateriniadou, L V; Kortsaris, A H; Raptopoulou, C P; Terzis, A; Kyriakidis, D A; Kessissoglou, D P

1998-09-01

Complexes of Zn(II), Cd(II) and Pt(II) metal ions with the anti-inflammatory drugs, 1-methyl-5-(p-toluoyl)-1H-pyrrole-2-acetic acid (Tolmetin), alpha-methyl-4-(2-methylpropyl)benzeneacetic acid (Ibuprofen), 6-methoxy-alpha-methylnaphthalene-2-acetic acid (Naproxen) and 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid (indomethacin) have been synthesized and characterized. In the structurally characterized Cd(naproxen)2 complex the anti-inflammatory drugs acts as bidentate chelate ligand coordinatively bound to metal ions through the deprotonated carboxylate group. Crystal data for 1: [C32H26O8Cd], orthorhombic, space group P22(1)2(1), a = 5.693(2) (A), b = 8.760(3) (A), c = 30.74(1) (A), V = 1533(1) A3, Z = 2. Antibacterial and growth inhibitory activity is higher than that of the parent ligands or the platinum(II) diamine compounds.

Towards consensus in chemical characterization modeling for LCA:

DEFF Research Database (Denmark)

Rosenbaum, Ralf; Hauschild, Michael Zwicky; Bachmann, Till

2006-01-01

representing a wide range of substance property combinations. All compared models showed correlation for human health endpoints for generic organics, with high variations on individual chemicals, typically with high Kow. For the other organics and inorganics, less agreement was observed. Influential processes...... and assumptions were identified and agreed upon to implement in all models for harmonization. These were, e.g., an urban box nested in a continental box with fixed surfaces and populations, consistent biotransfer and –concentration factors from experiments or one source/model, vegetation as an exposure pathway......A comprehensive LCIA characterization model comparison is being undertaken in the UNEP/SETAC Life Cycle Initiative, focusing on toxicity impacts and directly involving the developers of all models included. The main objective is to identify where differences come from, what indispensable model...

Evaluation of a biomarker of Cd(II) exposure on Limnoperna fortunei

International Nuclear Information System (INIS)

Mariano, Belaich; Cristian, Oliver; Marcela, Pilloff; Porta, Andres

2006-01-01

The use of organisms to monitor contamination allows the access to information that cannot be acquired by chemical methods. Limnoperna fortunei, mussel frequently found in Rio de la Plata estuary, fulfils the requirements to be used as a biomonitoring organism. In this work we report that a polypeptide of 22 kDa of molecular weight (LF22) is induced when L. fortunei is exposed to Cd (II), Cu(II) and Hg(II) sublethal levels. To characterize LF22, mussels were sampled from a non-polluted region and whole soft tissue was homogenized, with and without previous exposure to 100 μg/L of Cd(II). The cytosolic proteins were evaluated by mono and bidimensional SDS-PAGE, and size exclusion chromatography. All the methods showed that LF22 triples its concentration in presence of Cd(II). Purification of LF22 was achieved by fractioned precipitation, salting-out, ionic exchange and size exclusion chromatography. We conclude that LF22 is a useful biomarker of heavy metal exposure. - Limnoperna fortunei induces a 22 kDa polypeptide in sublethal exposure to Cd(II)

Development and characterization of an exposure platform suitable for physico-chemical, morphological and toxicological characterization of printer-emitted particles (PEPs).

Science.gov (United States)

Pirela, Sandra V; Pyrgiotakis, Georgios; Bello, Dhimiter; Thomas, Treye; Castranova, Vincent; Demokritou, Philip

2014-06-01

An association between laser printer use and emissions of particulate matter (PM), ozone and volatile organic compounds has been reported in recent studies. However, the detailed physico-chemical, morphological and toxicological characterization of these printer-emitted particles (PEPs) and possible incorporation of engineered nanomaterials into toner formulations remain largely unknown. In this study, a printer exposure generation system suitable for the physico-chemical, morphological, and toxicological characterization of PEPs was developed and used to assess the properties of PEPs from the use of commercially available laser printers. The system consists of a glovebox type environmental chamber for uninterrupted printer operation, real-time and time-integrated particle sampling instrumentation for the size fractionation and sampling of PEPs and an exposure chamber for inhalation toxicological studies. Eleven commonly used laser printers were evaluated and ranked based on their PM emission profiles. Results show PM peak emissions are brand independent and varied between 3000 to 1 300 000 particles/cm³, with modal diameters ranging from 49 to 208 nm, with the majority of PEPs in the nanoscale (printer toner) raises questions about health implications to users. The presented PEGS platform will help in assessing the toxicological profile of PEPs and the link to the physico-chemical and morphological properties of emitted PM and toner formulations.

Recent Progress in the Chemical Synthesis of Class II and S-Glycosylated Bacteriocins

Directory of Open Access Journals (Sweden)

François Bédard

2018-05-01

Full Text Available A wide variety of antimicrobial peptides produced by lactic acid bacteria (LAB have been identified and studied in the last decades. Known as bacteriocins, these ribosomally synthesized peptides inhibit the growth of a wide range of bacterial species through numerous mechanisms and show a great variety of spectrum of activity. With their great potential as antimicrobial additives and alternatives to traditional antibiotics in food preservation and handling, animal production and in veterinary and medical medicine, the demand for bacteriocins is rapidly increasing. Bacteriocins are most often produced by fermentation but, in several cases, the low isolated yields and difficulties associated with their purification seriously limit their use on a large scale. Chemical synthesis has been proposed for their production and recent advances in peptide synthesis methodologies have allowed the preparation of several bacteriocins. Moreover, the significant cost reduction for peptide synthesis reagents and building blocks has made chemical synthesis of bacteriocins more attractive and competitive. From a protein engineering point of view, the chemical approach offers many advantages such as the possibility to rapidly perform amino acid substitution, use unnatural or modified residues, and make backbone and side chain modifications to improve potency, modify the activity spectrum or increase the stability of the targeted bacteriocin. This review summarized synthetic approaches that have been developed and used in recent years to allow the preparation of class IIa bacteriocins and S-linked glycopeptides from LAB. Synthetic strategies such as the use of pseudoprolines, backbone protecting groups, microwave irradiations, selective disulfide bridge formation and chemical ligations to prepare class II and S-glycosylsated bacteriocins are discussed.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. L Giribabu. Articles written in Journal of Chemical Sciences. Volume 112 Issue 3 June 2000 pp 357-357. Synthesis and DNA-interactions of new Co(III), Fe(II), Ni(II), Ru(II) and Os(II) complexes of modified phenanthroline ligands · C V Sastria D Easwaramoorthy Athilakshmi L ...

Spectroscopic and thermal degradation behavior of Mg(II, Ca(II, Ba(II and Sr(II complexes with paracetamol drug

Directory of Open Access Journals (Sweden)

Moamen S. Refat

2017-05-01

Full Text Available Complexes of Mg(II, Ca(II, Ba(II and Sr(II with paracetamol drug were synthesized and characterized by elemental analysis, conductivity, UV–Vis, IR, and 1H NMR spectroscopy and thermal analysis, as well as screened for antimicrobial activity. The IR spectral data suggested that the ligand behaves as paracetamol behaves as a neutral bidentate ligand coordinated to the metal ions via the lone pair of electrons of nitrogen and carbonyl-O atoms of the amide group. From the microanalytical data, the stoichiometry of the complexes reacts with Mg(II, Ca(II, Ba(II and Sr(II by molar ratios (2:1 (paracetamol:metal ion. The thermal behavior (TG/DTG of the complexes was studied. The ligand and their metal complexes were screened against both of antibacterial and fungicidal activities.

Integrating mechanistic and polymorphism data to characterize human genetic susceptibility for environmental chemical risk assessment in the 21st century

International Nuclear Information System (INIS)

Mortensen, Holly M.; Euling, Susan Y.

2013-01-01

Response to environmental chemicals can vary widely among individuals and between population groups. In human health risk assessment, data on susceptibility can be utilized by deriving risk levels based on a study of a susceptible population and/or an uncertainty factor may be applied to account for the lack of information about susceptibility. Defining genetic susceptibility in response to environmental chemicals across human populations is an area of interest in the NAS' new paradigm of toxicity pathway-based risk assessment. Data from high-throughput/high content (HT/HC), including -omics (e.g., genomics, transcriptomics, proteomics, metabolomics) technologies, have been integral to the identification and characterization of drug target and disease loci, and have been successfully utilized to inform the mechanism of action for numerous environmental chemicals. Large-scale population genotyping studies may help to characterize levels of variability across human populations at identified target loci implicated in response to environmental chemicals. By combining mechanistic data for a given environmental chemical with next generation sequencing data that provides human population variation information, one can begin to characterize differential susceptibility due to genetic variability to environmental chemicals within and across genetically heterogeneous human populations. The integration of such data sources will be informative to human health risk assessment

Physico-chemical and biological characterization of urban municipal landfill leachate.

Science.gov (United States)

Naveen, B P; Mahapatra, Durga Madhab; Sitharam, T G; Sivapullaiah, P V; Ramachandra, T V

2017-01-01

Unscientific management and ad-hoc approaches in municipal solid waste management have led to a generation of voluminous leachate in urban conglomerates. Quantification, quality assessment, following treatment and management of leachate has become a serious problem worldwide. In this context, the present study investigates the physico-chemical and biological characterization of landfill leachate and nearby water sources and attempts to identify relationships between the key parameters together with understanding the various processes for chemical transformations. The analysis shows an intermediate leachate age (5-10 years) with higher nutrient levels of 10,000-12,000 mg/l and ∼2000-3000 mg/l of carbon (COD) and nitrogen (TKN) respectively. Elemental analysis and underlying mechanisms reveal chemical precipitation and co-precipitation as the vital processes in leachate pond systems resulting in accumulation of trace metals. Based on the above criteria the samples were clustered into major groups that showed a clear distinction between leachate and water bodies. The microbial analysis showed bacterial communities correlating with specific factors relevant to redox environments indicating a gradient in nature and abundance of biotic diversity with a change in leachate environment. Finally, the quality and the contamination potential of the samples were evaluated with the help of leachate pollution index (LPI) and water quality index (WQI) analysis. The study helps in understanding the contamination potential of landfill leachate and establishes linkages between microbial communities and physico-chemical parameters for effective management of landfill leachate. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nutritional profiling of Eurasian woodcock meat: chemical composition and myoglobin characterization.

Science.gov (United States)

Landi, Nicola; Ragucci, Sara; Di Giuseppe, Antonella Ma; Russo, Rosita; Poerio, Elia; Severino, Valeria; Di Maro, Antimo

2018-04-10

Meat from birds is a rich source of proteins for the human diet. In this framework, Eurasian woodcock (Scolopax rusticola L.), a medium-small wading bird hunted as game in many Eurasian countries, is considered one of the best meats for culinary purposes. Since the nutritional composition of Eurasian woodcock meat has not yet been reported, we decided to determine the nutritional profile of S. rusticola meat. Macronutrient components (proteins, lipids and fatty acids) were determined, as well as free and total amino acids, and compared with those of the common pheasant. Eurasian woodcock meat contains high levels of proteins and essential amino acids. The levels of unsaturated fatty acids represent a great contribution to the total lipid amount. Among polyunsaturated fatty acids, linoleic acid (C18:2, n-6) is the major essential fatty acid. Finally, we report the characterization of myoglobin (Mb) from Eurasian woodcock. The data revealed that meat from this bird could be a good source of quality raw proteins because of its amino acid composition, and it had a low lipid content. On the other hand, Mb characterization might be of benefit to the meat industry, by providing useful information for the determination of species-specific differences in meat from birds. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Preparation of Schiff s base complexes of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) and their spectroscopic, magnetic, thermal, and antifungal studies

International Nuclear Information System (INIS)

Parekh, H.M.; Patel, M.N.

2006-01-01

The potassium salt of salicylidene-DL-alanine (KHL), bis(benzylidene)ethylenediamine (A 1 ), thiophene-o-carboxaldene-p-toluidine (A 2 ), and its metal complexes of the formula [(M II (L)(A)(H 2 O)] (M=Mn(II), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II); A = A 1 or A 2 ) are prepared. They are characterized by elemental analysis, magnetic susceptibility measurements, thermogravimetric analysis, and infrared and electronic spectral studies. The electronic spectral and magnetic moment data suggest an octahedral geometry for the complexes. All of these complexes, metal nitrates, fungicides (bavistin and emcarb), and ligands are screened for their antifungal activity against Aspergillus niger, Fusarium oxysporum, and Aspergillus flavus using a plate poison technique. The complexes show higher activity than those of the free ligands, metal nitrate, and the control (DMSO) and moderate activity against bavistin and emcarb [ru

A multi-technique chemical characterization of a Stradivari decorated violin top plate

Science.gov (United States)

Malagodi, M.; Canevari, C.; Bonizzoni, L.; Galli, A.; Maspero, F.; Martini, M.

2013-08-01

This paper focuses on the characterization of the materials of a violin top plate made by Antonio Stradivari (17th century), with different diagnostic techniques and with an integrated and non-destructive analytical methodology to study surface coatings and decorations. The UV-induced visible fluorescence, optical digital microscopy, ED-XRF associated with micro-FTIR spectroscopy analysis, and dendrochronology were performed. The investigations were aimed to identify the presence of original varnish layers and to characterize the composition of the decorations, either the inlaid purflings or the composite false-inlay strip between them. Several results were achieved: (i) evidence of the absence of varnish layers on the surface as a result of extended and inappropriate restoring; (ii) identification of the dye used for the black layers of the purflings; (iii) characterization of the black matrix and the white elements of the decoration. Furthermore, a dendrochronological dating was performed. A copy of the top plate was realized with materials similar to those identified on the Stradivari original; the same analyses performed on the original model were carried out on the same areas of the copy.

Syntheses and spectroscopic properties of mercury(II) and nickel(II ...

African Journals Online (AJOL)

Syntheses and spectroscopic properties of mercury(II) and nickel(II) ... The complexes were characterized by IR, diffuse reflectance, 1H NMR spectra and elemental ... coordinating through thiolato sulphur and hydrazinic nitrogen atoms.

Use of comparative genomics approaches to characterize interspecies differences in response to environmental chemicals: Challenges, opportunities, and research needs

International Nuclear Information System (INIS)

Burgess-Herbert, Sarah L.; Euling, Susan Y.

2013-01-01

A critical challenge for environmental chemical risk assessment is the characterization and reduction of uncertainties introduced when extrapolating inferences from one species to another. The purpose of this article is to explore the challenges, opportunities, and research needs surrounding the issue of how genomics data and computational and systems level approaches can be applied to inform differences in response to environmental chemical exposure across species. We propose that the data, tools, and evolutionary framework of comparative genomics be adapted to inform interspecies differences in chemical mechanisms of action. We compare and contrast existing approaches, from disciplines as varied as evolutionary biology, systems biology, mathematics, and computer science, that can be used, modified, and combined in new ways to discover and characterize interspecies differences in chemical mechanism of action which, in turn, can be explored for application to risk assessment. We consider how genetic, protein, pathway, and network information can be interrogated from an evolutionary biology perspective to effectively characterize variations in biological processes of toxicological relevance among organisms. We conclude that comparative genomics approaches show promise for characterizing interspecies differences in mechanisms of action, and further, for improving our understanding of the uncertainties inherent in extrapolating inferences across species in both ecological and human health risk assessment. To achieve long-term relevance and consistent use in environmental chemical risk assessment, improved bioinformatics tools, computational methods robust to data gaps, and quantitative approaches for conducting extrapolations across species are critically needed. Specific areas ripe for research to address these needs are recommended

HANFORD CHEMICAL VAPORS WORKER CONCERNS and EXPOSURE EVALUATION

International Nuclear Information System (INIS)

ANDERSON, T.J.

2006-01-01

Chemical vapor emissions from underground hazardous waste storage tanks on the Hanford site in eastern Washington State are a potential concern because workers enter the tank farms on a regular basis for waste retrievals, equipment maintenance, and surveillance. Tank farm contractors are in the process of retrieving all remaining waste from aging single-shell tanks, some of which date to World War II, and transferring it to newer double-shell tanks. During the waste retrieval process, tank farm workers are potentially exposed to fugitive chemical vapors that can escape from tank headspaces and other emission points. The tanks are known to hold more than 1,500 different species of chemicals, in addition to radionuclides. Exposure assessments have fully characterized the hazards from chemical vapors in half of the tank farms. Extensive sampling and analysis has been done to characterize the chemical properties of hazardous waste and to evaluate potential health hazards of vapors at the ground surface, where workers perform maintenance and waste transfer activities. Worker concerns. risk communication, and exposure assessment are discussed, including evaluation of the potential hazards of complex mixtures of chemical vapors. Concentrations of vapors above occupational exposure limits-(OEL) were detected only at exhaust stacks and passive breather filter outlets. Beyond five feet from the sources, vapors disperse rapidly. No vapors have been measured above 50% of their OELs more than five feet from the source. Vapor controls are focused on limited hazard zones around sources. Further evaluations of vapors include analysis of routes of exposure and thorough analysis of nuisance odors

Characterization for rbs of layers de grown cdznse for chemical deposition (cbd)

International Nuclear Information System (INIS)

Pedrero, E.; Larramendi, E.; Calzadilla, O.

1999-01-01

Depth and composition of CdZnSe thin films grown by Chemical Bath Deposition were characterized by Rutherford Backscattering Spectrometry. Depth and the relative cuantitity of Se, both decrease when annealed in air. The films have a non-stoichiometric Cd:Zn:Se composition constant from the substrate to the surface , with vacancies of Se. After annealing all the films come up to a similar composition: Cd( Zn 0.2 )Se

Synthesis and Spectral Investigations of Manganese(II, Cobalt(II, Nickel(II, Copper(II and Zinc(II Complexes of New Polydentate Ligands Containing a 1,8-Naphthyridine Moiety

Directory of Open Access Journals (Sweden)

Sunkari Jyothi

2006-12-01

Full Text Available 2-(o-Hydroxyphenyl-1,8-naphthyridine (HN, 2-(4-hydroxy-6-methylpyran-2-one-3-yl-1,8-naphthyridine (HMPN and 2-(benzimidazol-2-yl-1,8-naphthyridine(BN react with acetates of Mn(II, Co(II, Ni(II, Cu(II and Zn(II to yield metal ioncomplexes of definite composition. These compounds were characterized by elementalanalyses, molar conductivity, magnetic susceptibility measurements, thermal studies, IR,UV-visible, NMR and mass spectral investigations. The complexes are found to have theformulae [M(HN2(H2O2], [M(HMPN2(H2O2] and [M(BN2(OAc2], respectively.

Chemical Characterization and Behavior of Respirable Fractions of Indoor Dusts Collected Near a Landfill Facility

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Rheo B. Lamorena-Lim

2016-06-01

Full Text Available The study aims to determine the inorganic and organic phases in airborne particulate matter (PM collected near a landf ill facility. The establishments within the vicinity of the landfill considered in the study were a junk shop, a school, and a money changer shop. From the elemental analysis using inductively-coupled plasma mass spectrometry (ICP-MS, lead and cadmium were discovered to be more abundant in the total suspended particulate (TSP fraction, whereas copper was more abundant in the smaller PM2.5. Manganese, arsenic, strontium, cadmium, and lead were more abundant in the PM10 fraction than in PM2.5. The results of the chemical characterization were compiled and evaluated in a geochemical modelling code (PHREEQC to determine the potential speciation of these chemical constituents. Solution complexes of As, Pb, Cd and phthalates, and metal species, such as H2AsO3- , Cd2OH3+, Pb(OH3-, were predicted to form by the PHREEQC simulation runs once the endmember components interact with water. The results contribute to the background information on the potential impacts from exposure to airborne PM at workplaces around landfill facilities. Moreover, the data gathered provide a baseline for the chemical characterization and behavior of chemical constituents of PM possibly present in this specific type of environment.

Characterization of waste ceramic process for lost wax casting for employment as pozzolan

International Nuclear Information System (INIS)

Machado, C.F.; Moravia, W.G.

2012-01-01

There are about 30 companies of Lost Wax Casting in Brazil, and each one of them disposes around 50 to 100 tons of waste ceramic shell monthly. This work is concerned in the physical, chemical and microstructural characterization to evaluated the reactivity of this material. It was analyzed also the environmental risk of the material. The tests were made with a ceramic shell ground to evaluate the aspect of sustainable waste. In the physical characterization of the waste the density, specific surface area and distribution of the particle size were analyzed. In the chemical characterization, the powder was subjected to essays of fluorescence and pozzolanic activity. As for microstructural characterization scanning electron microscopy and Xray diffraction were carried out. The analysis of results shows that the ceramic shell powder is classified as non-inert waste, II-A Class, with density of 2,59 g/cm³. (author)

Complex formation of hypoxanthine and 6-mercaptopurine with Cd(II) ion

Energy Technology Data Exchange (ETDEWEB)

Perello, L.; Borras, J.; Soto, L.; Gordo, F.J.; Gordo, J.C. (Valencia Univ. (Spain))

1984-01-01

Reaction of Cd(II) ion with hypoxanthine (H/sub 2/Y) and with 6-mercaptopurine (H/sub 2/MP) in dioxane-water (50%) leads to the formation of CdY x 2H/sub 2/O and Cd(HMP)/sub 2/ x 2H/sub 2/O, respectively. In methanolic medium Cd(II) and H/sub 2/MP give Cd(MP) x H/sub 2/O. These compounds have been characterized by chemical analysis, IR spectra and thermogravimetric analysis. The stability constant of CdY complex at 25 +- 0.1/sup 0/C and 1M ionic strength with NaClO/sub 4/ in dioxane-water medium is log..beta.. = 10.25 +- 0.05.

Temperature buffer test. Hydro-mechanical and chemical/ mineralogical characterizations

International Nuclear Information System (INIS)

Aakesson, Mattias; Olsson, Siv; Dueck, Ann; Nilsson, Ulf; Karnland, Ola; Kiviranta, Leena; Kumpulainen, Sirpa; Linden, Johan

2012-01-01

The Temperature Buffer Test (TBT) is a joint project between SKB/ANDRA and supported by ENRESA (modeling) and DBE (instrumentation), which aims at improving the understanding and to model the thermo-hydro-mechanical behavior of buffers made of swelling clay submitted to high temperatures (over 100 deg C) during the water saturation process. The test has been carried out in a KBS-3 deposition hole at Aspo HRL. It was installed during the spring of 2003. Two steel heaters (3 m long, 0.6 m diameter) and two buffer arrangements have been investigated: the lower heater was surrounded by rings of compacted Wyoming bentonite only, whereas the upper heater was surrounded by a composite barrier, with a sand shield between the heater and the bentonite. The test was dismantled and sampled during the winter of 2009/2010. This report presents the hydro-mechanical and chemical/mineralogical characterization program which was launched subsequent to the dismantling operation. The main goal has been to investigate if any significant differences could be observed between material from the field experiment and the reference material. The field samples were mainly taken from Ring 4 (located at the mid-section around the lower heater), in which the temperature in the innermost part reached 155 deg C. The following hydro-mechanical properties have been determined for the material (test technique within brackets): hydraulic conductivity (swelling pressure device), swelling pressure (swelling pressure device), unconfined compression strength (mechanical press), shear strength (triaxial cell) and retention properties (jar method). The following chemical/mineralogical properties (methods within brackets) were determined: anion analysis of water leachates (IC), chemical composition (ICP/AES+MS, EGA), cation exchange capacity (CEC, Cu-trien method) and exchangeable cations (exchange with NH4, ICPAES), mineralogical composition (XRD and FTIR), element distribution and microstructure (SEM and

Reactive chemically modified piezoelectric crystal detectors: A new class of high-selectivity sensors

International Nuclear Information System (INIS)

Fadeev, A.Yu.; Filatov, A.L.; Lisichkin, G.V.

