Geometric and electronic structures of boron(III)-cored dyes tailored by incorporation of heteroatoms into ligands.

Science.gov (United States)

Sun, Lin; Zhang, Fan; Wang, Xinyang; Qiu, Feng; Xue, Minzhao; Tregnago, Giulia; Cacialli, Franco; Osella, Silvio; Beljonne, David; Feng, Xinliang

2015-03-01

Complexation of a boron atom with a series of bidentate heterocyclic ligands successfully gives rise to corresponding BF2-chelated heteroarenes, which could be considered as novel boron(III)-cored dyes. These dye molecules exhibit planar structures and expanded π-conjugated backbones due to the locked conformation with a boron center. The geometric and electronic structures of these BF2 complexes can be tailored by embedding heteroatoms in the unique modes to form positional isomer and isoelectronic structures. The structure-property relationship is further elucidated by studying the photophysical properties, electrochemical behavior and quantum-chemical calculations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and photo-physical properties of fluorescent 1,3,5-triazine styryl derivatives

Directory of Open Access Journals (Sweden)

Padalkar Vikas S

2011-12-01

Full Text Available Abstract Background Organic fluorophore contains well-defined D-π-A (Donor-π system-Acceptor push-pull system have wide application in the field of NLO, OLED and high tech application. Electron donor diphenyl, triphenyl and carbazole conjugated with electron acceptor terminal through π-system were reported recently for high-tech applications. N,N-Dialkyl substituted 1,3,5-triazine also acts as donor keeping this idea in mind we developed D-π-A styryl dyes. Results Novel "Y"-shaped acceptor-π-donor-π-acceptor type of compounds were synthesized from 4,4'-((6-(4-(diethylaminophenyl-1,3,5-triazine-2,4diylbis(oxy dibenzaldehyde (DIPOD as electron donors and different active methylene compounds as electron acceptors by conventional Knoevenagel condensation reaction. Their photophysical and thermal properties were investigated. Conclusion It was found that the strong electron acceptor-donor chromophoric system of these compounds showed high Stoke's shift and excellent thermal stability. Compounds showed positive solvatofluorism behavior from nonpolar to polar solvent. All compounds have good thermal stability.

High Molar Extinction Coefficient Ru(II-Mixed Ligand Polypyridyl Complexes for Dye Sensitized Solar Cell Application

Directory of Open Access Journals (Sweden)

Malapaka Chandrasekharam

2011-01-01

Full Text Available Two new ruthenium(II mixed ligand terpyridine complexes, “Ru(Htcterpy(NCS(L1 (N(C4H94, mLBD1” and Ru(Htcterpy(NCS(L2(N(C4H94, mLBD2 were synthesized and fully characterized by UV-Vis, emission, cyclic voltammogram, and other spectroscopic means, and the structures of the compounds are confirmed by 1H-NMR, ESI-MASS, and FT-IR spectroscopes. The influence of the substitution of L1 and L2 on solar-to-electrical energy conversion efficiency (η of dye-sensitized solar cells (DSSCs was evaluated relative to reference black dye. The dyes showed molar extinction coefficients of 17600 M−1 cm−1 for mLBD1 and 21300 M−1 cm−1 for mLBD2 both at λ maximum of 512 nm, while black dye has shown 8660 M−1 cm−1 at λ maximum of 615 nm. The monochromatic incident photon-to-collected electron conversion efficiencies of 60.71% and 75.89% were obtained for mLBD1 and mLBD2 dyes, respectively. The energy conversion efficiencies of mLBD1 and mLBD2 dyes are 3.15% (SC=11.86 mA/cm2, OC=613 mV, ff=0.4337 and 3.36% (SC=12.71 mA/cm2, OC=655 mV, ff=0.4042, respectively, measured at the AM1.5G conditions, the reference black dye-sensitized solar cell, fabricated and evaluated under identical conditions exhibited η-value of 2.69% (SC=10.95 mA/cm2, OC=655 mV, ff=0.3750.