1994-01-01

A great number of works have focused on the study of properties of modified piezoelectric quartz crystal detectors (PQCDs) coated with sorbing substrates and on applying sensors based on them for the analysis of diluted gas mixtures and solutions. This work offers a new class of gravemetric sensors characterized by a reversible chemical reaction that occurs on their surface. Silica films are proposed as a sorbing coating of quartz detectors, and a chemical modification of a surface is suggested for covalent fixation of the necessary compounds. PQCDs were chemically modified with reactive diene derivatives that can also act as dienophiles. Hexachlorocyclopentadiene (HCCPD, resonater I) and cyclopentadiene (CPD, resonator II) were fixed on a PQCD surface in several stages. After treatment with the resonaters, the PQCD in a CPD gas phase exhibited time dependent frequency shifts from 20-100 Hz. The results suggest that there is a reversible chemical reaction on the electrode surface of resonators I and II when they interact with CPD vapors. Therefore, PQCDs modified with reactive dienes were prepared for the first time and may be employed as selective sensors for CPD

Characterization of hydroxybenzoic acid chelating resins: equilibrium, kinetics, and isotherm profiles for Cd(II and Pb(II uptake

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BHAVNA A. SHAH

2011-06-01

Full Text Available Chelating ion-exchange resins were synthesized by polycondensation of ortho/para hydroxybenzoic acid with resorcinol/catechol employing formaldehyde as cross-linking agent at 80±5 °C in DMF. The resins were characterized by FTIR and XRD. The uptake behaviour of synthesized resins for Cd(II and Pb(II ions have been studied depending on contact time, pH, metal ion concentration and temperature. The sorption data obtained at optimized conditions were analyzed by the Langmuir and Freundlich isotherms. Experimental data of all metal–resin system were best represented by the Freundlich isotherm. The maximum obtained sorption capacity for cadmium was 69.53 mg g-1 and 169.32 mg g-1 for Lead. The adsorption process follows first order kinetics and the specific rate constant Kr was obtained by the application of the Lagergan equation. Thermodynamic parameters ∆Gads, ∆Sads and ∆Hads were calculated for the metal–resin systems. The external diffusion rate constant (KS and the intra-particle diffusion rate constant (Kid were calculated by the Spahn–Schlunder and Weber–Morris models, respectively. The sorption process was found to follow an intra-particle diffusion phenomenon.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. V Umamaheswari. Articles written in Journal of Chemical Sciences. Volume 112 Issue 4 August 2000 pp 439-448 Inorganic and Analytical. Isomorphous substitution of Mn(II), Ni(II) and Zn(II) in AlPO-31 molecular sieves and study of their catalytic performance.

Characterization of chemical composition, surface area pore, and thermal properties of zeolites from Bayah, Tasikmalaya, and Lampung

International Nuclear Information System (INIS)

Ginting, Aslina Br.; Dian Anggraini; Sutri Indaryati; Rosika Kriswarini

2007-01-01

Characterization of chemical composition, surface area, pore radius, adsorption, and thermal properties of zeolites from Bayah, Tasikmalaya, and Lampung have been performed. The purpose of the characterization is to understand the characteristics of the three zeolites since different types of zeolite will yield different chemical composition, surface area, pore radius, and adsorption. The analysis shows that zeolites from Bayah, Tasikmalaya, and Lampung consist of chemical elements Al, Si, P, K, Ca, Ti, Fe, and S. The analysis of the surface area indicates that zeolite from Lampung has surface area of 10.0477 m 2 , pore radius of 16.0653 Å, and adsorption of 24.500 ml/g, which are greater than those of zeolite from Tasikmalaya with surface area of 6.3319 m2, pore radius of 16.2350 Å, adsorption of 13.2500 ml/g, zeolite from Bayah with surface area of 8.3528 m2, pore radius of 16.2350 Å, and adsorption of 13.250 ml/g. From of the thermal properties characterization it is shown the three zeolites experienced weight reduction from 5.93% to 8.33%, which results in the formation of new phases as indicated by endothermic reactions from 150 °C to 600 °C and from 850 °C to 1000 °C. The three zeolites experienced a decrease in heat capacity up to temperature of 199.96 °C, whereas at temperatures above 216.66 °C the zeolites experienced an increase in heat capacity up to 437.78 °C. The results of the characterization indicate that different types of zeolite do not yield significant difference in chemical composition and thermal characteristics as proven with F test, however different surface area, pore radius, and adsorption characteristics are observed. The characterization results are expected to be the first step in determining the characteristics of the three zeolites that are to be used for cesium ion exchange in the incoming research. (author)

Chemical speciation of L-glutamine complexes with Co(II), Ni(II) and ...

African Journals Online (AJOL)

The trend in the variation of stability constants of the complexes with mole fraction of the surfactant is attributed to the compartmentalization of complexation equilibria. Distribution of species and effect of influential parameters on chemical speciation have also been presented. KEY WORDS: Chemical speciation, complex ...

Magnetic Study of the Novel Polynuclear Compound [Cu(II)(6-Mercaptopurinolate 2-)] n

Science.gov (United States)

Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero, Roberto

1997-08-01

Chemical reactions between Cu(II) and 6-mercaptopurine, both in aqueous and in methanolic media, yield the novel amorphous polynuclear compound [Cu(II)(6-mercaptopurinolate)2-]n, which is also obtained from diverse Cu(II)-heterocyclic ligand competitive reactions. The kinetic and thermodynamic stabilities associated with the formation of this compound are inferred as remarkable. The spectroscopic data let us suggest the involvement of the exocyclic S(6) donor site and the N atoms in the imidazolic moiety of the deprotonated heterocyclic ligand in the coordination to Cu(II) atoms, forming a distorted bidimensional metallic network. The magnetic studies show the existence of very weak antiferromagnetic coupling in the solid sample. This system represents the first example of a 1 : 1 metal : 6-mercaptopurinolate2-system with ad-type open shell metallic center. The magnetic study carried out also represents the first example of magnetic characterization for this type of polynuclear Cu(II) systems with the dianionic 6-mercaptopurine ligand.

A New Statistical Approach to Characterize Chemical-Elicited Behavioral Effects in High-Throughput Studies Using Zebrafish.

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Guozhu Zhang

Full Text Available Zebrafish have become an important alternative model for characterizing chemical bioactivity, partly due to the efficiency at which systematic, high-dimensional data can be generated. However, these new data present analytical challenges associated with scale and diversity. We developed a novel, robust statistical approach to characterize chemical-elicited effects in behavioral data from high-throughput screening (HTS of all 1,060 Toxicity Forecaster (ToxCast™ chemicals across 5 concentrations at 120 hours post-fertilization (hpf. Taking advantage of the immense scale of data for a global view, we show that this new approach reduces bias introduced by extreme values yet allows for diverse response patterns that confound the application of traditional statistics. We have also shown that, as a summary measure of response for local tests of chemical-associated behavioral effects, it achieves a significant reduction in coefficient of variation compared to many traditional statistical modeling methods. This effective increase in signal-to-noise ratio augments statistical power and is observed across experimental periods (light/dark conditions that display varied distributional response patterns. Finally, we integrated results with data from concomitant developmental endpoint measurements to show that appropriate statistical handling of HTS behavioral data can add important biological context that informs mechanistic hypotheses.

Molecular characterization of kerogens by mild selective chemical degradation - ruthenium tetroxide oxidation

Energy Technology Data Exchange (ETDEWEB)

Boucher, R.J.; Standen, G.; Eglinton, G. (University of Bristol, Bristol (UK). Organic Geochemistry Unit)

1991-06-01

Molecular characterization of two kerogen isolates (Messel and Kimmeridge Clay), two kerogen-rich shales (green River and Maoming) and a coal, (Loy Yang) was undertaken using selective chemical degradation with ruthenium tetroxide (RuO{sub 4}). The RuO{sub 4} oxidation gave extracts which were soluble in dichloromethane and contained series of straight chain monocarboxylic acids, {alpha},{omega}-dicarboxylic acids, branched mono- and dicarboxylic acids, isoprenoid and cyclic acids. Straight chain carboxylic acids were predominant (65-87% of quantified chromatogram components for the range of sedimentary organic matter studied), reflecting the major content of polymethylene chains in these kerogens. This mild, oxidative technique serves to differentiate kerogens at a molecular level, thereby supplementing existing conventional chemical, pyrolytic, n.m.r. and other techniques. 39 refs., 3 figs., 5 tabs.

Characterization of tin dioxide film for chemical vapors sensor

International Nuclear Information System (INIS)

Hafaiedh, I.; Helali, S.; Cherif, K.; Abdelghani, A.; Tournier, G.

2008-01-01

Recently, oxide semiconductor material used as transducer has been the central topic of many studies for gas sensor. In this paper we investigated the characteristic of a thick film of tin dioxide (SnO 2 ) film for chemical vapor sensor. It has been prepared by screen-printing technology and deposited on alumina substrate provided with two gold electrodes. The morphology, the molecular composition and the electrical properties of this material have been characterized respectively by Atomic Force Spectroscopy (AFM), Fourier Transformed Infrared Spectroscopy (FTIR) and Impedance Spectroscopy (IS). The electrical properties showed a resistive behaviour of this material less than 300 deg. C which is the operating temperature of the sensor. The developed sensor can identify the nature of the detected gas, oxidizing or reducing

Preparation of Copper (II) Containing Phosphomolybdic Acid Salt as Catalyst for the Synthesis of Biodiesel by Esterification.

Science.gov (United States)

Cai, Jie; Zhang, Qiu-Yun; Wei, Fang-Fang; Huang, Jin-Shu; Feng, Yun-Mei; Ma, Hai-Tao; Zhang, Yutao-

2018-04-01

Copper (II) containing phosphomolybdic acid (PMA) catalysts were synthesized by ion exchange method and characterization using various physico-chemical techniques such as X-ray diffraction (XRD), fourier transform infrared spectroscopy (FT-IR), thermogravimetric (TG) and scanning electron microscopy (SEM). The characterization results showed that the Keggin ions were retained in the catalysts and possessed well thermal stability. The catalytic esterification of lauric acid with methanol could be easily achieved about 78.7% conversion under optimum condition, the catalyst also contributed to the stability of the catalyst in which it can be reused for a certain time. This study demonstrated an alternative approach to biodiesel production with high efficiency by Cu (II) ion exchanged phosphomolybdic acid catalyst in the esterification catalytic.

Nickel(II) and copper(II) complexes of N,N-dialkyl-N‧-3-chlorobenzoylthiourea: Synthesis, characterization, crystal structures, Hirshfeld surfaces and antimicrobial activity

Science.gov (United States)

Binzet, Gun; Gumus, Ilkay; Dogen, Aylin; Flörke, Ulrich; Kulcu, Nevzat; Arslan, Hakan

2018-06-01

We synthesized four new N,N-dialkyl-N‧-3-chlorobenzoylthiourea ligands (Alkyl: Dimethyl, diethyl, di-n-propyl and di-n-butyl) and their metal complexes with copper and nickel atoms. The structure of all synthesized compounds was fully characterized by physicochemical, spectroscopic and single crystal X-ray diffraction analysis techniques. The physical, spectral and analytical data of the newly synthesized metal complexes have shown the formation of 1:2 (metal:ligand) ratio. The benzoylthiourea ligands coordinate with metal atoms through oxygen and sulphur atoms. The metal atoms are in slightly distorted square-planar coordination geometry in Ni(II) or Cu(II) complex. Two oxygen and two sulphur atoms are mutually cis to each other in Ni(II) or Cu(II) complex. The intermolecular contacts in the compounds, which are HL1 and HL3, were examined by Hirshfeld surfaces and fingerprint plots using the data obtained from X-ray single crystal diffraction measurement. Besides these, their antimicrobial activities against Gram-positive bacteria (Bacillus subtilis, Staphylococcus aureus, Streptococcus pyogenes and Enterococcus faecalis) and Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and anti-yeast activity (Candida glabrata, Candida parapsilosis and Candida albicans) were investigated. This exhibited some promising results towards testing organism. Among all the compounds, Ni(L1)2 complex showed high activity against Bacillus subtilis with MIC values at 7.81 μg/mL.

Analytical robustness of quantitative NIR chemical imaging for Islamic paper characterization

Science.gov (United States)

Mahgoub, Hend; Gilchrist, John R.; Fearn, Thomas; Strlič, Matija

2017-07-01

Recently, spectral imaging techniques such as Multispectral (MSI) and Hyperspectral Imaging (HSI) have gained importance in the field of heritage conservation. This paper explores the analytical robustness of quantitative chemical imaging for Islamic paper characterization by focusing on the effect of different measurement and processing parameters, i.e. acquisition conditions and calibration on the accuracy of the collected spectral data. This will provide a better understanding of the technique that can provide a measure of change in collections through imaging. For the quantitative model, special calibration target was devised using 105 samples from a well-characterized reference Islamic paper collection. Two material properties were of interest: starch sizing and cellulose degree of polymerization (DP). Multivariate data analysis methods were used to develop discrimination and regression models which were used as an evaluation methodology for the metrology of quantitative NIR chemical imaging. Spectral data were collected using a pushbroom HSI scanner (Gilden Photonics Ltd) in the 1000-2500 nm range with a spectral resolution of 6.3 nm using a mirror scanning setup and halogen illumination. Data were acquired at different measurement conditions and acquisition parameters. Preliminary results showed the potential of the evaluation methodology to show that measurement parameters such as the use of different lenses and different scanning backgrounds may not have a great influence on the quantitative results. Moreover, the evaluation methodology allowed for the selection of the best pre-treatment method to be applied to the data.

Physical and chemical characterization of surfaces of nitrogen implanted steels

International Nuclear Information System (INIS)

Moncoffre, N.

1986-01-01

The studied steels are of industrial type (42CD4, 100C6, Z200C13). Very often, the low carbon steel XCO6 has been used as a reference material. The aim of the research is to understand and to explain the mechanisms of wear resistance to improvement. A good characterization of the implanted layer is thus necessary. It implies to establish the distribution profiles of the implanted ions to identify the chemical and structural state of the phases created during implantation as a function of various implantation parameters (dose, temperature). Temperature is the particularly parameter. Its influence is put in evidence both during implantation and during annealings under vacuum. Nitrogen distribution profiles are performed thanks to the non destructive 15 N(p,αγ) 12 C nuclear reaction. The chemical state of the Fe-N phases formed by implantation is determined using first Electron Conversion Moessbauer Spectroscopy and secondly, as a complement, using grazing angle X ray diffraction. The detected compounds are ε-nitrides, ε-carbonitrides, (N) - martensite and α-Fe 16 N 2 whose evolution is carefully followed versus temperature. The diffraction technique reveals a texture of the implanted layer. This preferentiel orientation is found to be temperature dependent but dose independent. The carbon presence at the surface is studied as a function of implantation conditions (vacuum, temperature, dose). Carbon profiling is obtained using α backscattering ( 12 C(α,α') reaction at 5,7 MeV). Thus is achieved a complete characterization of the implanted zone whose evolution as a function of implantation parameters (especially temperature) is correlated with tribological results [fr

Synthesis and characterization of monomeric and dimeric manganese(II and zinc(II complexes of pyridine-2-carbaldoxime

Directory of Open Access Journals (Sweden)

Jørgen Glerup

2000-12-01

Full Text Available The syntheses and characterization of two complexes of manganese(II and one complex of zinc(II with the ligand pyridine-2-carbaldoxime, C6H6N2O, are described. The monomeric manganese(II complex cis-[Mn(C6H6N2O 2Cl2] (1 crystallizes in the orthorhombic space group Pbcn with 4 formula units in a cell of dimensions a = 12.479(3 Å, b = 10.348(2 Å, and c = 11. 974(2 Å. The structure has been refined to a final value of the conventional R-factor of 0.0330 based on 1513 observed independent reflections. The analogous zinc(II complex, cis-[Zn(C6H6N2O2Cl2] (2 also crystallizes in the orthorhombic space group Pbcn with 4 formula units in a cell of dimensions a = 12.215(2 Å, b = 10.383(2 Å, and c = 12. 016(2 Å. The structure has been refined to a final value of the conventional R-factor of 0.0377 based on 1117 observed independent reflections. The two complexes are isostructural, with the central metal atom lying on a crystallographic 2-fold axis. Both complexes are approximately octahedral, the coordination being provided by two trans pyridine nitrogen atoms and two cis amine nitrogen atoms from the oxime ligands, and by two cis chlorides. The dimeric manganese(II complex [(C6H6N2O(CH3OHClMnCl2MnCl(CH3OH(C6H6N2O] (3 crystallizes in the monoclinic space group P21/n with 2 formula units in a cell of dimensions a = 7.895(2 Å, b = 11.196(3 Å, and c = 12. 544(2 Å, and b = 98.39(2o. The structure has been refined to a final value of the conventional R-factor of 0.0312 based on 1568 observed independent reflections. There is a crystallographic inversion center in the middle of the dimer relating one manganese center to the other. The geometry at each manganese(II center is again roughly octahedral, coordination being provided by two nitrogen atoms from the oxime ligand, a terminal chloride ion trans to the amine nitrogen, the oxygen atom of the coordinated methanol molecule, and two bridging chlorides that link the two halves of the dimer. The Mn

Midrange affinity fluorescent Zn(II) sensors of the Zinpyr family: syntheses, characterization, and biological imaging applications.

Science.gov (United States)

Nolan, Elizabeth M; Jaworski, Jacek; Racine, Maryann E; Sheng, Morgan; Lippard, Stephen J

2006-11-27

The syntheses and photophysical characterization of ZP9, 2-{2-chloro-6-hydroxy-3-oxo-5-[(2-{[pyridin-2-ylmethyl-(1H-pyrrol-2-ylmethyl)amino]methyl}phenylamino)methyl]-3H-xanthen-9-yl}benzoic acid, and ZP10, 2-{2-chloro-6-hydroxy-5-[(2-{[(1-methyl-1H-pyrrol-2-ylmethyl)pyridin-2-ylmethylamino]methyl}phenylamino)methyl]-3-oxo-3H-xanthen-9-yl}benzoic acid, two asymmetrically derivatized fluorescein-based dyes, are described. These sensors each contain an aniline-based ligand moiety functionalized with a pyridyl-amine-pyrrole group and have dissociation constants for Zn(II) in the sub-micromolar (ZP9) and low-micromolar (ZP10) range, which we define as "midrange". They give approximately 12- (ZP9) and approximately 7-fold (ZP10) fluorescence turn-on immediately following Zn(II) addition at neutral pH and exhibit improved selectivity for Zn(II) compared to the di-(2-picolyl)amine-based Zinpyr (ZP) sensors. Confocal microscopy studies indicate that such asymmetrical fluorescein-based probes are cell permeable and Zn(II) responsive in vivo.

Performance Characterization of LCLS-II Superconducting Radiofrequency Cryomodules

Energy Technology Data Exchange (ETDEWEB)

Gregory, RuthAnn [Michigan State Univ., East Lansing, MI (United States)

2017-11-10

This paper will describe the LCLS (Linac Coherent Light Source)-II, Fermilab’s role in the development of LCLS-II, and my contributions as a Lee Teng intern. LCLS-II is a second generation x-ray free electron laser being constructed at SLAC National Accelerator Laboratory. Fermilab is responsible for the design, construction, and testing of several 1.3 GHz cryomodules to be used in LCLS-II. These cryomodules are currently being tested at Fermilab. Some software was written to analyze the data from the cryomodule tests. This software assesses the performance of the cryomodules by looking at data on the cavity voltage, cavity gradient, dark current, and radiation.

A simple wet chemical synthesis and characterization of hydroxyapatite nanorods

International Nuclear Information System (INIS)

Liu Yingkai; Hou Dedong; Wang Guanghou

2004-01-01

Calcium hydroxyapatite (Ca 5 (PO 4 ) 3 (OH):HAP) nanorods have been synthesized successfully via wet chemical technique at low temperature in the presence of suitable surfactant. The as-made nanorods have a diameter of 50-80 nm and a length of 0.5-1.2 μm. The microstructures and composition are characterized via X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier transform infrared spectrometer (FT-IR). The formation mechanism of HAP nanorod is discussed in detail. It has been found that nanorods are pure, there is no HAP carbonated HAP. The growth mechanism of HAP nanorods could be explained by a soft template

Characterization of the Environmentally Induced Chemical Transformations of Uranium Tetrafluoride

Energy Technology Data Exchange (ETDEWEB)

Wellons, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2017-09-29

A key challenge with nuclear safeguards environmental sampling is identification of the materials post release due to subsequent chemical reactions with ambient water and oxygen. Uranium Tetrafluoride (UF4) is of interest as an intermediate in both the upstream and downstream portions of uranium feedstock and metal production processes used in nuclear fuel production; however minimal published research exists relating to UF4 hydrolysis. FY16 efforts were dedicated to in-situ Raman spectroscopy and X-ray diffraction characterization of UF4 during exposure to various relative humidity conditions. This effort mapped several hydrolysis reaction pathways and identified both intermediate, and terminal progeny species.

Synthesis and characterization of cadmium hydroxide nano-nest by chemical route

International Nuclear Information System (INIS)

Salunkhe, R.R.; Patil, U.M.; Gujar, T.P.; Lokhande, C.D.

2009-01-01

A facile chemical route based on room temperature chemical bath deposition (CBD) was developed to deposit the Cd(OH) 2 nano-nest. The growth mechanism follows two-stage crystallization with initial growth of nucleation centers, followed by subsequent anisotropic growth. The nano-nest morphological evolution of Cd(OH) 2 on different substrates has been carried out. These films have been characterized by the techniques; such as X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), optical absorption, contact angle measurement and thermoelectric power (TEP) measurements. The X-ray diffraction study revealed that the as deposited film consists of cadmium hydroxide (Cd(OH) 2 ) phase. The nano-nest consisted of wires with nearly uniform in dimensions, with diameter around 30 nm and length of few microns. As-deposited Cd(OH) 2 film used in this study showed water contact angle of 66 o . The optical bandgap was found to be 3.2 eV, with n-type electrical conductivity as confirmed from thermo-emf measurements.

Characterization and evaluation of graphene oxide scaffold for periodontal wound healing of class II furcation defects in dog.

Science.gov (United States)

Kawamoto, Kohei; Miyaji, Hirofumi; Nishida, Erika; Miyata, Saori; Kato, Akihito; Tateyama, Akito; Furihata, Tomokazu; Shitomi, Kanako; Iwanaga, Toshihiko; Sugaya, Tsutomu

2018-01-01

The 3-dimensional scaffold plays a key role in volume and quality of repair tissue in periodontal tissue engineering therapy. We fabricated a novel 3D collagen scaffold containing carbon-based 2-dimensional layered material, named graphene oxide (GO). The aim of this study was to characterize and assess GO scaffold for periodontal tissue healing of class II furcation defects in dog. GO scaffolds were prepared by coating the surface of a 3D collagen sponge scaffold with GO dispersion. Scaffolds were characterized using cytotoxicity and tissue reactivity tests. In addition, GO scaffold was implanted into dog class II furcation defects and periodontal healing was investigated at 4 weeks postsurgery. GO scaffold exhibited low cytotoxicity and enhanced cellular ingrowth behavior and rat bone forming ability. In addition, GO scaffold stimulated healing of dog class II furcation defects. Periodontal attachment formation, including alveolar bone, periodontal ligament-like tissue, and cementum-like tissue, was significantly increased by GO scaffold implantation, compared with untreated scaffold. The results suggest that GO scaffold is biocompatible and possesses excellent bone and periodontal tissue formation ability. Therefore, GO scaffold would be beneficial for periodontal tissue engineering therapy.

Synthesis and characterization of a new complex binuclear of binuclear of Pd(II) containing the antibiotic oxy tetracycline

International Nuclear Information System (INIS)

Guerra, Wendell; Fontes, Ana Paula Soares; Pereira-Maia, Elene Cristina

2010-01-01

This article reports the synthesis and characterization of a new binuclear complex of palladium (II) containing the antibiotic oxytetracycline. The complex was characterized by the usual techniques of analysis. With respect to sites of coordination, the IR spectral data suggests the involvement the oxygen of the amide group and the oxygen of the neighbor hydroxyl group at ring A and to the carbonyl oxygen at C11 and the hydroxyl group at C12. (author)

Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

Science.gov (United States)

Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

2016-09-01

The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure. Copyright © 2016. Published by Elsevier Ltd.

Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts.

Science.gov (United States)

Camilloni, Carlo; Robustelli, Paul; De Simone, Alfonso; Cavalli, Andrea; Vendruscolo, Michele

2012-03-07

Following the recognition that NMR chemical shifts can be used for protein structure determination, rapid advances have recently been made in methods for extending this strategy for proteins and protein complexes of increasing size and complexity. A remaining major challenge is to develop approaches to exploit the information contained in the chemical shifts about conformational fluctuations in native states of proteins. In this work we show that it is possible to determine an ensemble of conformations representing the free energy surface of RNase A using chemical shifts as replica-averaged restraints in molecular dynamics simulations. Analysis of this surface indicates that chemical shifts can be used to characterize the conformational equilibrium between the two major substates of this protein. © 2012 American Chemical Society

Tank waste source term inventory validation. Volume II. Letter report

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-04-01

This document comprises Volume II of the Letter Report entitled Tank Waste Source Term Inventory Validation. This volume contains Appendix C, Radionuclide Tables, and Appendix D, Chemical Analyte Tables. The sample data for selection of 11 radionuclides and 24 chemical analytes were extracted from six separate sample data sets, were arranged in a tabular format and were plotted on scatter plots for all of the 149 single-shell tanks, the 24 double-shell tanks and the four aging waste tanks. The solid and liquid sample data was placed in separate tables and plots. The sample data and plots were compiled from the following data sets: characterization raw sample data, recent core samples, D. Braun data base, Wastren (Van Vleet) data base, TRAC and HTCE inventories.

Tank waste source term inventory validation. Volume II. Letter report

International Nuclear Information System (INIS)

1995-04-01

This document comprises Volume II of the Letter Report entitled Tank Waste Source Term Inventory Validation. This volume contains Appendix C, Radionuclide Tables, and Appendix D, Chemical Analyte Tables. The sample data for selection of 11 radionuclides and 24 chemical analytes were extracted from six separate sample data sets, were arranged in a tabular format and were plotted on scatter plots for all of the 149 single-shell tanks, the 24 double-shell tanks and the four aging waste tanks. The solid and liquid sample data was placed in separate tables and plots. The sample data and plots were compiled from the following data sets: characterization raw sample data, recent core samples, D. Braun data base, Wastren (Van Vleet) data base, TRAC and HTCE inventories

Direct observation of the influence of cardiolipin and antibiotics on lipid II binding to MurJ

Science.gov (United States)

Bolla, Jani Reddy; Sauer, Joshua B.; Wu, Di; Mehmood, Shahid; Allison, Timothy M.; Robinson, Carol V.

2018-03-01

Translocation of lipid II across the cytoplasmic membrane is essential in peptidoglycan biogenesis. Although most steps are understood, identifying the lipid II flippase has yielded conflicting results, and the lipid II binding properties of two candidate flippases—MurJ and FtsW—remain largely unknown. Here we apply native mass spectrometry to both proteins and characterize lipid II binding. We observed lower levels of lipid II binding to FtsW compared to MurJ, consistent with MurJ having a higher affinity. Site-directed mutagenesis of MurJ suggests that mutations at A29 and D269 attenuate lipid II binding to MurJ, whereas chemical modification of A29 eliminates binding. The antibiotic ramoplanin dissociates lipid II from MurJ, whereas vancomycin binds to form a stable complex with MurJ:lipid II. Furthermore, we reveal cardiolipins associate with MurJ but not FtsW, and exogenous cardiolipins reduce lipid II binding to MurJ. These observations provide insights into determinants of lipid II binding to MurJ and suggest roles for endogenous lipids in regulating substrate binding.

Chemical vapour deposition growth and Raman characterization of graphene layers and carbon nanotubes

Science.gov (United States)

Lai, Y.-C.; Rafailov, P. M.; Vlaikova, E.; Marinova, V.; Lin, S. H.; Yu, P.; Yu, S.-C.; Chi, G. C.; Dimitrov, D.; Sveshtarov, P.; Mehandjiev, V.; Gospodinov, M. M.

2016-02-01

Single-layer graphene films were grown by chemical vapour deposition (CVD) on Cu foil. The CVD process was complemented by plasma enhancement to grow also vertically aligned multiwalled carbon nanotubes using Ni nanoparticles as catalyst. The obtained samples were characterized by Raman spectroscopy analysis. Nature of defects in the samples and optimal growth conditions leading to achieve high quality of graphene and carbon nanotubes are discussed.

Synthesis, spectroscopic characterization and antimicrobial activity evaluation of new tridentate Schiff bases and their Co(II complexes

Directory of Open Access Journals (Sweden)

Ganesh More

2017-12-01

Full Text Available A series of Schiff base tridentate ligands and their respective Co(II complexes have been synthesized and characterized by elemental analysis, magnetic susceptibility, IR, NMR and UV–Visible spectra, thermal studies. The IR spectral data suggested that all the ligands acted as monobasic tridentate towards central Co(II ion with an ONO donor atoms sequentially. Analytical data and magnetic susceptibility revealed 1:2 metal to ligand stoichiometry and octahedral geometry for all Co(II complexes. All the prepared compounds were also screened for antimicrobial activity against 5 ESBL (Extended Spectrum β-lactamase and 5 MBL (Metallo β-lactamase producing uropathogens and for antitubercular activity against Mycobacterium tuberculosis (H37Rv strain. Keywords: Schiff base, Antitubercular, Antimicrobial, ESBL, MBL, Metal complex, o-hydroxyl aldehyde, Aminothiophene

Characterization samples of Tigris river water treated with nano colloidal silver (physically, chemically, microbiologically)

International Nuclear Information System (INIS)

Dumboos, H. I.; Beden, S. J.; Zouari, K.; Chkir, N.; Ahmed, H. A.

2012-12-01

Many researches of using nano silver in purification of drinking water from bacteria and its effect on stan dared properties as drinking water were established. Two stages accomplished in these projects. First stage include preparation of colloidal silver with characterization process and prepare water samples through sedimentation, filtration process, PH and turbidity measure then treated with colloidal silver in volume ratio (0.1-Λ) ml/100ml. The second stage represent select the better results from stage one and take samples to determine the standard characterization values with chemical, physical and microbiological taste. Results will be compared with Iraq standard certification. (Author)

Structural characterization and antioxidant properties of Cu(II) and Ni(II) complexes derived from dicyandiamide

Science.gov (United States)

Kertmen, Seda Nur; Gonul, Ilyas; Kose, Muhammet

2018-01-01

New Cu(II) and Ni(II) complexes derived from dicyandiamide were synthesized and characterised by spectroscopic and analytical methods. Molecular structures of the complexes were determined by single crystal X-ray diffraction studies. In the complexes, the Cu(II) or Ni(II) ions are four-coordinate with a slight distorted square planar geometry. The ligands (L-nPen and L-iPen) derived from dicyandiamide formed via nucleophilic addition of alcohol solvent molecule in the presence Cu(II) or Ni(II) ions. Complexes were stabilised by intricate array of hydrogen bonding interactions. Antioxidant activity of the complexes was evaluated by DPPH radical scavenging and CUPRAC methods. The complexes exhibit antioxidant activity, however, their activities were much lower than standard antioxidants (Vitamin C and trolox).

Adsorption and thermodynamic studies of Cu(II) and Zn(II) on organofunctionalized-kaolinite

International Nuclear Information System (INIS)

Guerra, Denis Lima; Airoldi, Claudio; Sousa, Kaline S. de

2008-01-01

Kaolinite-bearing clay samples from Perus, Sao Paulo state, Brazil, were used for chemical modification process with dimethyl sulfoxide and organofunctionalized with the silyating agent (RO) 3 Si(CH 2 ) 3 NH(CH 2 ) 2 NH 2 in the present study. The resulting material and natural kaolinite were subjected adsorpion process with Cu(II) and Zn(II) from aqueous solution at pH 6.0 and controlated temperature of 298 K. The Langmuir adsorption isotherm model has been applied to fit the experimental data. The results showed that the chemical modification process increases the basal spacing of the natural kaolinite from 0.711 to 0.955 nm. The energetic effects caused by Cu(II) and Zn(II) interactions were determined through calorimetric titration at the solid-liquid interface and gave a net thermal effect that enabled the calculation of the exothermic values and the equilibrium constant

Synthesis and characterization of sulfur-functionalized silica nanocapsules as mercury adsorbents

Science.gov (United States)

Palaniappan, Thenappan; Saman, Norasikin; Mat, Hanapi; Johari, Khairiraihanna

2017-12-01

Sulfur functionalized silica nanocapsules (S-SiNC) was successfully synthesized and characterized as a potential adsorbent for industrial applications. The synthesis of S-SiNC was carried out using the mircoemulsion templating method using cetyltrimethylammonium bromide (CTAB) as cationic surfactant, toluene as co-solvent, ammonia solution as catalyst, and tetraethylorthosilicate (TEOS) as the silica base. The S-SiNC adsorbent was characterized using Transmission Electron Microscope, Fourier Transformed Infra Red spectroscopy and nitrogen adsorption/desorption analysis. The physical and chemical properties of the SiNC changed as a result of the functionalization, hence affecting the extent of Hg(II) adsorption. The S-SiNCs were also tested in mercury ion [Hg(II)] adsorption via batch adsorption process with variation in initial Hg (II) concentration. It was found that there is a significant improvement in Hg(II) adsorption performance after being functionalized with elemental sulfur. The highest Hg(II) adsorption capacity was obtained for S-SiNC (107.875 mg/g), which significantly outperformed the blank SiNC. The experimental data obtained was found to be fitting well to the Langmuir isotherm model (R2= 0.979) compared to Freundlich isotherm model. Thus, the results demonstrated the potential application of sulfur functionalized silica nanocapsules as adsorbent in industrial applications.

Nickel(II) and palladium(II) triphenylphosphine complexes incorporating tridentate Schiff base ligands: Synthesis, characterization and biocidal activities

Science.gov (United States)

Shabbir, Muhammad; Akhter, Zareen; Ashraf, Ahmad Raza; Ismail, Hammad; Habib, Anum; Mirza, Bushra

2017-12-01

Nickel(II) and palladium(II) triphenylphosphine complexes incorporating tridentate Schiff bases have been prepared and characterized by elemental analysis as well as by spectroscopic techniques (FTIR & NMR). The synthesized compounds were assessed to check their potential biocidal activity by using different biological assays (brine shrimp cytotoxicity, antimicrobial, antioxidant, antitumor and drug-DNA interaction). Results of brine shrimp cytotoxicity assay showed that ligand molecules are more bioactive than metal complexes with LD50 as low as 12.4 μg/mL. The prominent antitumor activity was shown by nickel complexes while the palladium complexes exhibited moderate activity. The synthesized compounds have shown high propensity for DNA binding either through intercalation or groove binding which represents the mechanism of antitumor effect of these compounds. Additionally, ligand molecules and nickel metal complexes showed significant antioxidant activity with IC50 values as low as 3.1 μg/mL and 18.9 μg/mL respectively while palladium complexes exhibited moderate activity. Moreover, in antimicrobial assays H2L1, Ni(L1)PPh3 and H2L3 showed dual inhibition against bacterial and fungal strains while for the rest of the compounds varying degree of activity was recorded against different strains. Overall comparison of results suggests that the synthesized compounds can be promising candidate for drug formulation and development.

Cement for oil well developed from ordinary cement: characterization physical, chemical and mineralogical

International Nuclear Information System (INIS)

Oliveira, D.N.S.; Neves, G. de A.; Chaves, A.C.; Mendonca, A.M.G.D.; Lima, M.S. de; Bezerra, U.T.

2012-01-01

This work aims to characterize a new type of cement produced from the mixture of ordinary Portland cement, which can be used as an option in the cementing of oil wells. To enable this work we used the method of lineal programming for the new cement composition, then conducted tests to characterize through particle size analysis by laser diffraction, chemical analysis by EDX, TGA, X-ray diffraction, time grip, resistance to compression. The overall result showed that the new cement had made low-C3A, takes more time to the CPP, thermal stability up to 500 ° C, the kinetics of hydration and low levels of major components consistent with the specifications of ABNT. (author)

Chemical characterization of atmospheric particles

International Nuclear Information System (INIS)

Adams, F.

2002-01-01

In the characterisation of complex environmental materials such as atmospheric particulate matter, analytical specificity is required to account for the many dimensions of information present in the sample. These dimensions include size, morphology, elemental composition, inorganic and organic chemical speciation, all to be performed on either single particles or on the population (or bulk sample) basis. Various techniques were developed for such measurements, including a number of bulk analysis procedures, methodologies for microscopical analysis of individual particles, and a variety of procedures for organic/inorganic chemical speciation. (author)

Characterization of radioactive orphan sources by gamma spectrometry

International Nuclear Information System (INIS)

Cruz W, H.

2013-01-01

The sealed radioactive sources are widely applicable in industry. They must have a permanent control and must be registered with the Technical Office of the National Authority (OTAN). However, at times it has identified the presence of abandoned sealed sources unknown to the owner. These sources are called 'orphan sources'. Of course these sources represent a high potential risk because accidents can trigger dire consequences depending on your activity and chemical form in which it presents the radioisotope. This paper describes the process and the actions taken to characterize two orphan radioactive sources from the smelter a Aceros Arequipa. For characterization we used a gamma spectrometry system using a detector NaI(Tl) 3″ x 3″ with a multichannel analyzer Nucleus PCA-II. The radioisotope identified was cesium - 137 ( 137 Cs) in both cases. Fortunately, the sources maintained their integrity would otherwise have generated significant pollution considering the chemical form of the radioisotope and easy dispersion. (author)

Nanostructured PLD-grown gadolinia doped ceria: Chemical and structural characterization by transmission electron microscopy techniques

DEFF Research Database (Denmark)

Rodrigo, Katarzyna Agnieszka; Wang, Hsiang-Jen; Heiroth, Sebastian

2011-01-01

The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss spec......, indicate apparent variation of the ceria valence state across and along the film. No element segregation to the grain boundaries is detected. These results are discussed in the context of solid oxide fuel cell applications.......The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss...... spectroscopy and energy dispersive X-ray spectroscopy. A dense, columnar and structurally inhomogeneous CGO10 film, i.e. exhibiting grain size refinement across the film thickness, is obtained in the deposition process. The cerium M4,5 edges, used to monitor the local electronic structure of the grains...

New fluorescent azo-Schiff base Cu(II) and Zn(II) metal chelates; spectral, structural, electrochemical, photoluminescence and computational studies

Science.gov (United States)

Purtas, Fatih; Sayin, Koray; Ceyhan, Gokhan; Kose, Muhammet; Kurtoglu, Mukerrem

2017-06-01

A new Schiff base containing azo chromophore group obtained by condensation of 2-hydroxy-4-[(E)-phenyldiazenyl]benzaldehyde with 3,4-dimethylaniline (HL) are used for the syntheses of new copper(II) and zinc(II) chelates, [Cu(L)2], and [Zn(L)2], and characterized by physico-chemical and spectroscopic methods such as 1H and 13C NMR, IR, UV.-Vis. and elemental analyses. The solid state structure of the ligand was characterized by single crystal X-ray diffraction study. X-ray diffraction data was then used to calculate the harmonic oscillator model of aromaticity (HOMA) indexes for the rings so as to investigate of enol-imine and keto-amine tautomeric forms in the solid state. The phenol ring C10-C15 shows a considerable deviation from the aromaticity with HOMA value of 0.837 suggesting the shift towards the keto-amine tautomeric form in the solid state. The analytical data show that the metal to ligand ratio in the chelates was found to be 1:2. Theoretical calculations of the possible isomers of the ligand and two metal complexes are performed by using B3LYP method. Electrochemical and photoluminescence properties of the synthesized azo-Schiff bases were also investigated.

Takifugu rubripes cation independent mannose 6-phosphate receptor: Cloning, expression and functional characterization of the IGF-II binding domain.

Science.gov (United States)

A, Ajith Kumar; Nadimpalli, Siva Kumar

2018-07-01

Mannose 6-phosphate/IGF-II receptor mediated lysosomal clearance of insulin-like growth factor-II is significantly associated with the evolution of placental mammals. The protein is also referred to as the IGF-II receptor. Earlier studies suggested relatively low binding affinity between the receptor and ligand in prototherian and metatherian mammals. In the present study, we cloned the IGF-II binding domain of the early vertebrate fugu fish and expressed it in bacteria. A 72000Da truncated receptor containing the IGF-II binding domain was obtained. Analysis of this protein (covering domains 11-13 of the CIMPR) for its affinity to fish and human IGF-II by ligand blot assays and ELISA showed that the expressed receptor can specifically bind to both fish and human IGF-II. Additionally, a peptide-specific antibody raised against the region of the IGF-II binding domain also was able to recognize the IGF-II binding regions of mammalian and non-mammalian cation independent MPR protein. These interactions were further characterized by Surface Plasma resonance support that the receptor binds to fish IGF-II, with a dissociation constant of 548nM. Preliminary analysis suggests that the binding mechanism as well as the affinity of the fish and human receptor for IGF-II may have varied according to different evolutionary pressures. Copyright © 2018. Published by Elsevier B.V.

Structural information on the coordination compounds formed by manganese(II), cobalt(II), nickel(II), zinc(II), cadmium(II) and mercury(II) thiocyanates with 4-cyanopyridine N-oxide from their magnetic moments, electronic and infrared spectra

Science.gov (United States)

Ahuja, I. S.; Yadava, C. L.; Singh, Raghuvir

1982-05-01

Coordination compounds formed by the interaction of 4-cyanopyridine. N-oxide (4-CPO), a potentially bidentate ligand, with manganese(II), cobalt(II), nickel(II), zinc(II), cadmium(II) and rnercury(II) thiocyanates have been prepared and characterized from their elemental analyses, magnetic susceptibilities, electronic and infrared spectral studies down to 200 cm -1 in the solid state. The compounds isolated are: Mn(4-CPO) 2(NCS) 2, Co(4-CPO) 2(NCS) 2,Ni(4-CPO) 2(NCS) 2,Zn(4-CPO) 2(NCS) 2, Cd(4-CPO)(NCS) 2 and Hg(4-CPO) 2(SCN) 2. It is shown that 4-CPO acts as a terminal N-oxide oxygen bonded monodentate ligand in all the metal(II) thiocyanate complexes studied. Tentative stereochemistries of the complexes in the solid state are discussed. The ligand field parameters 10 Dq, B, β and λ calculated for the manganese(II), cobalt(II) and nickel(II) complexes are consistent with their proposed stereochemistries.

Mineralogical and physico-chemical characterization of Mbodiene palygorskite for pharmaceutical applications

Science.gov (United States)

Sylla Gueye, Rokhaya; Davy, Catherine A.; Cazaux, Frédéric; Ndiaye, Augustin; Diop, Mouhamadou Bassir; Skoczylas, Frédéric; Wele, Alassane

2017-11-01

This contribution provides a wide morphological, mineralogical, chemical and physical characterization of Mbodiene palygorskite (Senegal), to serve as a basis for the formulation of antidiarrheal and cosmetic products. Data are compared with other palygorskite deposits, either in Senegal or on other continents. Qualitative total rock XRD, semi-quantitative XRD of the clay fraction and quantitative X-Ray fluorescence (XRF) show the presence of 72%wt palygorskite (±2%wt), 13%wt montmorillonite (±2%wt), 8%wt dolomite (±2%wt), 5%wt quartz SiO2 (±2%wt) and 2%wt inter-stratified illite/smectite (±2%wt). Coupled SEM + EDX and TEM + EDX confirm the presence of fibrous palygorskite, with greater amounts of Mg than Al, and Fe substitution to Mg and Al, interspersed with dolomite cubes CaMg(CO3)2. The presence of carbonates in Mbodiene palygorskite may limit its use in the Pharmacopoeia, and make its purification necessary. A specific signature of Mbodiene palygorskite, relevant to the palygorskite family, is deduced from both FTIR and TGA analysis. In terms of physico-chemical characterization, Mbodiene palygorskite has usual values when compared to the literature (for its specific surface area, specific gravity, compressibility and Haussner indexes, CEC, loss on ignition, etc.). After grinding (down to a peak grain size of 500 nm), Mbodiene palygorskite is considered a normal clay, extremely highly plastic, with hard consistency owing to the values of its Atterberg plasticity and liquidity limits, with good flowability owing to its compressibility and Haussner indexes. Its physical characteristics are suitable for manufacturing pastes and colloidal suspensions.

SPECIATION OF BINARY COMPLEXES OF Pb(II) AND Cd(II) WITH ...

African Journals Online (AJOL)

ABSTRACT. Chemical speciation of L-Asparagine complexes of Pb(II) and Cd(II) in presence of (0-50% v/v) dimethyl sulfoxide(DMSO)-water mixtures has been studied potentiometrically at 303.0 K and at an ionic strength of 0.16 mol L-1. The models containing different number of species were refined by using the ...

Physical and chemical characterization of the (Th, U)O2 mixed oxide fuel

International Nuclear Information System (INIS)

Santos, A.M.M. dos; Avelar, M.M.; Palmieri, H.E.L.; Lameiras, F.S.; Ferreira, R.A.N.

1986-01-01

The NUCLEBRAS R and D Center (Centro de Desenvolvimento da Tecnologia Nuclear - CDTN) has been performing, together with german institutions (Kernforschungsanlage Julich GmbH - KFA, Krafwerk Union A.G. - KWU and NUKEM GmbH), a program for utilization of thorium in pressurized water reactors. In this paper are presented the physical and chemical characterizations necessary to quality the (Th, U)O 2 fuel and the respective methods. (Author) [pt

Characterization of sophorolipid biosurfactant produced by Cryptococcus sp. VITGBN2 and its application on Zn(II) removal from electroplating wastewater.

Science.gov (United States)

Basak, Geetanjali; Das, Nilanjana

2014-11-01

The present study aimed at elucidating the role of biosurfactant produced by yeast for the removal of Zn(II) ions from electroplating wastewater. The yeast species isolated from CETP, Vellore, Tamilnadu was identified as Cryptococcus sp.VITGBN2, based on molecular techniques, and was found to be potent producer of biosurfactant in mineral salt media containing vegetable oil as additional carbon source. Chemical structure of the purified biosurfactant was identified as acidic diacetate sophorolipid through GC-MS analysis. Interaction of Zn(II) ions with biosurfactant was monitored using FT-IR, SEM and EDS analysis. Zn (II) removal at 100 mg l(-1) concentration was 84.8% compared were other synthetic surfactants (Tween 80 and sodium dodecyl sulphate), yeast mediated biosurfactant showed enhanced Zn (II) removal in batch mode. The role of biosurfactant on Zn(II) removal was evaluated in column mode packed with biosurfactant entrapped in sodium alginate beads. At a flow rate of 1 ml min(-1) and bed height of 12 cm, immobilized biosurfactant showed 94.34% Zn(II) removal from electroplating wastewater. The present study confirmed that Zn(II) removal was biosurfactant mediated. This is the first report establishing the involvement of yeast mediated biosurfactant in Zn(II) removal from wastewater.