The Versatile SALSAC Approach to Heteroleptic Copper(I Dye Assembly in Dye-Sensitized Solar Cells

Directory of Open Access Journals (Sweden)

Frederik J. Malzner

2018-05-01

Full Text Available Surface-bound heteroleptic copper(I dyes [Cu(Lanchor(Lancillary]+ are assembled using the “surfaces-as-ligands, surfaces as complexes” (SALSAC approach by three different procedures. The anchoring and ancillary ligands chosen are ((6,6′-dimethyl-[2,2′-bipyridine]-4,4′-diyl-bis(4,1-phenylenebis(phosphonic acid (3 and 4,4′-bis(4-iodophenyl-6,6′-diphenyl-2,2′-bipyridine (4, respectively. In the first SALSAC procedure, the FTO/TiO2 electrode is functionalized with 3 in the first dye bath, and then undergoes ligand exchange with the homoleptic complex [Cu(42][PF6] to give surface-bound [Cu(3(4]+. In the second method, the FTO/TiO2 electrode functionalized with 3 is immersed in a solution containing a 1:1 mixture of [Cu(MeCN4][PF6] and 4 to give surface-anchored [Cu(3(4]+. In the third procedure, the anchor 3, copper(I ion and ancillary ligand 4 are introduced in a sequential manner. The performances of the DSSCs show a dependence on the dye assembly procedure. The sequential method leads to the best-performing DSSCs with the highest values of JSC (7.85 and 7.73 mA cm−2 for fully masked cells and overall efficiencies (η = 2.81 and 2.71%, representing 41.1 and 39.6% relative to an N719 reference DSSC. Use of the 1:1 mixture of [Cu(MeCN4][PF6] and 4 yields DSSCs with higher VOC values but lower JSC values compared to those assembled using the sequential approach; values of η are 2.27 and 2.29% versus 6.84% for the N719 reference DSSC. The ligand exchange procedure leads to DSSCs that perform relatively poorly. The investigation demonstrates the versatile and powerful nature of SALSAC in preparing dyes for copper-based DSSCs, allowing the photoconversion efficiency of dye to be optimized for a given dye. The SALSAC strategy provides alternative hierarchical strategies where the isolation of the homoleptic [Cu(Lancillary2]+ is difficult or time-consuming; stepwise strategies are more atom-economic than ligand exchange involving the

Agronomic and environmental implications of enhanced s-triazine degradation

Science.gov (United States)

Krutz, L. J.; Dale L. Shaner,; Mark A. Weaver,; Webb, Richard M.; Zablotowicz, Robert M.; Reddy, Krishna N.; Huang, Y.; Thompson, S. J.

2010-01-01

Novel catabolic pathways enabling rapid detoxification of s-triazine herbicides have been elucidated and detected at a growing number of locations. The genes responsible for s-triazine mineralization, i.e. atzABCDEF and trzNDF, occur in at least four bacterial phyla and are implicated in the development of enhanced degradation in agricultural soils from all continents except Antarctica. Enhanced degradation occurs in at least nine crops and six crop rotation systems that rely on s-triazine herbicides for weed control, and, with the exception of acidic soil conditions and s-triazine application frequency, adaptation of the microbial population is independent of soil physiochemical properties and cultural management practices. From an agronomic perspective, residual weed control could be reduced tenfold in s-triazine-adapted relative to non-adapted soils. From an environmental standpoint, the off-site loss of total s-triazine residues could be overestimated 13-fold in adapted soils if altered persistence estimates and metabolic pathways are not reflected in fate and transport models. Empirical models requiring soil pH and s-triazine use history as input parameters predict atrazine persistence more accurately than historical estimates, thereby allowing practitioners to adjust weed control strategies and model input values when warranted. 

Thiocyanate cadmium(II) complexes of 2,4,6-tri(2-pyridyl)-1,3,5-triazine – Synthesis, structure and luminescence properties

International Nuclear Information System (INIS)

Nawrot, I.; Machura, B.; Kruszynski, R.