Comparative studies on P-vanillin and O-vanillin of 2-hydrazinyl-2-oxo-N-phenylacetamide and their Mn(II) and Co(II) complexes

Science.gov (United States)

Yousef, T. A.; El-Reash, G. M. Abu; El-Tabai, M. N.

2018-05-01

Synthesis of complexes derived from hydrazones derived from both P-vanillin (H2L1) and its isomer O-vanillin (H2L2) of 2-hydrazinyl-2-oxo-N-phenylacetamide that coordinated with high magnetic metal ions of both Mn(II) and Co(II) were performed and characterized by different physicochemical methods, elemental analysis, (1H NMR, IR, and UV-visible spectra), also thermal analysis (TG and DTG) techniques and magnetic measurements. The molecular structures of the ligands and their Mn(II) and Co(II) complexes were optimized theoretically and the quantum chemical parameters were calculated. IR spectra suggest that the H2L1 behaved in a mononegative bidentate manner with both but H2L2 coordinated as mononegative tridentate with both Mn(II) and Co(II). The electronic spectra of the complexes as well as their magnetic moments suggested octahedral geometries for all the isolated complexes. The calculated values of binding energies indicated the stability of complexes is higher than that of ligand. The kinetic and thermodynamic parameters for the different decomposition steps in complexes were calculated using Coats-Redfern and Horowitz-Metzger equations. Moreover, the prepared ligands and their Mn(II) and Co(II) complexes were individually tested against a panel of gram positive Bacillus Subtilis and negative Escherichia coli microscopic organisms. Additionally cytotoxicity assay of two human tumor cell lines namely; hepatocellular carcinoma (liver) HePG-2, and mammary gland (breast) MCF-7 were tested.

SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF A Zn(II COORDINATION POLYMER BASED ON 4,4’-BIPYRIDINE AND ACETATO

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LI-HUA WANG

2015-05-01

Full Text Available A novel Zn(II coordination polymer, [Zn(bpy(acetato2]n (bpy = 4,4’-bipyridine, has been synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn(II coordination polymer is triclinic, space group P-1 with a = 8.046(3 Å, b = 9.161(3 Å, c = 10.663(3 Å, α = 109.769(4º, β = 99.966(5º, γ = 101.666(5º, V= 699.1(4 Å3, Z = 2, Dc = 1.614 mg·m-3, μ = 1.774 mm-1, F(000 = 348, and final R1 = 0.0541, ωR2 = 0.1605. X-ray diffraction analysis reveals that the Zn(II center is six-coordination with a N2O4 distorted octahedral coordination environment. The Zn(II complex forms 1D chain structure by the bridge of 4,4’-bipyridine and acetato.

Heteroleptic Palladium(II) dithiocarbamates: Synthesis, characterization and in vitro biological screening

Science.gov (United States)

Khan, Shahan Zeb; Zia-ur-Rehman; Amir, Muhammad Kashif; Ullah, Imdad; Akhter, M. S.; Bélanger-Gariepy, Francine

2018-03-01

Two new heteroleptic Pd(II) complexes of sodium 4-(2-pyrimidyl)piperazine-1-carbodithioate with tris-p-flourophenylphosphine (1) and tris-p-chlorophenylphosphine (2) were prepared and characterized by elemental analysis, FT-IR, multinuclear NMR {1H, 13C and 31P} and single-crystal X-ray diffraction measurement. In both complexes, Pd exhibit pseudo square planner geometry mediated by SS chelate, P and Cl. In vitro cytotoxicity against five different cancer cell lines using staurosporine as a standard revealed 1 to be more cytotoxic than 2, though both complexes are more active than cisplatin. Subsequent DNA binding studies revealed that non-covalent complex-DNA interaction may be the reason for arresting cancer cell growth. Furthermore, 1 and 2 are potent antioxidant agents.

Synthesis and characterization of a layered double hydroxide containing an intercalated nickel(II) citrate complex

International Nuclear Information System (INIS)

Wang Lianying; Wu Guoqing; Evans, David G.

2007-01-01

The nickel(II) citrate complex anion ([Ni(C 6 H 4 O 7 )] 2- ) may be intercalated into the interlayer galleries of a layered double hydroxide (LDH) host by a process involving ion-exchange with an Mg 2 Al-NO 3 LDH precursor. The powder X-ray diffraction (XRD) pattern confirms that the layered structure is maintained. The thermal decomposition process of the complex anion-intercalated material has been characterized by in situ high temperature powder XRD, thermogravimetry-differential thermal analysis (TG-DTA) and coupled with mass spectrometry (MS). The thermal stability of the nickel(II) citrate complex anion intercalated in LDHs in air is lower than that in the sodium salt. Calcination generates a high degree of nickel(II) oxide dispersion in a matrix of magnesium and aluminium oxide phases which should be an advantage if the materials are used as catalyst precursors. Based on the observed data, a structural model for the [Ni(C 6 H 4 O 7 )] 2- anion intercalated in the galleries of the LDH is proposed

Aroma profile of malbec red wines from La Mancha region: Chemical and sensory characterization.

Science.gov (United States)

Sánchez-Palomo, E; Trujillo, M; García Ruiz, A; González Viñas, M A

2017-10-01

The aroma of La Mancha Malbec red wines over four consecutive vintages was characterized by chemical and sensory analysis. Solid phase extraction (SPE) and gas chromatography-mass spectrometry (GC-MS) were used to isolate and analyze free volatile compounds. Quantitative Descriptive Sensory Analysis (QDA) was carried out to characterize the sensory aroma profile. A total of 79 free volatile compounds were identified and quantified in the wines over these four vintages. Volatile aroma compounds were classified into seven aromatic series and their odour activity values were calculated in order to determine the aroma impact compounds in these wines. The aroma sensory profile of these wines was characterized by red fruit, fresh, prune, liquorice, clove, caramel, leather, tobacco and coffee aromas. This study provides a complete aroma characterization of La Mancha Malbec red wines and it is proposed that these wines can be considered as an alternative to wines from traditional grape varieties of this region. Copyright © 2017 Elsevier Ltd. All rights reserved.

Structural and Chemical Characterization of Silica Spheres before and after Modification by Silanization for Trypsin Immobilization

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Eduardo F. Barbosa

2017-01-01

Full Text Available In the last decades, silica particles of a variety of sizes and shapes have been characterized and chemically modified for several applications, from chromatographic separation to dental supplies. The present study proposes the use of aminopropyl triethoxysilane (APTS silanized silica particles to immobilize the proteolytic enzyme trypsin for the development of a bioreactor. The major advantage of the process is that it enables the polypeptides hydrolysis interruption simply by removing the silica particles from the reaction bottle. Silanized silica surfaces showed significant morphological changes at micro- and nanoscale level. Chemical characterization showed changes in elemental composition, chemical environment, and thermal degradation. Their application as supports for trypsin immobilization showed high immobilization efficiency at reduced immobilization times, combined with more acidic conditions. Indirect immobilization quantification by reversed-phase ultrafast high performance liquid chromatography proved to be a suitable approach due to its high linearity and sensitivity. Immobilized trypsin activities on nonmodified and silanized silica showed promising features (e.g., selective hydrolysis for applications in proteins/peptides primary structure elucidation for proteomics. Silanized silica system produced some preferential targeting peptides, probably due to the hydrophobicity of the nanoenvironment conditioned by silanization.

Elaboration of a Highly Porous RuII,II Analogue of HKUST-1.

Science.gov (United States)

Zhang, Wenhua; Freitag, Kerstin; Wannapaiboon, Suttipong; Schneider, Christian; Epp, Konstantin; Kieslich, Gregor; Fischer, Roland A

2016-12-19

When the dinuclear Ru II,II precursor [Ru 2 (OOCCH 3 ) 4 ] is employed under redox-inert conditions, a Ru II,II analogue of HKUST-1 was successfully prepared and characterized as a phase-pure microcrystalline powder. X-ray absorption near-edge spectroscopy confirms the oxidation state of the Ru centers of the paddle-wheel nodes in the framework. The porosity of 1371 m 2 /mmol of Ru II,II -HKUST-1 exceeds that of the parent compound HKUST1 (1049 m 2 / mmol).

Synthesis and characterization of polychelates of Cu(II), Ni(II), Co(II), Mn(II), Zn(II), oxovanadium(IV) and dioxouranium(VI) with 2,4-dihydroxybenzaldehyde-urea-formaldehyde polymer

International Nuclear Information System (INIS)

Patel, G.C.; Pancholi, H.B.; Patel, M.M.

1991-01-01

Polychelates of Cu(II), Ni(II), Co(II), Mn(II), Zn(II), oxovandium(IV) and dioxouranium(VI) with 2,4-dihydroxybenzaldehyde (2,4-DB)-urea(U)-formaldehyde(F) polymer (2,4-DBUF) have been prepared. Elemental analyses of the polychelates indicate a metal:ligand ratio of 1:2. The structures of the polychelates have been assigned on the basis of their elemental analyses, IR, reflectance spectra, magnetic moment, thermal data and their electrical conductivity behaviour. (author). 1 tab., 18 refs

Characterization and application of expanded graphite modified with phosphoric acid and glucose for the removal of Ni(II) from aqueous solution

Science.gov (United States)

Jiang, Li; Zhang, Jian; Xu, Xiaoli; Zhang, Jie; Liu, Hai; Guo, Zizhang; Kang, Yan; Li, Yiran; Xu, Jingtao

2015-12-01

Three kinds of modified expanded graphite (EG), impregnated with phosphoric acid (H3PO4) (P-EG), impregnated with glucose (G-EG), and impregnated with H3PO4 and glucose (G-P-EG), were prepared under a low temperature (150 °C). The adsorption capacity of G-P-EG (Qm = 7.016 mg/g) is much higher than original expanded graphite (EG Qm = 0.423 mg/g) and other two kinds of modified expanded graphite (P-EG Qm = 0.770 mg/g; G-EG Qm = 0.507 mg/g). The physicochemical properties of EG and G-P-EG were characterized by N2 adsorption/desorption, Boehm's titration and X-ray photoelectron spectroscopy (XPS). EG exhibited higher values of BET surface area (11.357 m2/g) and total pore volume (0.0303 cm3/g) than that of G-P-EG (4.808 m3/g and 0.0109 cm3/g). However, the results of Bohm's titration and XPS showed that G-P-EG contained more surface oxygen-containing functional groups. The Ni(II) adsorption equilibrium data agreed well with the Langmuir model. And the experimental data of EG and G-P-EG fitted better by pseudo-second order model. Based on the results of batch adsorption experiments and XPS analysis, there were several possible mechanisms for Ni(II) adsorption on the G-P-EG, including chemical adsorption, cation exchange, electrostatic attraction and surface complication.

Adsorption of NI (II on activated Carbon of Coconut shell Chemicaly Modifieded with Acid Nitric Solutions

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Mónica Hernández-Rodríguez

2017-01-01

Full Text Available In the research the effect of modification of coconut shell activated carbon with diluted solutions of nitric acid, in its chemical characteristics and removal capacity of the nickel (II ions present in modeling solutions of sulfates with similar characteristics to the acid liquor waste of the nickel industry, was studied. The characterization of the adsorbent material evidenced that the modification process increases the superficial acids groups according with the increase of acid nitric concentration employee in the treatment. The adsorption equilibrium tests, carried out with metallic species solutions at concentrations between 0,5 and 3,5 g/L evidenced that the process is described by Freundlich model. The effect of chemical modification of the adsorbent material in adsorption capacity of nickel (II ions was evaluated using a traditional experimental design at pH of 1,2 and 6,9 units, obtaining that the increase of acid groups in the carbon surface causes an increase of adsorption capacity and removal percentages of nickel (II, due to specific interactions of these groups with the metal cations.

Characterization of insulin-like-growth factor II (IGF II mRNA positive hepatic altered foci and IGF II expression in hepatocellular carcinoma during diethylnitrosamine-induced hepatocarcinogenesis in rats

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Mukherjee Biswajit

2005-08-01

Full Text Available Abstract Background Insulin-like-growth factor II (IGF II has been implicated in the pathogenesis of neoplasm of different tissues, including liver of rats and men. This growth factor is believed to exert its effect during cellular proliferation. During the process of development of hepatocellular carcinoma (HCC, different hepatic altered foci appear. They are believed to be the putative precursors of HCC in rats and in men. Thus, to study the role of the gene in a defined model of hepatocarcinogenesis was the target to elucidate its role in various cancer phenotypes during the entire development stage of cancer, right from earlier preneoplastic lesions to HCC Methods Antisense in situ hybridization technique was used here to characterize the type(s of foci in which IGF II mRNA had expressed during the development of hepatocarcinogenesis-induced by diethylnitrosamine and promoted by phenobarbital in rats. Various focal lesions have been categorized depending on the stages and sizes along with IGF II expression patterns in them. Immunohistochemical detection for proliferating cell nuclear antigen (PCNA was made to detect the role of the gene in preneoplastic and neoplastic cellular proliferation. Results IGF II expression was located in the glycogen-storage acidophilic cell foci maximally followed by mixed cell lesions and the least in basophilic lesions. The expression of IGF II was found to be predominant in the HCC. The expression of gene was also located at the peripheral cells of spongiosis hepatis which are believed to be the precursor of ito cell carcinoma. It was noted that there is a direct correlation between IGF II expression and Immunohistochemical detection for PCNA. Conclusion It may be concluded that IGF II gene expression plays an important role during the development of neoplasia and the gene expresses in the sequence of events leading from glycogen-rich-acidophilic lesions to glycogen poor basophilic lesions to HCC with an

Synthesis and characterization of poly-o-anisidine Sn(IV tungstate: A new and novel ‘organic–inorganic’ nano-composite material and its electro-analytical applications as Hg(II ion-selective membrane electrode

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Asif A. Khan

2012-07-01

Full Text Available An organic–inorganic nano-composite poly-o-anisidine Sn(IV tungstate was chemically synthesized by sol–gel mixing of the incorporation of organic polymer o-anisidine into the matrices of inorganic ppt of Sn(IV tungstate in different mixing volume ratios. This composite material has been characterized using various analytical techniques like XRD (X-ray diffraction, FTIR (Fourier transform infrared, SEM (Scanning electron microscopy, TEM (Transmission electron microscopy and simultaneous TGA (Thermogravimetric analysis studies. On the basis of distribution studies, the material was found to be highly selective for Hg(II. Using this nano-composite cation exchanger as electro-active material, a new heterogeneous precipitate based on ion-sensitive membrane electrode was developed for the determination of Hg(II ions in solutions. The membrane electrode was mechanically stable, with a quick response time, and can be operated within a wide pH range. The electrode was also found to be satisfactory in electrometric titrations.

Thiol-functionalized polysilsesquioxane as efficient adsorbent for adsorption of Hg(II) and Mn(II) from aqueous solution

International Nuclear Information System (INIS)

Niu, Yuzhong; Qu, Rongjun; Liu, Xiguang; Mu, Lei; Bu, Baihui; Sun, Yuting; Chen, Hou; Meng, Yangfeng; Meng, Lina; Cheng, Lin

2014-01-01

Highlights: • PMPSQ was promising adsorbent for the removal of Hg(II) and Mn(II). • The adsorption kinetics followed the pseudo-second-order model. • The adsorption isotherms can be described by the monolayer Langmuir model. • The adsorption was controlled by film diffusion and chemical ion-exchange mechanism. - Abstract: Thiol-functionalized polysilsesquioxane was synthesized and used for the adsorption of Hg(II) and Mn(II) from aqueous solution. Results showed that the optimal pH was about 6 and 5 for Hg(II) and Mn(II), respectively. Adsorption kinetics showed that the adsorption equilibriums were established within 100 min and followed pseudo-second-order model. Adsorption isotherms revealed that the adsorption capacities increased with the increasing of temperature. The adsorption was found to be well described by the monolayer Langmuir isotherm model and took place by chemical ion-exchange mechanism. The thermodynamic properties indicated the adsorption processes were spontaneous and endothermic nature. Selectively adsorption showed that PMPSQ can selectively adsorb Hg(II) from binary ion systems in the presence of the coexistent ions Mn(II), Cu(II), Pb(II), Co(II), and Ni(II). Based on the results, it is concluded that PMPSQ had comparable high adsorption efficiency and could be potentially used for the removal of Hg(II) and Mn(II) from aqueous solution

Characterization and nutrient release from silicate rocks and influence on chemical changes in soil

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Douglas Ramos Guelfi Silva

2012-06-01

Full Text Available The expansion of Brazilian agriculture has led to a heavy dependence on imported fertilizers to ensure the supply of the growing food demand. This fact has contributed to a growing interest in alternative nutrient sources, such as ground silicate rocks. It is necessary, however, to know the potential of nutrient release and changes these materials can cause in soils. The purpose of this study was to characterize six silicate rocks and evaluate their effects on the chemical properties of treated soil, assessed by chemical extractants after greenhouse incubation. The experimental design consisted of completely randomized plots, in a 3 x 6 factorial scheme, with four replications. The factors were potassium levels (0-control: without silicate rock application; 200; 400; 600 kg ha-1 of K2O, supplied as six silicate rock types (breccia, biotite schist, ultramafic rock, phlogopite schist and two types of mining waste. The chemical, physical and mineralogical properties of the alternative rock fertilizers were characterized. Treatments were applied to a dystrophic Red-Yellow Oxisol (Ferralsol, which was incubated for 100 days, at 70 % (w/w moisture in 3.7 kg/pots. The soil was evaluated for pH; calcium and magnesium were extracted with KCl 1 mol L-1; potassium, phosphorus and sodium by Mehlich 1; nickel, copper and zinc with DTPA; and the saturation of the cation exchange capacity was calculated for aluminum, calcium, magnesium, potassium, and sodium, and overall base saturation. The alternative fertilizers affected soil chemical properties. Ultramafic rock and Chapada mining byproduct (CMB were the silicate rocks that most influenced soil pH, while the mining byproduct (MB led to high K levels. Zinc availability was highest in the treatments with mining byproduct and Cu in soil fertilized with Chapada and mining byproduct.

Physico-Chemical and In-vitro Microbial Studies of Newly Synthesis Organometallic Complexes

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Isam Hussain Al-Karkhi

2014-05-01

Full Text Available Drugs normally synthesized to use as medication to treat diseases like cancer and microbial infections, these synthesized drugs were interested more than naturally-derived drugs which have been shows low activity or not as efficient against diseases. A new ligand 3-methylbenzyl (2Z-2-[1-(pyridin-4-ylethylidene]hydrazine carbodithioate (PE3MBC and its Cd(II, Cu(II, Co(II and Zn(II metal complexes. The new ligand and metal complexes were characterized via various physico-chemical and spectroscopic techniques. Cd(II complex show more activity against microbes and against cancer cell line MCF-7, while other complexes does not shows activity like cadmium complex, all the complexes does not shows any activity against MDAMB-231 cell line. The fatal of the cancer and the microbes cell was due to inhibition of DNA synthesis which was probably due to chelating with metals complexes, or could be referred to lipophilicity, presence of hydrophobic moiety in the complex molecule, also could be due to steric effects and electronic effects.

Chemical characterization of some soils from four counties that produce Flue-cured tobacco

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Marcela Rodríguez

2012-09-01

Full Text Available The municipalities or counties of Campoalegre and Garzón (State of Huila and Capitanejo and Enciso (State of Santander show different chemical soil characteristics when their origin is taken into account, based on their edaphogenetic environments. For the characterization of the soils from these counties, samples from 65 farms were arranged, based on the database of farmers associated with the Protabaco Company. With the soil samples taken, chemical and texture analyses were performed, codifying the results in order to analyze them, keeping in mind the ideal parameters for the tobacco crop. In the counties of Huila, the texture, pH and organic matter were found to have ideal levels, in contrast to the phosphorus, potassium, magnesium, sulfur and chloride levels which were unsuitable, but the calcium content showed levels between suitable and good. In Santander, the pH, organic matter, phosphorus, calcium, sulfur and chloride were at unsuitable levels, in contrast, the contrary occurred with the texture and potassium which were at normal levels. It is recommended, due to the difference among the chemical parameters, that a fertilization program be handled differently for the zones of Santander and Huila, bearing in mind that the chemical parameters were found to be more limited in Santander than in Huila

Effect of gamma radiation on resting B lymphocytes. II. Functional characterization of the antigen-presentation defect

International Nuclear Information System (INIS)

Ashwell, J.D.; Jenkins, M.K.; Schwartz, R.H.

1988-01-01

The effect of radiation on three discrete Ag-presentation functions in resting B cells was examined: 1) Ag uptake and processing, 2) expression of processed Ag in the context of functional class II molecules, and 3) provision of necessary co-stimulatory, or second, signals. Analysis of radiation's effect on B cell presentation of intact vs fragmented Ag or its effect on presentation by Ag-pulsed B cells indicated that damage to Ag uptake and processing could not account for the bulk of the radiation-induced Ag-presentation defect. Experiments with phosphatidylinositol hydrolysis as an indirect measure of TCR occupancy suggested that irradiation caused a fairly rapid (within 1 to 2 h) decrease in the ability of the B cell APC to display a stimulatory combination of Ag and class II molecule. Ag dose-response analyses demonstrated that when presenting a fragment of the Ag pigeon cytochrome c to a T cell clone, 3000 rad-treated B cell APC were able to stimulate approximately 50% as much phosphatidylinositol turnover as unirradiated B cells. It was also found that, in contrast to their inability to initiate T cell proliferation, and similarly to chemically cross-linked splenocytes, heavily irradiated resting B cells plus Ag induced a state of Ag hyporesponsiveness in T cell clones. This effect on T cells had the same Ag- and MHC-specificity as did receptor occupancy required for proliferation, indicating that heavily irradiated resting B cells bear functional class II molecules. Co-culture of T cells with allogeneic B cells and syngeneic heavily irradiated B cells or chemically cross-linked splenic APC plus Ag resulted in T cell proliferation and interfered with the induction of the hyporesponsive state. This co-stimulatory function was radiosensitive in resting allogeneic B cells

SYNTHESIS, CHARACTERIZATION AND ANTITUMOR ACTIVITY OF A Ca (II COORDINATION POLYMER BASED ON 3-AMINO-2-PYRAZINECARBOXYLIC ACID

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XI-SHI TAI

2015-10-01

Full Text Available A new Ca(II coordination polymer has been obtained by reaction of Ca(ClO42·H2O with 3-amino-2-pyrazinecarboxylic acid in CH3CH2OH/H2O. It was characterized by IR, 1HNMR, thermal analysis and X-ray single crystal diffraction analysis. X-ray analysis reveals that each Ca(II center is seven-coordination with a N2O5 distorted pentagonal bipyramidal coordination environment. The Ca(II ions are linked through the O atoms of 3-amino-2-pyrazinecarboxylic acid ligands to form 1D chain structure. And then a 3D network structure is constructed by hydrogen bonds and π-π stacking. The antitumor activity of 3-amino-2-pyrazinecarboxylic acid ligand and its Ca(II coordination polymer against human intestinal adenocarcinoma HCT-8 cells, lung adenocarcinoma HCT-116 cells and human lung adenocarcinoma A549 cells line have been investigated.

Complexes cobalt(II, zinc(II and copper(II with some newly synthesized benzimidazole derivatives and their antibacterial activity

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S. O. PODUNAVAC-KUZMANOVIC

1999-05-01

Full Text Available The preparation and properties of some complexes of cobalt(II, zinc(II and copper(II with several newly synthesized benzimidazole derivatives (L are reported. The complexes, of the general formula [MCl2L2] (M=Co(II, Zn(II and [CuCl2L(H2O], have a tetrahedral structure. The complexes were characterized by elemental analysis, molar conductivity, magnetic susceptibility measurements, IR and absorption electronic spectra. The antibacterial activitiy of the benzimidazoles and their complexes was evaluated against Erwinia carotovora subsp. carotovora and Erwinia amylovora. The complexes were found to be more toxic than the ligands.

Synthesis, characterization and biological studies of metal complexes of Co (II), Ni (II), Cu (II), Zn (II) with sulphadimidine-benzylidene

International Nuclear Information System (INIS)

Tahira, F.; Imran, M.; Iqbal, J.

2009-01-01

Some novel complexes of Co (II), Ni (II), Cu (II), and Zn (II) have been synthesized with a Schiff base ligand derived from sulphadimidine and benzaldehyde. The structural features of the complexes have been determined by elemental analysis, magnetic susceptibility, conductance measurement, UV/ Vis. and infrared spectroscopy. IR studies revealed that the Schiff base ligand Sulphadimidine-benzylidene has monoanionic bidendate nature and coordinate with metal ions through nitrogen atom of azomethine (>C = N) and deprotonated -NH group. All the complexes were assigned octahedral geometry on the basis of magnetic moment and electronic spectroscopic data. Low value of conductance supports their non-electrolytic nature. The ligand, as well as its complexes were checked for their in vitro antimicrobial activities against two gram positive bacterial strains, Bacillus subtillus. Staphylococcus aureus and one gram negative Salmonella typhae and five fungal strains, Nigrospora oryzae, Curvularia lunata, Drechslera rostrata, Aspergillus niger and Candida olbicans by disc diffusion method and agar plate technique, respectively. Both the antibacterial and antitungal activities of the synthesized metal complexes were found to be more as compared to parent drug and uncomplexed ligand. All the complexes contain coordinated water, which is lost at 141-160 degree C. (author)

Antioxidant Activity of a Geopropolis from Northeast Brazil: Chemical Characterization and Likely Botanical Origin.

Science.gov (United States)

Ferreira, Joselena M; Fernandes-Silva, Caroline C; Salatino, Antonio; Message, Dejair; Negri, Giuseppina

2017-01-01

Geopropolis is a product containing wax, plant resin, and soil particles. It is elaborated by stingless bees of tribe Meliponini. Methanol extracts of sample of geopropolis produced by Scaptotrigona postica ("mandaguari") in the state of Rio Grande do Norte (RN, northeast Brazil) were analyzed for the determination of standard parameters (total phenols, total flavonoids, and radical scavenging activity) and chemical characterization by HPLC-DAD-MS/MS analysis. The sample analyzed has high contents of total phenols and flavonoids, as well as high antioxidant activity. The constituents characterized were mainly flavonols, such as quercetin methyl ethers, and methoxychalcones. Such chemical profile is similar to the composition of a green propolis from the same area of RN, which is produced by Africanized Apis mellifera , using shoot apices of Mimosa tenuiflora , popularly known as "jurema-preta." This finding provides evidence that "mandaguari" geopropolis and honeybee propolis have the same botanical origin in RN. The sharing of a plant resin source by phylogenetically distant bees (Apinae and Meliponinae) suggests that bee genetic factors play little role in the choice of plants for resin collection and that the availability of potential botanical sources plays a decisive role.

Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II)

KAUST Repository

Tonks, Ian A.

2013-06-24

A class of titanium precatalysts of the type (ONO)TiX2 (ONO = pyridine-2,6-bis(4,6-di-tert-butylphenolate); X = Bn, NMe2) has been synthesized and crystallographically characterized. The (ONO)TiX2 (X = Bn, NMe2, X2 = NPh) complexes are highly active precatalysts for the hydroamination of internal alkynes with primary arylamines and some alkylamines. A class of titanium imido/ligand adducts, (ONO)Ti(L)(NR) (L = HNMe2, py; R = Ph, tBu), have also been synthesized and characterized and provide structural analogues to intermediates on the purported catalytic cycle. Furthermore, these complexes exhibit unusual redox behavior. (ONO)TiBn2 (1) promotes the cyclotrimerization of electron-rich alkynes, likely via a catalytically active TiII species that is generated in situ from 1. Depending on reaction conditions, these TiII species are proposed to be generated through Ti benzylidene or imido intermediates. A formally TiII complex, (ONO)Ti II(η2-C2H4)(HNMe2) (7), has been prepared and structurally characterized. © 2013 American Chemical Society.

Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II)

KAUST Repository

Tonks, Ian A.; Meier, Josef C.; Bercaw, John E.

2013-01-01

A class of titanium precatalysts of the type (ONO)TiX2 (ONO = pyridine-2,6-bis(4,6-di-tert-butylphenolate); X = Bn, NMe2) has been synthesized and crystallographically characterized. The (ONO)TiX2 (X = Bn, NMe2, X2 = NPh) complexes are highly active precatalysts for the hydroamination of internal alkynes with primary arylamines and some alkylamines. A class of titanium imido/ligand adducts, (ONO)Ti(L)(NR) (L = HNMe2, py; R = Ph, tBu), have also been synthesized and characterized and provide structural analogues to intermediates on the purported catalytic cycle. Furthermore, these complexes exhibit unusual redox behavior. (ONO)TiBn2 (1) promotes the cyclotrimerization of electron-rich alkynes, likely via a catalytically active TiII species that is generated in situ from 1. Depending on reaction conditions, these TiII species are proposed to be generated through Ti benzylidene or imido intermediates. A formally TiII complex, (ONO)Ti II(η2-C2H4)(HNMe2) (7), has been prepared and structurally characterized. © 2013 American Chemical Society.

Radiological, physical, and chemical characterization of low-level alpha contaminated wastes stored at the Idaho National Engineering Laboratory

International Nuclear Information System (INIS)

Apel, M.L.; Becker, G.K.; Ragan, Z.K.; Frasure, J.; Raivo, B.D.; Gale, L.G.; Pace, D.P.

1994-03-01

This document provides radiological, physical, and chemical characterization data for low-level alpha-contaminated radioactive and low-level alpha-contaminated radioactive and hazardous (i.e., mixed) wastes stored at the Idaho National Engineering Laboratory and considered for treatment under the Private Sector Participation Initiative Program. Waste characterization data are provided in the form of INEL Waste Profile Sheets. These documents provide, for each content code, information on waste identification, waste description, waste storage configuration, physical/chemical waste composition, radionuclide and associated alpha activity waste characterization data, and hazardous constituents present in the waste. Information is provided for 97 waste streams which represent an estimated total volume of 25,450 m 3 corresponding to a total mass of approximately 12,000,000 kg. In addition, considerable information concerning alpha, beta, gamma, and neutron source term data specific to Rocky Flats-generated waste forms stored at the INEL are provided to assist in facility design specification

Radiological, physical, and chemical characterization of low-level alpha contaminated wastes stored at the Idaho National Engineering Laboratory

Energy Technology Data Exchange (ETDEWEB)

Apel, M.L.; Becker, G.K.; Ragan, Z.K.; Frasure, J.; Raivo, B.D.; Gale, L.G.; Pace, D.P.

1994-03-01

This document provides radiological, physical, and chemical characterization data for low-level alpha-contaminated radioactive and low-level alpha-contaminated radioactive and hazardous (i.e., mixed) wastes stored at the Idaho National Engineering Laboratory and considered for treatment under the Private Sector Participation Initiative Program. Waste characterization data are provided in the form of INEL Waste Profile Sheets. These documents provide, for each content code, information on waste identification, waste description, waste storage configuration, physical/chemical waste composition, radionuclide and associated alpha activity waste characterization data, and hazardous constituents present in the waste. Information is provided for 97 waste streams which represent an estimated total volume of 25,450 m 3 corresponding to a total mass of approximately 12,000,000 kg. In addition, considerable information concerning alpha, beta, gamma, and neutron source term data specific to Rocky Flats-generated waste forms stored at the INEL are provided to assist in facility design specification.

Chemical characterization of microparticles by laser ablation in an ion trap mass spectrometer

International Nuclear Information System (INIS)

Dale, J.M.; Whitten, W.B.; Ramsey, J.M.

1991-01-01

We are developing a new technique for the chemical characterization of microparticles based upon the use of electrodynamic traps. The electrodynamic trap has achieved widespread use in the mass spectrometry community in the form of the ion trap mass spectrometer or quadrupole ion trap. Small macroscopic particles can be confined or levitated within the electrode structure of a three-dimensional quadrupole electrodynamic trap in the same way as fundamental charges or molecular ions by using a combination of ac and dc potentials. Our concept is to use the same electrode structure to perform both microparticle levitation and ion trapping/mass analysis. The microparticle will first be trapped and spatially stabilized within the trap for characterization by optical probes, i.e., absorption, fluorescence, or Raman spectroscopy. After the particle has been optically characterized, it is further characterized using mass spectrometry. Ions are generated from the particle surface using laser ablation or desorption. The characteristics of the applied voltages are changed to trap the ions formed by the laser with the ions subsequently mass analyzed. The work described in this paper focuses on the ability to perform laser desorption experiments on microparticles contained within the ion trap

Synthesis and Characterization of 4-Benzyloxybenzaldehyde-4-methyl-3-thiosemicarbazone (Containing Sulphur and Nitrogen Donor Atoms and Its Cd(II Complex

Directory of Open Access Journals (Sweden)

Lakshmi Narayana Suvarapu

2015-12-01

Full Text Available A chelating agent, 4-benzyloxybenzaldehyde-4-methyl-3-thiosemicarbazone (BBMTSC, containing sulphur and nitrogen donor atoms was synthesized and applied as a ligand for the chelation of Cd(II. Both the BBMTSC and its Cd(II complex were characterized by elemental analysis, UV-Vis absorption spectra, Fourier transform infrared spectroscopy (FT-IR, mass spectra, nuclear magnetic resonance spectroscopy (NMR, X-ray powder diffraction (XRD, and field emission scanning electron microscopy (FESEM. The FTIR spectra confirmed the formation of both BBMTSC and its Cd(II complex. XRD revealed the polycrystalline nature of the synthesized compounds. BBMTSC exhibited a flake-like micro-rod morphology, whereas the Cd(II complex had a flower-like nanorod structure.

Preparation and Spectral Properties of Mixed-Ligand Complexes of VO(IV, Ni(II, Zn(II, Pd(II, Cd(II and Pb(II with Dimethylglyoxime and N-acetylglycine

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Shayma A. Shaker

2010-01-01

Full Text Available A number of mixed-ligand complexes of the general formula [M(D(G] where D=dimethylglyoximato monoanion, G=N-acetylglycinato and M=VO(IV, Ni(II, Zn(II, Pd(II, Cd(II and Pb(II were prepared. Each complex was characterized by elemental analysis, determination of metal, infrared spectra, electronic spectra, (1H and 13C NMR spectra, conductivity and magnetic moments. All these complexes were not soluble in some of the organic solvent but highly soluble in dimethylformamide. The conductivity data showed the non-electrolytic nature of the complexes. The electronic spectra exhibited absorption bands in the visible region caused by the d-d electronic transition such as VO(IV, Ni(II and Pd(II. The IR and (1H, 13C NMR spectra which have indicate that the dimethylglyoxime was coordinated with the metal ions through the N and O atoms of the oxime group and N-acetylglycine was coordinated with metal ions through the N atom and terminal carboxyl oxygen atom.

Synthesis, structural characterization and cytotoxic activity of two new organoruthenium(II complexes

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SANJA GRGURIC-SIPKA

2008-06-01

Full Text Available Two new p-cymene ruthenium(II complexes containing as additional ligands N-methylpiperazine ([(η6-p-cymeneRuCl2(CH3NH(CH24NH]PF6, complex 1 or vitamin K3-thiosemicarbazone ([(η6-p-cymeneRuCl2(K3tsc], complex 2 were synthesized starting from [(η6-p-cymene2RuCl2]2 and the corresponding ligand. The complexes were characterized by elemental analysis, IR, electronic absorption and NMR spectroscopy. The X-ray crystal structure determination of complex 1 revealed “piano-stool” geometry. The differences in the cytotoxic activity of the two complexes are discussed in terms of the ligand present.

Synthesis, characterization, antimicrobial and antitumor reactivity of new palladium(II) complexes with methionine and tryptophane coumarine derivatives

Science.gov (United States)

Stojković, Danijela Lj; Jevtić, Verica V.; Vuković, Nenad; Vukić, Milena; Čanović, Petar; Zarić, Milan M.; Mišić, Milena M.; Radovanović, Dragče M.; Baskić, Dejan; Trifunović, Srećko R.

2018-04-01

In reaction of 3-acetyl-4-hydroxy coumarine with methionine methyl ester hydrochloride and tryptophane methyl ester hydrochloride the corresponding enamine ligands were obtained. Palladium (II) complexes were prepared in reaction of potassium-tetrachloridopalladate (II) and corresponding enamine. All compounds were characterized by microanalysis, infrared, 1H and 13C NMR spectroscopy. In vitro antitumor activity of the mentioned ligands and corresponding palladium (II) complexes, as well as me-Gly and me-Val ligands and [Pd (me-Gly)]Cl and [Pd (me-Val)2] complexes was determined by MTT assay against two leukemia cell lines (JVM-13 and MOLT-4) and against primary leukemic cells isolated from chronic lymphocytic leukemia (CLL) patients. Antimicrobial activity of the tested compound was evaluated by determining the minimum inhibitory concentration (MIC) and minimum microbicidal concentration (MMC) against three reference bacterial strains: E. faecalis, P. aeruginosa, S. aureus and one clinical isolate of yeast: Candida spp.

Mixed ligand complexes of alkaline earth metals: Part XII. Mg(II, Ca(II, Sr(II and Ba(II complexes with 5-chlorosalicylaldehyde and salicylaldehyde or hydroxyaromatic ketones

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MITHLESH AGRAWAL

2002-04-01

Full Text Available The reactions of alkaline earth metal chlorides with 5-chlorosalicylaldehyde and salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been carried out in 1 : 1 : 1 mole ratio and the mixed ligand complexes of the type MLL’(H2O2 (where M = Mg(II, Ca(II, Sr(II and Ba(II, HL = 5-chlorosalicylaldehyde and HL’ = salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been isolated. These complexes were characterized by TLC, conductance measurements, IR and 1H-NMR spectra.

Differential Effect of Solution Conditions on the Conformation of the Actinoporins Sticholysin II and Equinatoxin II

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EDSON V.F. FAUTH

2014-12-01

Full Text Available Actinoporins are a family of pore-forming proteins with hemolytic activity. The structural basis for such activity appears to depend on their correct folding. Such folding encompasses a phosphocholine binding site, a tryptophan-rich region and the activity-related N-terminus segment. Additionally, different solution conditions are known to be able to influence the pore formation by actinoporins, as for Sticholysin II (StnII and Equinatoxin II (EqtxII. In this context, the current work intends to characterize the influence of distinct solution conditions in the conformational behavior of these proteins through molecular dynamics (MD simulations. The obtained data offer structural insights into actinoporins dynamics in solution, characterizing its conformational behavior at the atomic level, in accordance with previous experimental data on StnII and EqtxII hemolytic activities.

Surface chemical and biological characterization of flax fabrics modified with silver nanoparticles for biomedical applications

International Nuclear Information System (INIS)

Paladini, F.; Picca, R.A.; Sportelli, M.C.; Cioffi, N.; Sannino, A.; Pollini, M.

2015-01-01

Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications and wound healing. This work aims to investigate the surface chemical composition and biological properties of silver nanoparticle-modified flax substrates. Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution, by means of a large-scale apparatus. The silver-coated materials were characterized through X-ray Photoelectron Spectroscopy (XPS), to assess the surface elemental composition of the coatings, and the chemical speciation of both the substrate and the antibacterial nanophases. A detailed investigation of XPS high resolution regions outlined that silver is mainly present on nanophases' surface as Ag 2 O. Scanning electron microscopy and energy dispersive X-ray spectroscopy were also carried out, in order to visualize the distribution of silver particles on the fibers. The materials were also characterized from a biological point of view in terms of antibacterial capability and cytotoxicity. Agar diffusion tests and bacterial enumeration tests were performed on Gram positive and Gram negative bacteria, namely Staphylococcus aureus and Escherichia coli. In vitro cytotoxicity tests were performed through the extract method on murine fibroblasts in order to verify if the presence of the silver coating affected the cellular viability and proliferation. Durability of the coating was also assessed, thus confirming the successful scaling up of the process, which will be therefore available for large-scale production. - Highlights: • Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications. • Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution. • Flax fabrics were characterized from a biological and surface chemical point of view. • Scaling up of the process was confirmed

Biotechnology in China II. Chemicals, energy and environment

Energy Technology Data Exchange (ETDEWEB)

Tsao, G.T. [Purdue Univ., West Lafayette, IN (United States). Lab. Renewable Resources Engineering; Ouyang, Pingkai [Nanjing Univ. of Technology (China). College of Life Science and Pharmaceutical Engineering; Chen, Jian (eds.) [Jiangnan Univ., Wuxi (China). School of Biotechnology

2010-07-01

The biochemical engineering and biotechnology is now becoming the most important industry all over the world. China, as a country that has more than 1.3 billion people, has become one of the fastest growing countries in the world during the last several decades. Both the Chinese government and companies pay more and more attention on the research and the application of biotechnology. In the 11th five-year plan (2006-2010), Chinese government unprecedented enhanced the support on the biotechnology in both policy and finance. Currently, the biotechnology gains the most R and D funding in China. With the great support and the increasingly frequent exchanges from abroad, the biotechnology in China becomes more and more important in the world. In recognition of the enormous advances in biotechnology in China, we are pleased to present the second volume of Advances in Biochemical Engineering/ Biotechnology: Biotechnology in China II, edited by P. K. Ouyang, J. Chen and G. T. Tsao, relatively soon after the introduction of the first volume of this multivolume comprehensive books. Since the previous volume was extremely well accepted by the scientific community, we have maintained the overall goal of creating a number of chapters, each devoted to a certain topic by several Chinese research groups working in the field, which provide scientists in academia and public institutions with a well-balanced and comprehensive overview of this growing field in China. We have fully revised the volume and expanded it from bioreaction, bioseparation and bioremediation to more extensive issues in order to cover all recent developments in China into account as much as possible. The new volume of Advances in Biochemical Engineering/Biotechnology: Biotechnology in China II is a comprehensive description of the state-of-the-art in China, and a guide to the understanding the work of Chinese biochemical engineering and biotechnology researchers. It is specifically directed to microbiologists

Clays for brick manufacturing in Actopan, Hidalgo: physical, chemical and mineralogical characterization

Energy Technology Data Exchange (ETDEWEB)

Moreno-Tovar, Raul; Yañez-Hernández, Osiris Annel; Pérez-Moreno, Fidel; Rodríguez-Lugo, Ventura [Área de Ciencias de la Tierra y Materiales, Universidad Autónoma del Estado de Hidalgo (Mexico); Rivera, José de Jesús Cruz [Universidad Autónoma de San Luis Potosí (Mexico); Rivera, Ana Leonor, E-mail: analeonor.ventura.2016@gmail.com [Universidad Nacional Autónoma de México, DF (Mexico)

2017-10-15

Samples of clays from Actopan, Hidalgo employed in brick manufacturing are physical, chemical and mineralogical characterized. Transmitted polarized light microscopy showed a uniform particle size with grain morphology characteristic of euhedral crystals with quartz, feldspars, nontronite, and iron oxides particles. Scanning Electron Microscopy revealed 75 μm to 90 μm wide subhedral structures formed by particles from 2.0 μm to 5.0 μm; and rombohedrales forms 40 μm wide, 70 µm long, constituted of silicon, aluminum, iron, titanium, calcium, minor amounts of potassium, magnesium, and sodium. Minerals such as quartz, albite, cristobalite, calcium and Hematite phases were recognized by X-Ray Diffraction technique. Chemical analysis by atomic emission spectrometry with Inductively Coupled Plasma confirmed this mineralogy composition while laser granulometry method found the same particle size. Grain size analysis determined submicrometric dimensions, and multimodal type curves, that can be interpreted as the mixing of two or more different mineral phases in each sample. (author)

Clays for brick manufacturing in Actopan, Hidalgo: physical, chemical and mineralogical characterization

International Nuclear Information System (INIS)

Moreno-Tovar, Raul; Yañez-Hernández, Osiris Annel; Pérez-Moreno, Fidel; Rodríguez-Lugo, Ventura; Rivera, José de Jesús Cruz; Rivera, Ana Leonor

2017-01-01

Samples of clays from Actopan, Hidalgo employed in brick manufacturing are physical, chemical and mineralogical characterized. Transmitted polarized light microscopy showed a uniform particle size with grain morphology characteristic of euhedral crystals with quartz, feldspars, nontronite, and iron oxides particles. Scanning Electron Microscopy revealed 75 μm to 90 μm wide subhedral structures formed by particles from 2.0 μm to 5.0 μm; and rombohedrales forms 40 μm wide, 70 µm long, constituted of silicon, aluminum, iron, titanium, calcium, minor amounts of potassium, magnesium, and sodium. Minerals such as quartz, albite, cristobalite, calcium and Hematite phases were recognized by X-Ray Diffraction technique. Chemical analysis by atomic emission spectrometry with Inductively Coupled Plasma confirmed this mineralogy composition while laser granulometry method found the same particle size. Grain size analysis determined submicrometric dimensions, and multimodal type curves, that can be interpreted as the mixing of two or more different mineral phases in each sample. (author)

SPITZER AND HERSCHEL MULTIWAVELENGTH CHARACTERIZATION OF THE DUST CONTENT OF EVOLVED H II REGIONS

Energy Technology Data Exchange (ETDEWEB)

Paladini, R. [NASA Herschel Science Center, California Institute of Technology, 1200, East California Boulevard, Pasadena, CA 91125 (United States); Umana, G. [INAF-Osservatorio Astrofisico di Catania, Via S. Sofia 78, I-95123 Catania (Italy); Veneziani, M.; Noriega-Crespo, A. [Infrared Processing and Analysis Center, California Institute of Technology, 1200, East California Boulevard, Pasadena, CA 91125 (United States); Anderson, L. D. [Department of Physics, West Virginia University, Morgantown, WV 26506 (United States); Piacentini, F. [Dipartimento di Fisica, Universita di Roma La Sapienza, I-00185 Roma (Italy); Pinheiro Goncalves, D. [Department of Astronomy and Astrophysics, University of Toronto 50 George Street, Toronto, ON M5S 3H4 (Canada); Paradis, D.; Bernard, J.-P. [Centre d' Etude Spatiale des Rayonnements, 9 Avenue du Colonel Roche, F-31028 Toulouse Cedex 4 (France); Tibbs, C. T. [Spitzer Science Center, California Institute of Technology, 1200, East California Boulevard, Pasadena, CA 91125 (United States); Natoli, P., E-mail: paladini@ipac.caltech.edu [Istituto Nazionale di Fisica Nucleare, Sezione Ferrara, I-44100 Ferrara (Italy)

2012-12-01

We have analyzed a uniform sample of 16 evolved H II regions located in a 2 Degree-Sign Multiplication-Sign 2 Degree-Sign Galactic field centered at (l,b) = (30 Degree-Sign , 0 Degree-Sign ) and observed as part of the Herschel Hi-GAL survey. The evolutionary stage of these H II regions was established using ancillary radio-continuum data. By combining Hi-GAL PACS (70 {mu}m, 160 {mu}m) and SPIRE (250 {mu}m, 350 {mu}m, and 500 {mu}m) measurements with MIPSGAL 24 {mu}m data, we built spectral energy distributions of the sources and showed that a two-component gray-body model is a good representation of the data. In particular, wavelengths >70 {mu}m appear to trace a cold dust component, for which we estimated an equilibrium temperature of the big grains (BGs) in the range 20-30 K, while for {lambda} < 70 {mu}m, the data indicate the presence of a warm dust component at temperatures of the order of 50-90 K. This analysis also revealed that dust is present in the interior of H II regions, although likely not in a large amount. In addition, the data seem to corroborate the hypothesis that the main mechanism responsible for the (partial) depletion of dust in H II regions is radiation-pressure-driven drift. In this framework, we speculated that the 24 {mu}m emission that spatially correlates with ionized gas might be associated with either very small grain or BG replenishment, as recently proposed for the case of wind-blown bubbles. Finally, we found that evolved H II regions are characterized by distinctive far-IR and submillimeter colors, which can be used as diagnostics for their identification in unresolved Galactic and extragalactic regions.