2014-01-01

Two new thiocyanate cadmium(II) complexes of 2,4,6-tri(2-pyridyl)-1,3,5-triazine were synthesized and characterized. The resulted complexes [Cd(SCN)(NO 3 )(tptz)(H 2 O)] (1) and [Cd(SCN) 2 (tptz)(MeOH)] (2) were studied by IR, UV–vis spectroscopy and single crystal X-ray analysis. The luminescent properties of 1 and 2 were studied in solution and solid state and compared with the free ligand. To get detailed insight into the electronic structure and spectroscopic properties of [Cd(SCN)(NO 3 )(tptz)(H 2 O)] and [Cd(SCN) 2 (tptz)(MeOH)], the density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed. - Highlights: • Two novel thiocyanate cadmium(II) compounds of 2,4,6-tri(2-pyridyl)-1,3,5-triazine were synthesized. • The compounds were identified by IR, UV–vis spectroscopy and X-ray analysis. • The fluorescence properties of the complexes were examined and compared with the free ligand. • The electronic spectra were investigated at the TD-DFT level employing B3LYP/LANL2DZ

High Charge Mobility of a Perylene Bisimide Dye with Hydrogen-bond Formation Group

Institute of Scientific and Technical Information of China (English)

无

2005-01-01

A perylene bisimide dye covalently bonded with a hydrogen-bond formation group of 1,3, 5-triazine-2, 4-diamine has been synthesized. Its casting films show a charge carrier mobility over 10-3 cm2/Vs, which is in the range of the highest values found for other promising charge transport materials suitable for solution processable technique.

Synthesis of 1,3,5-triazines via Cu(OAc)2-catalyzed aerobic oxidative coupling of alcohols and amidine hydrochlorides.

Science.gov (United States)

You, Qing; Wang, Fei; Wu, Chaoting; Shi, Tianchao; Min, Dewen; Chen, Huajun; Zhang, Wu

2015-06-28

Cu(OAc)2 was found to be an efficient catalyst for dehydrogenative synthesis of 1,3,5-triazine derivatives via oxidative coupling reaction of amidine hydrochlorides and alcohols in air. Both aromatic and aliphatic alcohols can be involved in the reaction and thirty-three products were obtained with good to excellent yields. Moreover, the use of a ligand, strong base and organic oxidant is unnecessary.

Kinetics of the decoloration of reactive dyes over visible light-irradiated TiO2 semiconductor photocatalyst

International Nuclear Information System (INIS)

Chatterjee, Debabrata; Patnam, Vidya Rupini; Sikdar, Anindita; Joshi, Priyanka; Misra, Rohit; Rao, Nageswara N.

2008-01-01

Photocatalytic decoloration kinetics of triazine (Reactive Red 11, Reactive Red 2, and Reactive Orange 84) and vinylsulfone type (Reactive Orange 16 and Reactive Black 5) of reactive dyes have been studied spectrophotometrically by following the decrease in dye concentration with time. At ambient conditions, over 90-95% decoloration of above dyes have been observed upon prolonged illumination (15 h) of the reacting system with a 150 W xenon lamp. It was found that the decoloration reaction followed first-order kinetics. The values of observed rate constants were found to be dependent of the structure of dyes at low dye concentration, but independent at higher concentration. It also reports for the first time the decoloration of two different dyes together in a binary dye mixture using visible light-irradiated TiO 2 photocatalyst. Rate of decoloration of two different dyes together in a binary dye mixture using visible light-irradiated TiO 2 photocatalyst is governed by the adsorptivity of the particular dye onto the surface of the TiO 2 photocatalyst

Triazine herbicides inhibit relaxin signaling and disrupt nitric oxide homeostasis

Energy Technology Data Exchange (ETDEWEB)

Park, Si Eun; Lim, Sa Rang; Choi, Hyung-kyoon; Bae, Jeehyeon, E-mail: jeehyeon@cau.ac.kr