Thermochemical Conversion of Woody Biomass to Fuels and Chemicals Final Report

Energy Technology Data Exchange (ETDEWEB)

Pendse, Hemant P. [Univ. of Maine, Orono, ME (United States)

2015-09-30

Maine and its industries identified more efficient utilization of biomass as a critical economic development issue. In Phase I of this implementation project, a research team was assembled, research equipment was implemented and expertise was demonstrated in pyrolysis, hydrodeoxygenation of pyrolysis oils, catalyst synthesis and characterization, and reaction engineering. Phase II built upon the infrastructure to innovate reaction pathways and process engineering, and integrate new approaches for fuels and chemical production within pulp and paper and other industries within the state. This research cluster brought together chemists, engineers, physicists and students from the University of Maine, Bates College, and Bowdoin College. The project developed collaborations with Oak Ridge National Laboratory and Brookhaven National Laboratory. The specific research projects within this proposal were of critical interest to the DoE - in particular the biomass program within EERE and the catalysis/chemical transformations program within BES. Scientific and Technical Merit highlights of this project included: (1) synthesis and physical characterization of novel size-selective catalyst/supports using engineered mesoporous (1-10 nm diameter pores) materials, (2) advances in fundamental knowledge of novel support/ metal catalyst systems tailored for pyrolysis oil upgrading, (3) a microcalorimetric sensing technique, (4) improved methods for pyrolysis oil characterization, (5) production and characterization of woody biomass-derived pyrolysis oils, (6) development of two new patented bio oil pathways: thermal deoxygenation (TDO) and formate assisted pyrolysis (FASP), and (7) technoeconomics of pyrolysis of Maine forest biomass. This research cluster has provided fundamental knowledge to enable and assess pathways to thermally convert biomass to hydrocarbon fuels and chemicals.

Fabrication and characterization of a chemically oxidized-nanostructured porous silicon based biosensor implementing orienting protein A.

Science.gov (United States)

Naveas, Nelson; Hernandez-Montelongo, Jacobo; Pulido, Ruth; Torres-Costa, Vicente; Villanueva-Guerrero, Raúl; Predestinación García Ruiz, Josefa; Manso-Silván, Miguel

2014-03-01

Nanostructured porous silicon (PSi) elicits as a very attractive material for future biosensing systems due to its high surface area, biocompatibility and well-established fabrication methods. In order to engineer its performance as a biosensor transducer platform, the density of immunoglobulins properly immobilized and oriented onto the surface needs to be optimized. In this work we fabricated and characterized a novel biosensing system focusing on the improvement of the biofunctionalization cascade. The system consists on a chemically oxidized PSi platform derivatized with 3-aminopropyltriethoxysilane (APTS) that is coupled to Staphylococcus protein A (SpA). The chemical oxidation has previously demonstrated to enhance the biofunctionalization process and here "by implementing SpA" a molecularly oriented immunosensor is achieved. The biosensor system is characterized in terms of its chemical composition, wettability and optical reflectance. Finally, this system is successfully exploited to develop a biosensor for detecting asymmetric dimethylarginine (ADMA), an endogenous molecule involved in cardiovascular diseases. Therefore, this work is relevant from the point of view of design and optimization of the biomolecular immobilization cascade on PSi surfaces with the added value of contribution to the development of new assays for detecting ADMA with a view on prevention of cardiovascular diseases. Copyright © 2013 Elsevier B.V. All rights reserved.

Characterization of the pharmacokinetics of gasoline using PBPK modeling with a complex mixtures chemical lumping approach.

Science.gov (United States)

Dennison, James E; Andersen, Melvin E; Yang, Raymond S H

2003-09-01

Gasoline consists of a few toxicologically significant components and a large number of other hydrocarbons in a complex mixture. By using an integrated, physiologically based pharmacokinetic (PBPK) modeling and lumping approach, we have developed a method for characterizing the pharmacokinetics (PKs) of gasoline in rats. The PBPK model tracks selected target components (benzene, toluene, ethylbenzene, o-xylene [BTEX], and n-hexane) and a lumped chemical group representing all nontarget components, with competitive metabolic inhibition between all target compounds and the lumped chemical. PK data was acquired by performing gas uptake PK studies with male F344 rats in a closed chamber. Chamber air samples were analyzed every 10-20 min by gas chromatography/flame ionization detection and all nontarget chemicals were co-integrated. A four-compartment PBPK model with metabolic interactions was constructed using the BTEX, n-hexane, and lumped chemical data. Target chemical kinetic parameters were refined by studies with either the single chemical alone or with all five chemicals together. o-Xylene, at high concentrations, decreased alveolar ventilation, consistent with respiratory irritation. A six-chemical interaction model with the lumped chemical group was used to estimate lumped chemical partitioning and metabolic parameters for a winter blend of gasoline with methyl t-butyl ether and a summer blend without any oxygenate. Computer simulation results from this model matched well with experimental data from single chemical, five-chemical mixture, and the two blends of gasoline. The PBPK model analysis indicated that metabolism of individual components was inhibited up to 27% during the 6-h gas uptake experiments of gasoline exposures.

Study of the application of non-plastic clays from Pocos de Caldas - part 1: chemical-mineralogic characterization

International Nuclear Information System (INIS)

Roveri, C.D.; Mariano, N.A.; Faustino, L.M.; Aielo, G.F.; Pinto, L.P.A.; Maestrelli, S.C.

2011-01-01

Pocos de Caldas is an important 'hidrotermomineral' center of Brazil, where can be found non-plastic clays deposits with no significant records about its characterization; this fact difficult the studies of industrial application. These nonplastic clays, not used, have been stored in sheds or open, which creates a high cost to the industry, and become an environmental liability. In the present work, the chemical-mineralogical study of six samples of non-plastic clays was realized, to expand the horizons of researches about such materials. This preliminary study showed that, overall, the samples are composed of refractory minerals such as kaolinite and gibbsite, with less significant amounts of other phases such as quartz, illite and vermiculite. The chemical analysis permitted the grouping of raw materials into two groups according to their refractories proprieties, guiding to the subsequent characterization. (author)

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. HONGYAN LIN. Articles written in Journal of Chemical Sciences. Volume 127 Issue 7 July 2015 pp 1275-1285 Regular Articles. Three 2 D copper(II)/cadmium(II) coordination polymers based on semi-rigid/flexible bis-pyridyl-bis-amide ligands and 5-aminoisophthalate: ...

Characterization and evolutionary implications of the triad Asp-Xxx-Glu in group II phosphopantetheinyl transferases.

Science.gov (United States)

Wang, Yue-Yue; Li, Yu-Dong; Liu, Jian-Bo; Ran, Xin-Xin; Guo, Yuan-Yang; Ren, Ni-Ni; Chen, Xin; Jiang, Hui; Li, Yong-Quan

2014-01-01

Phosphopantetheinyl transferases (PPTases), which play an essential role in both primary and secondary metabolism, are magnesium binding enzymes. In this study, we characterized the magnesium binding residues of all known group II PPTases by biochemical and evolutionary analysis. Our results suggested that group II PPTases could be classified into two subgroups, two-magnesium-binding-residue-PPTases containing the triad Asp-Xxx-Glu and three-magnesium-binding-residue-PPTases containing the triad Asp-Glu-Glu. Mutations of two three-magnesium-binding-residue-PPTases and one two-magnesium-binding-residue-PPTase indicate that the first and the third residues in the triads are essential to activities; the second residues in the triads are non-essential. Although variations of the second residues in the triad Asp-Xxx-Glu exist throughout the whole phylogenetic tree, the second residues are conserved in animals, plants, algae, and most prokaryotes, respectively. Evolutionary analysis suggests that: the animal group II PPTases may originate from one common ancestor; the plant two-magnesium-binding-residue-PPTases may originate from one common ancestor; the plant three-magnesium-binding-residue-PPTases may derive from horizontal gene transfer from prokaryotes.

Adsorption of Cu(II), Hg(II), and Ni(II) ions by modified natural wool chelating fibers

International Nuclear Information System (INIS)

Monier, M.; Ayad, D.M.; Sarhan, A.A.

2010-01-01

The graft copolymerization of ethyl acrylate (EA) onto natural wool fibers initiated by potassium persulphate and Mohr's salt redox initiator system in limited aqueous medium was carried out in heterogeneous media. Ester groups of the grafted copolymers were partially converted into hydrazide function groups followed by hydrazone formation through reaction with isatin. Also the application of the modified fibers for metal ion uptake was studied using Cu(II), Hg(II) and Ni(II). The modified chelating fibers were characterized using FTIR spectroscopy, SEM and X-ray diffraction.

Sonochemical synthesis and characterization of nano-sized zinc(II coordination complex as a precursor for the preparation of pure-phase zinc(II oxide nanoparticles

Directory of Open Access Journals (Sweden)

Maryam Ranjbar

2017-01-01

Full Text Available In current study, nanoparticles and single crystals of a Zn(II coordination complex, [Zn(dmphI2](1, {dmph=2,9-dimethyl-1,10-phenanthroline(neocuproine}, have been synthesized by the reaction of zinc(II acetate, KI and neocuproine as ligand in methanol using sonochemical and heat gradient methods, respectively. The nanostructure of 1 was characterized by scanning electron microscopy (SEM, X-ray powder diffraction (XRD, FT-IR spectroscopy and elemental analyses, and the structure of compound 1 was determined by single-crystal X-ray diffraction. The thermal stability of nano-sized 1 has been studied by thermogravimetric (TG and differential thermal analyses (DTA. Structural determination of compound 1 reveals the Zn(II ion is four-coordinated in a distorted tetrahedral configuration by two N atoms from a 2,9-dimethyl-1,10-Phenanthroline ligand and two terminal I atoms. The effect of supercritical condition on stability, size and morphology of nano-structured compound 1 has also been studied. The XRD pattern of the residue obtained from thermal decomposition of nano-sized compound 1 at 600 °C under air atmosphere provided pure phase of ZnO with the average particles size of about 31 nm.

Preparation and characterization of electrically conducting polypyrrole Sn(IV phosphate cation-exchanger and its application as Mn(II ion selective membrane electrode

Directory of Open Access Journals (Sweden)

A.A. Khan

2011-10-01

Full Text Available Polypyrrole Sn(IV phosphate, an organic–inorganic composite cation-exchanger was synthesized via sol-gel mixing of an organic polymer, polypyrrole, into the matrices of the inorganic precipitate of Sn(IV phosphate. The physico-chemical properties of the material were determined using Atomic Absorption Spectrometry (AAS, CHN elemental analysis (inductively coupled plasma mass spectrometry, ICP-MS, UV–VIS spectrophotometry, FTIR (Fourier Transform Infra-Red, SEM (Scanning Electron Microscopy, TGA–DTA (Thermogravimetric Analysis–Differential Thermal Analysis, and XRD (X-ray diffraction. Ion-exchange behavior was observed to characterize the material. On the basis of distribution studies, the material was found to be highly selective for toxic heavy metal ion Mn2+. Due to its selective nature, the material was used as an electroactive component for the construction of an ion-selective membrane electrode. The proposed electrode shows fairly good discrimination of mercury ion over several other inorganic ions. The analytical utility of this electrode was established by employing it as an indicator electrode in electrometric titrations for Mn(II in water.

Characterization of a meso-chiral isomer of a hexanuclear Cu(II) cage from racemization of the L-alanine Schiff base.

Science.gov (United States)

Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra

2014-09-14

We are reporting structural characterization of two new hexanuclear cages (H3O)2[Cu3(μ3-OH)(μ3-NH3)(0.5)(L)3]2·8H2O (1) and (H3O)2[Cu3(μ3-OH)(μ3-H2O)(0.5)(L)3]2·8H2O (1a) where L(2-) is the dianionic form of the Schiff base of L-alanine and salicylaldehyde. The complex 1 has two C3 symmetric hydroxo bridged trinuclear halves joined by an ammonia or water molecule at the center through H-bonding. Each of the trinuclear halves is enantiopure but of opposite chirality to the other half, making the hexanuclear unit a meso isomer. Temperature dependent magnetic measurements showed the presence of ferromagnetic interactions among trinuclear Cu(II) units, a rare occurrence among trinuclear Cu(II) complexes. Characterization of the LiHL showed it to be enantiopure. Addition of a base, monitored using optical rotation, showed that racemization occurs as a result of base addition. The racemization depends on the base as well as the temperature. Base or Cu(II) induced racemization of amino acid derivatives has been indicated in a number of cases in the past but structural characterization of the products or formation of this type of chiral hexanuclear architecture was never reported. Structures of the complex and the ligand have a number of interesting H-bonding situations.

Synthesis and Characterization of Block Copolymers with Unique Chemical Functionalities and Entropically-Hindering Moieties

Science.gov (United States)

2017-08-14

methanol as a function of chemistry , morphology and hydration levels. Accomplishments: This section is included in the "upload" section. Training...Copolymer Blend Membranes.” In Press, Polymer Engineering and Science, DOI: 10.1002 /pen.24508, 2017. 5. M. Pérez-Pérez and D. Suleiman. “Synthesis and...Synthesis and Characterization of Sulfonated Amine Block Copolymers for Energy Efficient Applications". Chemical Engineering Symposium, University of

Thermodynamics of the Cu(II) adsorption on thin vanillin-modified chitosan membranes

International Nuclear Information System (INIS)

Cestari, Antonio R.; Vieira, Eunice F.S.; Mattos, Charlene R.S.

2006-01-01

In this work, low-density vanillin-modified thin chitosan membranes were synthesized and characterized. The membranes were utilized as adsorbent for the removal of Cu(II) from aqueous solutions. The experimental data obtained in batch experiments at different temperatures were fitted to the Langmuir and Freundlich isotherms to obtain the characteristic parameters of each model. The adsorption equilibrium data fitted well with the Langmuir model (average R 2 > 0.99). Interactions thermodynamic parameters (Δ int H, Δ int G, and Δ int S), as well as the interaction thermal effects (Q int ) were determined from T = (298 to 333) K. The thermodynamic parameters, the Dubinin-Radushkevick equation and the comparative values of Δ int H for some Cu(II)-adsorbent interactions suggested that the adsorption of Cu(II) ions to vanillin-chitosan membranes show average results for both the diffusional (endothermic) and chemical bonding (exothermic) processes in relation to the temperature range studied

Adsorption of Cu(II), Hg(II), and Ni(II) ions by modified natural wool chelating fibers

Energy Technology Data Exchange (ETDEWEB)

Monier, M., E-mail: monierchem@yahoo.com [Chemistry Department, Drexel University, Philadelphia, PA (United States); Chemistry Department, Faculty of Science, Mansoura University, Mansoura (Egypt); Ayad, D.M.; Sarhan, A.A. [Chemistry Department, Faculty of Science, Mansoura University, Mansoura (Egypt)

2010-04-15

The graft copolymerization of ethyl acrylate (EA) onto natural wool fibers initiated by potassium persulphate and Mohr's salt redox initiator system in limited aqueous medium was carried out in heterogeneous media. Ester groups of the grafted copolymers were partially converted into hydrazide function groups followed by hydrazone formation through reaction with isatin. Also the application of the modified fibers for metal ion uptake was studied using Cu(II), Hg(II) and Ni(II). The modified chelating fibers were characterized using FTIR spectroscopy, SEM and X-ray diffraction.

Adsorption of Cu(II), Hg(II), and Ni(II) ions by modified natural wool chelating fibers.

Science.gov (United States)

Monier, M; Ayad, D M; Sarhan, A A

2010-04-15

The graft copolymerization of ethyl acrylate (EA) onto natural wool fibers initiated by potassium persulphate and Mohr's salt redox initiator system in limited aqueous medium was carried out in heterogeneous media. Ester groups of the grafted copolymers were partially converted into hydrazide function groups followed by hydrazone formation through reaction with isatin. Also the application of the modified fibers for metal ion uptake was studied using Cu(II), Hg(II) and Ni(II). The modified chelating fibers were characterized using FTIR spectroscopy, SEM and X-ray diffraction. 2009 Elsevier B.V. All rights reserved.

In situ chemical characterization of waste sludges using FTIR-based fiber optic sensors

International Nuclear Information System (INIS)

Rebagay, T.V.; Dodd, D.A.; Jeppson, D.W.; Lockrem, L.L.; Blewett, G.R.

1994-02-01

The characterization of unknown mixed wastes is a mandatory step in today's climate of strict environmental regulations. Cleaning up the nuclear and chemical wastes that have accumulated for 50 years at the Hanford Site is the largest single cleanup task in the United States today. The wastes are stored temporarily in carbon steel single- and double-shell tanks that are buried in tank farms at the Site. In the 1950s, a process to scavenge radioactive cesium and other soluble radionuclides in the wastes was developed to create additional tank space for waste storage. This scavenging process involved treatment of the wastes with alkali cyanoferrates and nickel sulfate to precipitate 137 Cs in the presence of nitrate oxidant. Recent safety issues have focused on the stability of cyanoferrate-bearing wastes with large quantities of nitrates and nitrites. Nitrate has been partially converted to nitrite as a result of radiolysis during more than 35 years of storage. The major safety issue is the possibility of the presence of local hot spots enriched in 137 Cs and 90 Sr that under optimum conditions can self-heat causing dry out and a potential runaway reaction of the cyanoferrates with the nitrates/nitrites). For waste tank safety, accurate data of the concentration and distribution of cyanoferrates in the tanks are needed. Because of the extensive sampling required and the highly restricted activities allowed in the tank farms, simulated tank wastes are used to provide an initial basis for identifying and quantifying realistic concerns prior to waste remediation. Fiber optics provide a tool for the remote and in situ characterization of hazardous and toxic materials. This study is focused on near-infrared (NIR) and mid-infrared (MIR) fiber optic sensors for in situ chemical characterization of Hanford Site waste sludges

Growth and characterization of high-Tc Y1Ba2Cu3O7-x superconducting thin films by chemical vapor deposition

International Nuclear Information System (INIS)

Feng, A.

1992-01-01

In chapter I, the current status of high-Tc superconductors (especially Y 1 Ba 2 Cu 3 O 7-x ), their microstructures and their unique physical properties are reviewed. An introduction to the potential and importance of those high-Tc superconductors in practical applications, especially for the application of YBCO thin films in microelectronics, is given. A general description of the common YBCO thin film fabrication and characterization techniques is also presented in this first chapter. Chapter II describes a new CVD process, temperature-controlled chemical vapor deposition (TC-CVD) for the growth of YBCO superconducting thin films on substrates of practical importance, such as sapphire (Al 2 O 3 ) and on substrates of lattice matched perovskite-type single crystals, such as LaAlO 3 . In order to verify the viability of this new CVD process the qualities of YBCO superconducting thin films were examined by various characterization methods, such as resistivity vs. temperature (R vs. T), scanning electron microscopy (SEM), X-ray diffraction (XRD), and magnetic susceptibility (x) measurements. Chapter III deals with the effect of substrate temperature on the properties of YBCO thin films made by TC-CVD. The principle objective of this study is to raise the transition temperature and critical current densities of CVD YBCO superconducting thin films. Understanding the relations between YBCO film growth process and varying substrate temperatures proved to be crucial in reaching this goal. The authors present the characterization results of YBCO thin films produced by different temperature schemes, to illustrate the importance of varying substrate temperature during the film growth. In chapter IV, the Rutherford backscattering (RBS) channeling technique is described. They have used RBS channeling to characterize the epitaxial YBCO thin film's crystallinity and lattice alignment. Transmission electron microscopy studies are also included

Structural and optical characterization of self-assembled Ge nanocrystal layers grown by plasma-enhanced chemical vapor deposition

NARCIS (Netherlands)

Saeed, S.; Buters, F.; Dohnalova, K.; Wosinski, L.; Gregorkiewicz, T.

2014-01-01

We present a structural and optical study of solid-state dispersions of Ge nanocrystals prepared by plasma-enhanced chemical vapor deposition. Structural analysis shows the presence of nanocrystalline germanium inclusions embedded in an amorphous matrix of Si-rich SiO2. Optical characterization

Synthesis and characterization of near-IR absorbing metal-free and zinc(II phthalocyanines modified with aromatic azo groups

Directory of Open Access Journals (Sweden)

Mukaddes Özçeşmeci

2015-05-01

Full Text Available Metal-free and zinc(II phthalocyanine complexes bearing peripheral (E-4-((2-hydroxynaphthalen-1-yldiazenyl units have been synthesized. Novel phthalonitrile derivative required for the preparation of phthalocyanine complexes was prepared by coupling 4-aminophthalonitrile and 2-naphthol. The structures of these new compounds were characterized by using elemental analyses, proton nuclear magnetic resonance, fourier transform infrared spectroscopy, ultraviolet–visible spectroscopy, fluorescence spectroscopy and mass spectrometry. In the UV-Vis spectra a broad absorption band appears for phthalocyanine complexes at around 450–500 nm resulting from azo-group introduced onto the phthalocyanine ring. The photophysical properties of metal-free and zinc(II phthalocyanines were studied in tetrahydrofuran.

Enhanced photocatalytic reduction of Hg(II) in aqueous medium by 2-aminothiazole-modified TiO2 particles

OpenAIRE

Cristante,Valtair M.; Araujo,Adriana B.; Jorge,Sônia M. A.; Florentino,Ariovaldo O.; Valente,José P. S.; Padilha,Pedro M.

2006-01-01

This work describes the synthesis and characterization of 2-aminothiazole-modified titania and its application on Hg (II) photoreduction in aqueous medium. Infrared spectroscopy confirmed the chemical modification of the titania matrix. The number of 2-aminothiazole groups attached to the titania was determined by Kjeldahl's method. The photocatalytic experiments were carried out in a cylindrical photoreactor thermostatted at 298 K. The resulting modified photocatalyst 2-aminothiazole titania...

Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(n-heterocyclic carbene) complexes of iron(II)

KAUST Repository

Rieb, Julia

2014-09-15

The synthesis of iron(II) complexes bearing new heteroatom-functionalized methylene-bridged bis(N-heterocyclic carbene) ligands is reported. All complexes are characterized by single-crystal X-ray diffraction (SC-XRD), nuclear magnetic resonance (NMR) spectroscopy, and elemental analysis. Tetrakis(acetonitrile)-cis-[bis(o-imidazol-2-ylidenefuran)methane]iron(II) hexafluorophosphate (2a) and tetrakis(acetonitrile)-cis-[bis(o-imidazol-2-ylidenethiophene)methane]iron(II) hexafluorophosphate (2b) were obtained by aminolysis of [Fe{N(SiMe3)2}2(THF)] with furan- and thiophene-functionalized bis(imidazolium) salts 1a and 1b in acetonitrile. The SC-XRD structures of 2a and 2b show coordination of the bis(carbene) ligand in a bidentate fashion instead of a possible tetradentate coordination. The four other coordination sites of these distorted octahedral complexes are occupied by acetonitrile ligands. Crystallization of 2a in an acetone solution by the slow diffusion of Et2O led to the formation of cisdiacetonitriledi[ bis(o-imidazol-2-ylidenefuran)methane]iron(II) hexafluorophosphate (3a) with two bis(carbene) ligands coordinated in a bidentate manner and two cis-positioned acetonitrile molecules. Compounds 2a and 2b are the first reported iron(II) carbene complexes with four coordination sites occupied by solvent molecules, and it was demonstrated that those solvent ligands can undergo ligand-exchange reactions.

Metal oxide nanostructures: preparation, characterization and functional applications as chemical sensors.

Science.gov (United States)

Zappa, Dario; Bertuna, Angela; Comini, Elisabetta; Kaur, Navpreet; Poli, Nicola; Sberveglieri, Veronica; Sberveglieri, Giorgio

2017-01-01

Preparation and characterization of different metal oxide (NiO, WO 3 , ZnO, SnO 2 and Nb 2 O 5 ) nanostructures for chemical sensing are presented. p-Type (NiO) and n-type (WO 3 , SnO 2 , ZnO and Nb 2 O 5 ) metal oxide nanostructures were grown on alumina substrates using evaporation-condensation, thermal oxidation and hydrothermal techniques. Surface morphologies and crystal structures were investigated through scanning electron microscopy and Raman spectroscopy. Furthermore, different batches of sensors have been prepared, and their sensing performances towards carbon monoxide and nitrogen dioxide have been explored. Moreover, metal oxide nanowires have been integrated into an electronic nose and successfully applied to discriminate between drinking and contaminated water.

Characterization of Cr2O3 thin films obtained by chemical vapor deposition

International Nuclear Information System (INIS)

Pillis, M.F.; Galego, E.; Serna, M.M.; Correa, O.V.; Ramanathan, L.V.; Franco, A.C.

2010-01-01

The goal of this work was the synthesis and characterization of Cr 2 O 3 thin films, obtained by chemical vapor deposition, using chromium acetylacetonate as chromium precursor. The growth of the films was carried out in a conventional horizontal MOCVD equipment, under pressures varying from 2 to 10 mbar, and temperature of 600 deg C. It was observed that the growth of the films only occurs when oxygen is present in the atmosphere. Under growth pressures of 2 and 5 mbar the growth takes place but under 10 mbar of pressure the precursor is dragged and the growth does not occur. The characterization of the films was performed by using scanning electron microscopy and X-ray diffraction. The films presented a columnar structure, and thickness varying from 40 to 250 nm. The influence of some process parameters is discussed. (author)

PREPARATION AND CHARACTERIZATION OF IRON SULPHIDE THIN FILMS BY CHEMICAL BATH DEPOSITION METHOD

Directory of Open Access Journals (Sweden)

Anuar Kassim

2010-06-01

Full Text Available FeS2 thin films have been deposited by using low cost chemical bath deposition technique. The films obtained under deposition parameters such as bath temperature (90 °C, deposition period (90 min, electrolyte concentration (0.15 M and pH of the reactive mixture (pH 2.5. The thin films were characterized using X-ray diffraction and atomic force microscopy in order to study the structural and morphological properties. The band gap energy, transition type and absorption properties were determined using UV-Vis Spectrophotometer. X-ray diffraction displayed a pattern consistent with the formation of an orthorhombic structure, with a strong (110 preferred orientation. Atomic force microscopy image showed the substrate surface is well covered with irregular grains. A direct band gap of 1.85 eV was obtained according to optical absorption studies.   Keywords: Iron sulfide, X-ray diffraction, chemical bath deposition, thin films

Copper(II) complexes of methimazole, an anti Grave's disease drug. Synthesis, characterization and its potential biological behavior as alkaline phosphatase inhibitor.

Science.gov (United States)

Urquiza, Nora M; Manca, Silvia G; Moyano, María A; Dellmans, Raquel Arrieta; Lezama, Luis; Rojo, Teófilo; Naso, Luciana G; Williams, Patricia A M; Ferrer, Evelina G

2010-04-01

Methimazole (MeimzH) is an anti-thyroid drug and the first choice for patients with Grave's disease. Two new copper(II) complexes of this drug: [Cu(MeimzH)(2)(NO(3))(2)]*0.5H(2)O and [Cu(MeimzH)(2)(H(2)O)(2)](NO(3))(2)*H(2)O were synthesized and characterized by elemental analysis, dissolution behavior, thermogravimetric analysis and UV-vis, diffuse reflectance, FTIR and EPR spectroscopies. As it is known that copper(II) cation can act as an inhibitor of alkaline phosphatase (ALP), the inhibitory effect of methimazole and its copper(II) complexes on ALP activity has also been investigated.

Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers

International Nuclear Information System (INIS)

Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A. Umran; Ottaviani, Maria Francesca

2016-01-01

Highlights: • Differently carcinogenic zeolite fibers were investigated combining physico-chemical methods. • For the first time, zeolite fibers were studied by means of the EPR technique using different spin probes. • The structural properties and the adsorption capability are function of different types and distributions of adsorption sites. • The interacting ability of erionite is higher than that of other fibrous zeolites. • The surface interacting properties may be related with the carcinogenicity of the zeolite fibers. - Abstract: Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si–O–Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity.

Characterization of the chemical composition of Adenostemma lavenia (L.) Kuntze and Adenostemma platyphyllum Cass

Science.gov (United States)

Fauzan, A.; Praseptiangga, D.; Hartanto, R.; Pujiasmanto, B.

2018-01-01

The purpose of this study was to characterize the chemical compounds of Adenostemma lavenia (L.) Kuntze (Al) and Adenostemma platyphyllum Cass (Ap) using Pyrolysis-gas chromatography/mass spectrometry (Py-GCMS) and proximate analysis. Two species of Adenostemma samples (roots, stem and leaves) about 1 mg was pyrolyzed directly at the optimum temperature of 600°C. Py-GCMS was relatively fast, easy to use and without samples preparation and identification of the chemical compounds was carried out by comparison of the mass spectra obtained with those stored in Wiley 7th libraries. The data of proximate analysis were statistically analysed using Friedman test followed and hierarchical cluster analysis (HCA) for data of Py-GCMS. The result of proximate analysis showed that A. lavenia (L.) Kuntze (Al) and A. platyphyllum Cass (Ap) contained 8.27% (Al) and 9.18% (Ap) of water, 11.52% (Al) and 17.84% (Ap) of protein, 5.67% (Al) and 6.33% (Ap) of fat, and 17.32% (Al) and 19.94 (Ap) of ash. Amines, aldehydes, fatty acids, terpenoids-steroids, alkaloids, aromatic and aliphatic hydrocarbons, phenolic, and oligopeptides as part of 125 chemical compounds of each species are identified by Py-GCMS analysis. Hierarchical cluster analysis of pyrolysis products indicate not similitary of major chemical compounds of two Adenostemma species.

Synthesis, characterization, and biological activity of a new palladium(II) complex with deoxyalliin

Energy Technology Data Exchange (ETDEWEB)

Corbi, P.P.; Massabni, A.C. [Inst. de Quimica - UNESP, Dept., Dept. de Quimica Geral e Inoganica, Araraquara (Brazil)]. E-mail: pedrocorbi@yahoo.com; Moreira, A.G. [Inst. de Quimica - UNESP, Dept. de Quimica Geral e Inoganica, Araraquara (Brazil); Faculdade de Medicina de Ribeirao Preto - USP, Dept. de Bioquimica e Imunologia, Ribeirao Preto (Brazil); Medrano, F.J. [Laboratorio Nacional de Luz Sincrotron - LNLS, Campinas (Brazil); Jasiulionis, M.G. [Escola Paulista de Medicina - UNIFESP, Dept. de Micro-Imuno-Parasitologia, Sao Paulo (Brazil); Costa-Neto, C.M. [Faculdade de Medicina de Ribeirao Preto - USP, Dept. de Bioquimica e Imunologia, Ribeirao Preto (Brazil)

2005-02-15

Synthesis, characterization, and biological activity of a new water-soluble Pd(II)-deoxyalliin (S-allyl-L-cysteine) complex are described in this article. Elemental and thermal analysis for the complex are consistent with the formula [Pd(C{sub 6}H{sub 10}NO{sub 2}S){sub 2}]. {sup 13}C NMR, {sup 1}H NMR, and IR spectroscopy show coordination of the ligand to Pd(II) through S and N atoms in a square planar geometry. Final residue of the thermal treatment was identified as a mixture of PdO and metallic Pd. Antiproliferative assays using aqueous solutions of the complex against HeLa and TM5 tumor cells showed a pronounced activity of the complex even at low concentrations. After incubation for 24 h, the complex induced cytotoxic effect over HeLa cells when used at concentrations higher than 0.40 mmol/L. At lower concentrations, the complex was nontoxic, indicating its action is probably due to cell cycle arrest, rather than cell death. In agreement with these results, the flow cytometric analysis indicated that after incubation for 24 h at low concentrations of the complex cells are arrested in G0/G1. (author)

SYNTHESIS AND CHARACTERIZATION OF NOVEL M(II) (M = Mn(II ...

African Journals Online (AJOL)

The coordination chemistry towards the M(II) metal centre (M = Mn, Ni, Cu or ... On continuing our work in the field of the synthesis of hydrazide ligand and the studies of ... The 1H and 13C NMR spectra of the Schiff base were recorded in CDCl3 on a ..... The octahedral geometry can be supported by the d–d transition bands ...

Chemical and biological characterization of residential oil burner emission. A literature survey

International Nuclear Information System (INIS)

Westerholm, R.; Peterson, A.

1994-02-01

This literature study covers the time period 1980 to 1993 and is concerned with oil burners used for residential heating with a nominal heating power of less than 20 kW, which are normally used in one-family houses. Emission samples from domestic heaters using organic fuels consists of a very complex matrix of pollutants ranging from aggregate states solid to gaseous. Biological effects elicited by exhaust emissions have been detected and determined. It has been shown for diesel vehicles that selection of fuel properties has an impact on combustion reaction paths which results in different exhaust chemical compositions. It was also determined that diesel fuel properties have an impact on the biological activity of diesel exhaust emissions, which is to be expected from their chemical characterization. As a result of this, Sweden has an environmental classification of diesel fuels which has been in force since 1991. Analogously, the Swedish Environmental Protection Agency has asked whether detrimental environmental and health effects from residential heating can be reduced by selection of fuel properties, and if so by how much? In addition, which properties are most important to control in a future environmental classification of heating oils? As a first step in this process, a literature survey was performed. Major topics were: Sampling technology, chemical composition, biological activity, and risk assessment of emissions. 33 refs, 11 tabs

Antioxidant Activity of a Geopropolis from Northeast Brazil: Chemical Characterization and Likely Botanical Origin

OpenAIRE

Ferreira, Joselena M.; Fernandes-Silva, Caroline C.; Salatino, Antonio; Message, Dejair; Negri, Giuseppina

2017-01-01

Geopropolis is a product containing wax, plant resin, and soil particles. It is elaborated by stingless bees of tribe Meliponini. Methanol extracts of sample of geopropolis produced by Scaptotrigona postica (“mandaguari”) in the state of Rio Grande do Norte (RN, northeast Brazil) were analyzed for the determination of standard parameters (total phenols, total flavonoids, and radical scavenging activity) and chemical characterization by HPLC-DAD-MS/MS analysis. The sample analyzed has high con...

Mesoporous silica nanoparticles supported copper(II) and nickel(II) Schiff base complexes: Synthesis, characterization, antibacterial activity and enzyme immobilization

Science.gov (United States)

Tahmasbi, Leila; Sedaghat, Tahereh; Motamedi, Hossein; Kooti, Mohammad

2018-02-01

Mesoporous silica nanoparticles (MSNs) were prepared by sol-gel method and functionalized with 3-aminopropyltriethoxysilane. Schiff base grafted mesoporous silica nanoparticle was synthesized by the condensation of 2-hydroxy-3-methoxybenzaldehyde and amine-functionalized MSNs. The latter material was then treated with Cu(II) and Ni(II) salts separately to obtain copper and nickel complexes anchored mesoporous composites. The newly prepared hybrid organic-inorganic nanocomposites have been characterized by several techniques such as FT-IR, LA-XRD, FE-SEM, TEM, EDS, BET and TGA. The results showed all samples have MCM-41 type ordered mesoporous structure and functionalization occurs mainly inside the mesopore channel. The presence of all elements in synthesized nanocomposites and the coordination of Schiff base via imine nitrogen and phenolate oxygen were confirmed. MSNs and all functionalized MSNs have uniform spherical nanoparticles with a mean diameter less than 100 nm. The as-synthesized mesoporous nanocomposites were investigated for antibacterial activity against Gram-positive (B. subtilis and S. aureus) and Gram-negative (E. coli and P. aeruginosa) bacteria, as carrier for gentamicin and also for immobilization of DNase, coagulase and amylase enzymes. MSN-SB-Ni indicated bacteriocidal effect against S.aureus and all compounds were found to be good carrier for gentamicin. Results of enzyme immobilization for DNase and coagulase and α-amylase revealed that supported metal complexes efficiently immobilized enzymes.

Supercritical Production of Nanoparticles - Part I: The SSEC Process - Part II: Characterization of Nanopartic

DEFF Research Database (Denmark)

Jensen, Henrik

with the crystallite size. Therefore special interest is being devoted to investigating these changes by developing new synthesis and characterizing methods. Wet chemical and gas phase syntheses are among the number of synthesis techniques that have been developed for nanoparticle formation. The sol-gel technique...... is the most broadly applied wet chemical process and it can be used for the production of nanosized materials in the formof particles or coatings for a wide range of materials. However, conventional sol-gel techniques have a number of drawbacks. The process maintains long reaction times and requires post....... The work presented in this thesis addresses the problems related to the conventional sol-gel techniques by using supercritical CO2 as the reaction media. Supercritical fluids exhibit gas like mass transfer properties and liquid like densities which are both particularly attractive to the sol-gel process...

Preparation and Characterization of Chemical Plugs Based on Selected Hanford Waste Simulants

International Nuclear Information System (INIS)

Mattigod, Shas V.; Wellman, Dawn M.; Parker, Kent E.; Cordova, Elsa A.; Gunderson, Katie M.; Baum, Steven R.; Crum, Jarrod V.; Poloski, Adam P.

2008-01-01

This report presents the results of preparation and characterization of chemical plugs based on selected Hanford Site waste simulants. Included are the results of chemical plug bench testing conducted in support of the M1/M6 Flow Loop Chemical Plugging/Unplugging Test (TP-RPP-WTP-495 Rev A). These results support the proposed plug simulants for the chemical plugging/ unplugging tests. Based on the available simulant data, a set of simulants was identified that would likely result in chemical plugs. The three types of chemical plugs that were generated and tested in this task consisted of: 1. Aluminum hydroxide (NAH), 2. Sodium aluminosilicate (NAS), and 3. Sodium aluminum phosphate (NAP). While both solvents, namely 2 molar (2 M) nitric acid (HNO3) and 2 M sodium hydroxide (NaOH) at 60 C, used in these tests were effective in dissolving the chemical plugs, the 2 M nitric acid was significantly more effective in dissolving the NAH and NAS plugs. The caustic was only slightly more effecting at dissolving the NAP plug. In the bench-scale dissolution tests, hot (60 C) 2 M nitric acid was the most effective solvent in that it completely dissolved both NAH and NAS chemical plugs much faster (1.5 - 2 x) than 2 M sodium hydroxide. So unless there are operational benefits for the use of caustic verses nitric acid, 2 M nitric acid heated to 60 C should be the solvent of choice for dissolving these chemical plugs. Flow-loop testing was planned to identify a combination of parameters such as pressure, flush solution, composition, and temperature that would effectively dissolve and flush each type of chemical plug from preformed chemical plugs in 3-inch-diameter and 4-feet-long pipe sections. However, based on a review of the results of the bench-top tests and technical discussions, the Waste Treatment Plant (WTP) Research and Technology (R and T), Engineering and Mechanical Systems (EMS), and Operations concluded that flow-loop testing of the chemically plugged pipe sections

Preparation and characterization of trihydroxamic acid functionalized carbon materials for the removal of Cu(II) ions from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Godino-Salido, M. Luz, E-mail: mlgodino@ujaen.es [Departamento de Química Inorgánica y Orgánica, Facultad de Ciencias Experimentales, Universidad de Jaén, 23071, Jaén (Spain); Santiago-Medina, Antonio; López-Garzón, Rafael; Gutiérrez-Valero, María D.; Arranz-Mascarós, Paloma; López de la Torre, M. Dolores [Departamento de Química Inorgánica y Orgánica, Facultad de Ciencias Experimentales, Universidad de Jaén, 23071, Jaén (Spain); Domingo-García, María; López-Garzón, F. Javier [Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Granada, 18071, Granada (Spain)

2016-11-30

Highlights: • Hybrid materials made by irreversible adsorption of a deferoxamine derivative on ACs. • The surface trihydroxamate groups are the active functions of the hybrid materials. • Great adsorption capacity for Cu(II) of novel trihydroxamic acid functionalized ACs. • Desorption of Cu(II) from the loaded hybrid materials regenerates the parent hybrids. - Abstract: The main objective of this study is to prepare and characterize two functionalizated carbon materials with enhanced adsorptive properties for Cu(II). Thus, two novel hybrid materials have been prepared by a non-covalent functionalization method based on the adsorption of a pyrimidine-desferrioxamine-B conjugate compound (H{sub 4}L) on two activated carbons, ACs (labelled Merck and F). The adsorption of H{sub 4}L on the ACs is pH-dependent and highly irreversible. This is due to strong π-π interactions between the arene centers of the ACs and the pyrimidine moiety of H{sub 4}L. The textural characterization of the AC/H{sub 4}L hybrids shows large decreases of their surface areas. Thus the values of Merck and F are 1031 and 1426 m{sup 2}/g respectively, while these of Merck/H{sub 4}L and F/H{sub 4}L hybrids are 200 and 322 m{sup 2}/g. An important decrease in the micropore volumes is also found, due to the blockage of narrow porosity produced by the adsorption of H{sub 4}L molecules. The ACs/H{sub 4}L hybrids show larger adsorption capacities for Cu(II) (0.105(4) and 0.13(2) mmol/g, at pH 2.0, and 0.20(3) and 0.242(9) mmol/g, at pH 5.5, for Merck/H{sub 4}L and F/H{sub 4}L, respectively) than those of the ACs (0.024(6) and 0.096(9) mmol/g, at pH 2.0, and 0.10(2) and 0.177(8) mmol/g, at pH 5.5, for Merck and F respectively), which is explained on the basis of the complexing ability of the trihydroxamic acid functions. The desorption of Cu(II) from the ACs/H{sub 4}L/Cu(II) materials in acid solution allows the regeneration of most active sites (78.5% in the case of Merck/H{sub 4}L/Cu(II) and 83

Synthesis and characterization of Ru(II) complexes with polyfunctional quinazoline-(3H)-4-ones

International Nuclear Information System (INIS)

Prabhakar, B.; Lingaiah, P.; Laxma Reddy, K.

1991-01-01

Few Ru(II) complexes of the type Ru(O-N-O) 2 with tridentate O-N-O donors and of the type RuCl 2 (O-N) 2 with bidentate O-O and O-N donors have been synthesized and characterized on the basis of analytical, conductivity, thermal, magnetic, IR, electronic and PMR spectral data. The IR and PMR spectral data of the metal complexes indicate that the lignads like 2-methyl/phenyl-3-(2'-hydroxybenzalamino) quinazoline-(3H)-4-one(MHBQ/PHBQ) act as uninegative tridentate, 2-methyl/phenyl-3-(carboxymethyl) quinazoline(3H)-4-one (MCMQ/PCMQ) as uninegative bidentate and 2-methyl/phenyl-3-(furfuralamino) quinazoline-(3H)-4-one (MFQ/PFQ), 2-methyl/phenyl-3-(acetamino) quinazoline-(3H)-4-one (MAQ/PAQ), 2-methyl/phenyl3-(uramino)quinazoline-(3H)-4-one (MUQ/PUQ) and 2-methyl/phenyl-3-thiouramino)quinazoline-(3H)-4-one-(MTUQ/PTUQ) as neutral bidentate ligands. The electronic spectral data of the complexes indicate that the arrangement around Ru(II) is octahedral. (author). 25 refs., 2 tabs

Characterization of class II alpha genes and DLA-D region allelic associations in the dog.

Science.gov (United States)

Sarmiento, U M; Storb, R F

1988-10-01

Human major histocompatibility complex (HLA) cDNA probes were used to analyze the restriction fragment length polymorphism (RFLP) of the alpha genes of the DLA-D region in dogs. Genomic DNA from peripheral blood leucocytes of 23 unrelated DLA-D homozygous dogs representing nine DLA-D types (defined by mixed leucocyte reaction) was digested with restriction enzymes (BamHI, EcoRI, Hind III, Pvu II, Taq I, Rsa I, Msp I, Pst I and Bgl II), separated by agarose gel electrophoresis and transferred onto Biotrace membrane. The Southern blots were successively hybridized with radiolabelled HLA cDNA probes corresponding to DQ, DP, DZ and DR alpha genes. Clear evidence was obtained for the canine homologues of DQ and DR alpha genes with simple bi- or tri-allelic polymorphism respectively. Evidence for a single, nonpolymorphic DP alpha gene was also obtained. However, the presence of a DZ alpha gene could not be clearly demonstrated in canine genomic DNA. This report extends our previous RFLP analysis documenting polymorphism of DLA class II beta genes in the same panel of homozygous typing cell dogs, and provides the basis for DLA-D genotyping at a population level. This study also characterizes the RFLP-defined preferential allelic associations across the DLA-D region in nine different homozygous typing cell specificities.

Secretome-based Manganese(II) Oxidation by Filamentous Ascomycete Fungi

Science.gov (United States)

Zeiner, C. A.; Purvine, S.; Zink, E.; Paša-Tolić, L.; Chaput, D.; Wu, S.; Santelli, C. M.; Hansel, C. M.

2017-12-01

Manganese (Mn) oxides are among the strongest oxidants in the environment, and Mn(II) oxidation to Mn(III/IV) (hydr)oxides includes both abiotic and microbially-mediated processes. While white-rot Basidiomycete fungi oxidize Mn(II) using laccases and Mn peroxidases in association with lignocellulose degradation, the mechanisms by which filamentous Ascomycete fungi oxidize Mn(II) and a physiological role for Mn(II) oxidation in these organisms remain poorly understood. Through a combination of chemical and in-gel assays, bulk mass spectrometry, and iTRAQ proteomics, we demonstrate enzymatic Mn(II) oxidation in the secretomes of three phylogenetically diverse Ascomycetes that were isolated from Mn-laden sediments. Candidate Mn(II)-oxidizing enzymes were species-specific and included bilirubin oxidase and tyrosinase in Stagonospora sp. SRC1lsM3a, GMC oxidoreductase in Paraconiothyrium sporulosum AP3s5-JAC2a, and FAD-binding oxidoreductases in Pyrenochaeta sp. DS3sAY3a. These findings were supported by full proteomic characterization of the secretomes, which revealed a lack of Mn, lignin, and versatile peroxidases in these Ascomycetes but a substantially higher proportion of LMCOs and GMC oxidoreductases compared to wood-rot Basidiomycetes. We also identified the potential for indirect enzymatic Mn(II) oxidation by hydroxyl radical, as the secretomes were rich in diverse lignocellulose-degrading enzymes that could participate in Fenton chemistry. A link between Mn(II) oxidation and carbon oxidation analogous to white-rot Basidiomycetes remains unknown in these Ascomycetes. Interestingly, growth rates on rich medium were unaffected by the presence of Mn(II), and the production of Mn(II)-oxidizing proteins in the secretome was constitutive and not inducible by Mn(II). Thus, no physiological benefit of Mn(II) oxidation in these Ascomycetes has yet been identified, and Mn(II) oxidation appears to be a side reaction. Future work will explore the lignin-degrading capacity of

Synthesis, thermogravimetric, spectroscopic and theoretical characterization of copper(II) complex with 4-chloro-2-nitrobenzenosulfonamide

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Camí, G.; Chacón Villalba, E.; Di Santi, Y.; Colinas, P.; Estiu, G.; Soria, D. B.

2011-05-01

4-Chloro-2-nitrobenzenesulfonamide (ClNbsa) was purified and characterized. A new copper(II) complex, [Cu(ClNbsa) 2(NH 3) 2], has been prepared using the sulfonamide as ligand. The thermal behavior of both, the ligand and the Cu(II) complex, was investigated by thermogravimetric analyses (TG) and differential thermal analysis (DT), and the electronic characteristics analyzed by UV-VIS, FTIR, Raman and 1H NMR spectroscopies. The experimental IR, Raman and UV-VIS spectra have been assigned on the basis of DFT calculations at the B3LYP level of theory using the standard (6-31 + G ∗∗) basis set. The geometries have been fully optimized in vacuum and in modeled dimethylsulfoxide (DMSO) solvent, using for the latter a continuum solvation model that reproduced the experimental conditions of the UV-VIS spectroscopy. The theoretical results converged to stable conformations for the free sulfonamide and for the complex, suggesting for the latter a distorted square planar geometry in both environments.

New bioactive silver(I) complexes: Synthesis, characterization, anticancer, antibacterial and anticarbonic anhydrase II activities

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Ozdemir, Ummuhan O.; Ozbek, Neslihan; Genc, Zuhal Karagoz; İlbiz, Firdevs; Gündüzalp, Ayla Balaban

2017-06-01

Silver(I) complexes of alkyl sulfonic acide hydrazides were newly synthesized as homologous series. Methanesulfonic acide hydrazide (L1), ethanesulfonic acide hydrazide (L2), propanesulfonic acide hydrazide (L3) and butanesulfonic acide hydrazide (L4) were used for complexation with Ag(I) ions. The silver complexes obtained in the mol ratio of 1:2 have the structural formula as Ag(L1)2NO3 (I), Ag(L2)2NO3 (II), Ag(L3)2NO3(III), (Ag(L4)2NO3 (IV). The Ag(I) complexes exhibit distorted linear two-fold coordination in [AgL2]+ cations with uncoordinated nitrates. Ligands are chelated with silver(I) ions through unsubstituted primary nitrogen in hydrazide group. Ag(I) complexes were characterized by using elemental analysis, spectroscopic methods (FT-IR, LC-MS), magnetic susceptibility and conductivity measurements. Silver(I) complexes were optimized using PBEPBE/LanL2DZ/DEF2SV basic set performed by DFT method with the Gaussian 09 program package. The geometrical parameters, frontier molecular orbitals (HOMOs and LUMOs) and molecular electrostatic potential (MEP) mapped surfaces of the optimized geometries were also determined by this quantum set. The anticancer activities of silver(I) complexes on MCF-7 human breast cancer cell line were investigated by comparing IC50 values. The antibacterial activities of complexes were studied against Gram positive bacteria; S. aureus ATCC 6538, B. subtilis ATCC 6633, B. cereus NRRL-B-3711, E. faecalis ATCC 29212 and Gram negative bacteria; E. coli ATCC 11230, P. aeruginosa ATCC 15442, K. pneumonia ATCC 70063 by using disc diffusion method. The inhibition activities of Ag(I) complexes on carbonic anhydrase II enzyme (hCA II) were also investigated by comparing IC50 and Ki values. The biological activity screening shows that Ag(I) complex of butanesulfonicacidehydrazide (IV) has the highest activity against tested breast cancer cell lines MCF-7, Gram positive/Gram negative bacteria and carbonic anhydrase II (hCA II) isoenzyme.

Chemically modified activated carbon with 1-acylthiosemicarbazide for selective solid-phase extraction and preconcentration of trace Cu(II), Hg(II) and Pb(II) from water samples.

Science.gov (United States)

Gao, Ru; Hu, Zheng; Chang, Xijun; He, Qun; Zhang, Lijun; Tu, Zhifeng; Shi, Jianping

2009-12-15

A new sorbent 1-acylthiosemicarbazide-modified activated carbon (AC-ATSC) was prepared as a solid-phase extractant and applied for removing of trace Cu(II), Hg(II) and Pb(II) prior to their determination by inductively coupled plasma optical emission spectrometry (ICP-OES). The separation/preconcentration conditions of analytes were investigated, including effects of pH, the shaking time, the sample flow rate and volume, the elution condition and the interfering ions. At pH 3, the maximum static adsorption capacity of Cu(II), Hg(II) and Pb(II) onto the AC-ATSC were 78.20, 67.80 and 48.56 mg g(-1), respectively. The adsorbed metal ions were quantitatively eluted by 3.0 mL of 2% CS(NH2)2 and 2.0 mol L(-1) HCl solution. Common coexisting ions did not interfere with the separation. According to the definition of IUPAC, the detection limits (3sigma) of this method for Cu(II), Hg(II) and Pb(II) were 0.20, 0.12 and 0.45 ng mL(-1), respectively. The relative standard deviation under optimum conditions is less than 4.0% (n=8). The prepared sorbent was applied for the preconcentration of trace Cu(II), Hg(II) and Pb(II) in certified and water samples with satisfactory results.

Assessment of analytical techniques for characterization of crystalline clopidogrel forms in patent applications

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Luiz Marcelo Lira

2014-04-01

Full Text Available The aim of this study was to evaluate two important aspects of patent applications of crystalline forms of drugs: (i the physicochemical characterization of the crystalline forms; and (ii the procedure for preparing crystals of the blockbuster drug clopidogrel. To this end, searches were conducted using online patent databases. The results showed that: (i the majority of patent applications for clopidogrel crystalline forms failed to comply with proposed Brazilian Patent Office guidelines. This was primarily due to insufficient number of analytical techniques evaluating the crystalline phase. In addition, some patent applications lacked assessment of chemical/crystallography purity; (ii use of more than two analytical techniques is important; and (iii the crystallization procedure for clopidogrel bisulfate form II were irreproducible based on the procedure given in the patent application.

Two three-dimensional coordination polymers of lead(II) with iminodiacetate and naphthalene-dicarboxylate anions: Synthesis, characterization and luminescence behavior

Energy Technology Data Exchange (ETDEWEB)

Hazari, Debdoot; Jana, Swapan Kumar [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721 102, West Bengal (India); Fleck, Michel [Institute of Mineralogy and Crystallography, University of Vienna, Geozentrum, Althanstr. 9, A-1090 Vienna (Austria); Zangrando, Ennio [Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste (Italy); Dalai, Sudipta, E-mail: sudipta@mail.vidyasagar.ac.in [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721 102, West Bengal (India)

2014-11-15

Two lead(II) compounds [Pb{sub 3}(idiac){sub 3}(phen){sub 2}(H{sub 2}O)]·2(H{sub 2}O) (1) and [Pb(ndc)]{sub n} (2), where H{sub 2}idiac=iminodiacetic acid, phen=1,10-phenanthroline and H{sub 2}ndc=naphthalene-2,6-dicarboxylic acid, have been synthesized and structurally characterized. Single crystal X-ray diffraction analysis showed that compound 1 is a discrete trinuclear complex (of two-fold symmetry) which evolves to a supramolecular 3D network via π–π interactions, while in compound 2 the naphthalene dicarboxylate anion act as a linker to form a three dimensional architecture, where the anion adopts a bis-(bidentate bridging) coordination mode connecting four Pb(II) centers. The photoluminescence property of the two complexes has been studied. - graphical abstract: Two new topologically different 1D coordination polymers formed by Pb{sub 4} clusters have been synthesized and characterized by x-ray analysis. The luminescence and thermal properties have been studied. - Highlights: • 1 is a trinuclear complex of Pb(II) growing to 3D network via weak interactions. • In 1, layers of (4,4) rhomboidal topology are identified. • In 2, the ndc anion adopts interesting bis-(bidentate bridging) coordination. • In 2, network is reinforced by C–H…π-ring interactions between the ndc rings.

Preparation and use of chemically modified MCM-41 and silica gel as selective adsorbents for Hg(II) ions

International Nuclear Information System (INIS)

Puanngam, Mahitti; Unob, Fuangfa

2008-01-01

Adsorbents for Hg(II) ion extraction were prepared using amorphous silica gel and ordered MCM-41. Grafting with 2-(3-(2-aminoethylthio)propylthio)ethanamine was used to functionalize the silica. The functionalized adsorbents were characterized by nitrogen adsorption, X-ray diffraction, 13 C MAS NMR spectroscopy and thermogravimetric analysis. The adsorption properties of the modified silica gel and MCM-41 were compared using batch method. The effect of pH, stirring time, ionic strength and foreign ions were studied. The extraction of Hg(II) ions occurred rapidly with the modified MCM-41 and the optimal pH range for the extraction by the modified materials was pH 4-7. Foreign ions, especially Cl - had some effect on the extraction efficiency of the modified silica gel and the modified MCM-41. The adsorption behavior of both adsorbents could be described by a Langmuir model at 298 K, and the maximum adsorption capacity of the modified silica gel and MCM-41 at pH 3 was 0.79 and 0.70 mmol g -1 , respectively. The modified MCM-41 showed a larger Langmuir constant than that of the modified silica gel, indicating a better ability for Hg(II) ion adsorption. The results indicate that the structure of the materials affects the adsorption behavior. These materials show a potential for the application as effective and selective adsorbents for Hg(II) removal from water

Chemical Characterization of Lipophilic Constituents in the Skin of Migratory Adult Sea Lamprey from the Great Lakes Region.

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Amila A Dissanayake

Full Text Available The sea lamprey (Petromzons marinus is an invasive ectoparasite of large-bodied fishes that adversely affects the fishing industry and ecology of the Laurentian Great Lakes. Lipid content in the whole sea lamprey and muscles, liver and kidney of metamorphosing larval stages has been reported. Similarly, the fatty acid profile of the rope tissues of sexually-mature male sea lampreys has also been reported. The average body weight of a sub-adult migratory sea lamprey is 250 g, which includes 14.4% skin (36 g. Our preliminary extraction data of an adult sea lamprey skin revealed that it contained approximately 8.5% of lipophilic compounds. Lamprey skin is home to a naturally aversive compound (an alarm cue that is being developed into a repellent for use in pest management. As part of an ongoing investigation to identify the chemical structure of the sea lamprey alarm cue, we extracted the skin with water and methanol, respectively. The methanolic extract (1.55% contained exclusively lipophilic compounds and did not include the alarm cue. We chemically characterized all compounds present in the methanolic extract as cholesterol esters (CE, tri- and di-glycerides (TG and DG, cholesterol, free fatty acids (FFA and minor amounts of plasticizers. The free fatty acids fraction was composed of saturated (41.8%, monounsaturated (40.7% and polyunsaturated (17.4% fatty acids, respectively. The plasticizers characterized were phthalate and benzoate and found to be 0.95 mg and 2.54 mg, respectively, per adult sea lamprey skin. This is the first report of the chemical characterization of all the lipophilic constituents in the skin of sub-adult migratory sea lamprey. The CEs isolated and characterized from sea lamprey skin are also for the first time.

Synthesis, characterization and catalytic oxidation properties of multi-wall carbon nanotubes with a covalently attached copper(II) salen complex

Science.gov (United States)

Salavati-Niasari, Masoud; Bazarganipour, Mehdi

2009-06-01

Hydroxyl functionalized copper(II) Schiff-base, N,N'-bis(4-hydroxysalicylidene)-ethylene-1,2-diaminecopper(II), [Cu((OH) 2-salen)], has been covalently anchored on modified MWCNTs. The new modified MWCNTs ([Cu((OH) 2-salen)]-MWCNTs) have been characterized by TEM, thermal analysis, XRD, XPS, UV-vis, DRS, FT-IR spectroscopy and elemental analysis. The modified copper(II) MWCNTs solid was used to affect the catalytic oxidation of ethylbenzene with tert-butylhydroperoxide as the oxidant at 333 K. The system is truly heterogeneous (no leaching observed) and reusable (no decrease in activity) in three consecutive runs. Acetophenone was the major product though small amounts of o- and p-hydroxyacetophenones were also formed revealing that C-H bond activation takes place both at benzylic and aromatic ring carbon atoms. Ring hydroxylation was more over the "neat" complexes than over the encapsulated complexes.

Adhesion of nitrile rubber to UV-assisted surface chemical modified PET fabric, part II: Interfacial characterization of MDI grafted PET

Science.gov (United States)

Razavizadeh, Mahmoud; Jamshidi, Masoud

2016-08-01

Fiber to rubber adhesion is an important subject in rubber industry. It is well known that surface treatment (i.e. physical, mechanical and chemical) is an effective method to improve interfacial bonding of fibers and/or fabrics to rubbers. UV irradiation is an effective method which has been used to increase fabric-rubber interfacial interactions. In this research UV assisted chemical modification of PET fabrics was used to increase PET to nitrile rubber (NBR) adhesion. Nitrile rubber is a perfect selection as fuel and oil resistant rubber. However it has weak bonding to PET fabric. For this purpose PET fabric was carboxylated under UV irradiation and then methylenediphenyl diisocyanate (MDI) was grafted on carboxylated PET. The chemical composition of the fabric before and after surface treatment was investigated by X-ray photoelectron spectroscopy (XPS). The sectional morphology of the experimental PET fibers and the interface between rubber compound and PET fabric was studied using scanning electron microscope (SEM). The morphology and structure of the product were analyzed by an energy dispersive X-ray spectrometer (EDX). FTIR-ATR and H NMR analysis were used to assess surface modifications on the PET irradiated fabrics.

Removal of Co(II) from aqueous solution by using hydroxyapatite

International Nuclear Information System (INIS)

Yan Huang; Liang Chen; Hualin Wang

2012-01-01

Herein, hydroxyapatite (HAP) was prepared by aqueous precipitation technique and was characterized by using FT-IR and XRD to determine its chemical functional groups and micro-structure. The removal of cobalt from aqueous solution to HAP was studied by batch technique as a function of various environmental parameters such as contact time, pH, ionic strength, foreign ions, fulvic acid (FA), and temperature under ambient conditions. The results indicated that the sorption of Co(II) on HAP was strongly dependent on pH and ionic strength. The presence of FA enhanced the sorption of Co(II) on HAP at low pH, whereas reduced Co(II) sorption on HAP at high pH. The Langmuir, Freundlich and D-R models were used to simulate the sorption isotherms at three different temperatures of 303.15, 323.15 and 343.15 K. The thermodynamic parameters (ΔHdeg, ΔSdeg and ΔGdeg) calculated from the temperature dependent sorption isotherms indicated that the sorption process of Co(II) on HAP was spontaneous and endothermic. The sorption of Co(II) was dominated by outer-sphere surface complexation and ion exchange at low pH, whereas inner-sphere surface complexation or surface precipitation was the main sorption mechanism at high pH values. The results suggest that the HAP is a suitable material in the preconcentration and solidification of Co(II) from large volumes of aqueous solutions. (author)

Bio-compatibility, surface and chemical characterization of glow discharge plasma modified ZnO nanocomposite polycarbonate

Energy Technology Data Exchange (ETDEWEB)

Bagra, Bhawna, E-mail: bhawnacct@gmail.com; Pimpliskar, Prashant, E-mail: bhawnacct@gmail.com [Centre for Converging Technologies, University of Rajasthan, Jaipur-302004 (India); Agrawal, Narendra Kumar [Department of Physics, Malaviya National Institute of Technology, Jaipur-302004 (India)

2014-04-24

Bio compatibility is an important issue for synthesis of biomedical devices, which can be tested by bioadoptability and creations of active site to enhance the bacterial/cell growth in biomedical devices. Hence a systematic study was carried out to characterize the effects of Nitrogen ion plasma for creations of active site in nano composite polymer membrane. Nano particles of ZnO are synthesized by chemical root, using solution casting nano composite polymeric membranes were prepared and treated with Nitrogen ion plasma. These membranes were characterized by different technique such as optical microscopy, SEM- Scanning electron microscope, optical transmittance, Fourier transform infrared spectroscopy. Then biocompatibility for membranes was tested by testing of bio-adoptability of membrane.

Synthesis and characterization of a new complex binuclear of binuclear of Pd(II) containing the antibiotic oxy tetracycline; Sintese e caracterizacao de um novo complexo bimetalico de Pd(II) contendo o antibiotico oxitetraciclina

Energy Technology Data Exchange (ETDEWEB)

Guerra, Wendell [Universidade Federal de Uberlandia (UFU), MG (Brazil). Inst. de Quimica; Fontes, Ana Paula Soares [Universidade Federal de Juiz de Fora (UFJF), MG (Brazil). Dept. de Quimica; Pereira-Maia, Elene Cristina [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Quimica

2010-07-01

This article reports the synthesis and characterization of a new binuclear complex of palladium (II) containing the antibiotic oxytetracycline. The complex was characterized by the usual techniques of analysis. With respect to sites of coordination, the IR spectral data suggests the involvement the oxygen of the amide group and the oxygen of the neighbor hydroxyl group at ring A and to the carbonyl oxygen at C11 and the hydroxyl group at C12. (author)

Synthesis, characterization and antibacterial activity of some novel symmetrical n/sup 3/, n/sup 3/-bis(disubstituted)isophthalyl-bis(thioureas) and their Cu(II) and Ni(II) complexes

International Nuclear Information System (INIS)

Jamil, M.; Zubair, M.; Rasool, N.; Bukhari, I.H.; Farid, M.A.; Altaf, A.A.

2013-01-01

A series of some novel N/sup 3/,N/sup 3/-bis(disubstituted) isophthalyl-bis(thioureas) compounds with general formula (C/sub 6/H/sub 4/(CONHCSNHR)/sub 2/), where R = 4-C/sub 6/H/sub 4/COOH(L/sub 1/), 3-NO/sub 2/C/sub 6/H/sub 4/(L/sub 2/), 2-NO/sub 2/C/sub 6/H/sub 4/(L/sub 3/), 4-CH/sub 3/C/sub 6/H/sub 4/(L/sub 4/), 2-CH/sub 3/C/sub 6/H/sub 4/(L/sub 5/), 3-CH/sub 3/C/sub 6/H/sub 4/(L/sub 6/) and their Cu(II) and Ni(II) complexes have been synthesized. (L/sub 1/-L/sub 6/) have been prepared in good to excellent yields by reaction of isophthaloyl isothiocyanate with primary amines using dry acetone as solvent. The stoichiometric reaction between the metal (II) ion and synthesized ligands in molar ratio of M : L (1 : 1) resulted in the formation of the metal complexes of type (ML)2 (where M = Cu(II) and Ni(II). These compounds (L/sub 1/-L/sub 6/) and their metal (II) complexes have been characterized by elemental analyses, Infrared spectroscopy, /sup 1/H-NMR spectroscopy, magnetic moments, and electronic spectral measurements. These compounds (L/sub 1/-L/sub 6/) and their metal (II) complexes were also screened for their antibacterial activity against bacterial species, Bacillus subtilis, Staphylococcus aureus, Escherichia coli, Shigella sonnei, Salmonella typhi and Pseudomonas aeroginosa. Some compounds showed potential activity against a number of bacterial strains. The results of these studies also show the metal (II) complexes to be having stronger antibacterial activityl against one or more species as compared to the uncomplexed ligands. It was concluded that these compounds may be the potential source of active antibacterial agents. (author)

Physical-Chemical Characterization and Formulation Considerations for Solid Lipid Nanoparticles.

Science.gov (United States)

Chauhan, Harsh; Mohapatra, Sarat; Munt, Daniel J; Chandratre, Shantanu; Dash, Alekha

2016-06-01

Pure glyceryl mono-oleate (GMO) (lipid) and different batches of GMO commonly used for the preparation of GMO-chitosan nanoparticles were characterized by modulated differential scanning calorimetry (MDSC), cryo-microscopy, and cryo-X-ray powder diffraction techniques. GMO-chitosan nanoparticles containing poloxamer 407 as a stabilizer in the absence and presence of polymers as crystallization inhibitors were prepared by ultrasonication. The effect of polymers (polyvinyl pyrrolidone (PVP), Eudragits, hydroxyl propyl methyl cellulose (HPMC), polyethylene glycol (PEG)), surfactants (poloxamer), and oils (mineral oil and olive oil) on the crystallization of GMO was investigated. GMO showed an exothermic peak at around -10°C while cooling and another exothermic peak at around -12°C while heating. It was followed by two endothermic peaks between 15 and 30 C, indicative of GMO melting. The results are corroborated by cryo-microscopy and cryo-X-ray. Significant differences in exothermic and endothermic transition were observed between different grades of GMO and pure GMO. GMO-chitosan nanoparticles resulted in a significant increase in particle size after lyophilization. MDSC confirmed that nanoparticles showed similar exothermic crystallization behavior of lipid GMO. MDSC experiments showed that PVP inhibits GMO crystallization and addition of PVP showed no significant increase in particle size of solid lipid nanoparticle (SLN) during lyophilization. The research highlights the importance of extensive physical-chemical characterization for successful formulation of SLN.

Antibacterial Co(II, Ni(II, Cu(II and Zn(II complexes with biacetyl-derived Schiff bases

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MUHAMMAD IMRAN

2010-08-01

Full Text Available The condensation reactions of biacetyl with ortho-hydroxyaniline and 2-aminobenzoic acid to form bidendate NO donor Schiff bases were studied. The prepared Schiff base ligands were further utilized for the formation of metal chelates having the general formula [ML2(H2O2] where M = Co(II, Ni(II, Cu(II and Zn(II and L = HL1 and HL2. These new compounds were characterized by conductance measurements, magnetic susceptibility measurements, elemental analysis, and IR, 1H-NMR, 13C-NMR and electronic spectroscopy. Both Schiff base ligands were found to have a mono-anionic bidentate nature and octahedral geometry was assigned to all metal complexes. All the complexes contained coordinated water which was lost at 141–160 °C. These compounds were also screened for their in vitro antibacterial activity against four bacterial species, namely: Escherichia coli, Staphylococcus aureus, Salmonella typhi and Bacillus subtilis. The metal complexes were found to have greater antibacterial activity than the uncomplexed Schiff base ligands.