2016-09-15

Triazines are herbicides that are widely used worldwide, and we previously observed that the maternal exposure of mice to simazine (50 or 500 μg/kg) resulted in smaller ovaries and uteri of their female offspring. Here, we investigated the underlying mechanism that may account for the reproductive dysfunction induced by simazine. We found that following maternal exposure, simazine is transmitted to the offspring, as evidenced by its presence in the offspring ovaries. Analyses of the simazine-exposed offspring revealed that the expression of the relaxin hormone receptor, relaxin-family peptide receptor 1 (RXFP1), prominently decreased in their ovaries and uteri. In addition, downstream target genes of the relaxin pathway including nitric oxide (NO) synthase 2 (Nos2), Nos3, matrix metallopeptidase 9 (Mmp9), and vascular endothelial growth factor (Vegf) were downregulated in their ovaries. Moreover, AKT and extracellular signal-regulated kinases (ERK) levels and their phosphorylated active forms decreased in simazine-exposed ovaries. In vitro exposure of the human ovarian granulosa cells (KGN) and uterine endometrium cells (Hec-1A) to very low concentrations (0.001 to 1 nM) of triazines including atrazine, terbuthylazine, and propazine repressed NO production with a concurrent reduction in RXFP1, NOS2, and NOS3. The inhibitory action of triazines on NO release was dependent on RXFP1, phosphoinositol 3-kinase (PI3K)/AKT, and ERK. Radioligand-binding assay also confirmed that triazines competitively inhibited the binding of relaxin to its receptor. Therefore, the present study suggests that triazine herbicides act as endocrine disrupters by interfering with relaxin hormone signaling. Thus, further evaluation of their impact on human health is imperative. - Highlights: • Triazines downregulate critical molecules involved in the relaxin signaling pathway. • Triazines act as potent antagonists of binding of relaxin to its receptor. • Triazines disrupt nitric oxide

On the use of triazines as inhibitors of steel corrosion

International Nuclear Information System (INIS)

Sizaya, O.I.; Andrushko, A.P.

2004-01-01

A possibility of using substandard pesticides as a raw materials for synthesis of a set of triazines and also using them as a inhibitors of acidic corrosion of steel 20, as well as additions to epoxy powder coatings is considered. It is shown that triazines studied are inhibitors of acidic corrosion of steel 20. 2,4-di(ethylamino)-6-phenylhydrazono-1,3,5-triazine (In 4) has a maximum inhibiting effect among the studied compounds [ru

Computational Study on Substituted s-Triazine Derivatives as Energetic Materials

Directory of Open Access Journals (Sweden)

Vikas D. Ghule

2012-01-01

Full Text Available s-Triazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores s-triazine derivatives in which different -NO2, -NH2 and -N3 substituted azoles are attached to the triazine ring via C-N linkage. The density functional theory is used to predict geometries, heats of formation and other energetic properties. Among the designed compounds, -N3 derivatives show very high heats of formation. The densities for designed compounds were predicted by using the crystal packing calculations. Introduction of -NO2 group improves density as compared to -NH2 and -N3, their order of increasing density can be given as NO2>N3>NH2. Analysis of the bond dissociation energies for C-NO2, C-NH2 and C-N3 bonds indicates that substitutions of the -N3 and -NH2 group are favorable for enhancing the thermal stability of s-triazine derivatives. The nitro and azido derivatives of triazine are found to be promising candidates for the synthetic studies.

Sample clean-up, enrichment and determination of s -triazine ...

African Journals Online (AJOL)

In liquid membrane extraction, the uncharged triazine compounds from the flowing donor solution diffuse through a porous poly(tetrafluoroethylene) (PTFE) membrane, containing a water immiscible organic solvent. The s-triazine molecules are then irreversibly trapped in the stagnant acidic acceptor phase since they ...

Synthesis of New Pyrazolo[5,1-c]triazine, Triazolo[5,1-c]triazine, Triazino[4,3-b]indazole and Benzimidazo[2,1-c]triazine Derivatives Incorporating Chromen-2-one Moiety

Energy Technology Data Exchange (ETDEWEB)

Khalil, Mohamed A.; Sayed, Samia M.; Raslan, Mohamed A. [Aswan Univ., Aswan (Egypt)

2013-10-15

The versatile, hitherto unreported 3-(4-(2-phenyldiazenyl)-2-oxo-2H-chromen-3-yl)-3-oxopropanenitrile 3 was prepared by two convenient routes: either by the reaction of ethyl 4-(2-phenyldiazenyl)-2-oxo-2H-chromen-3-carboxylate 2 with acetonitrile in the presence of sodium hydride or by treatment of 4-(2-phenyldiazenyl)-3-(2-bromoacetyl)-2H-chromen-2-one 5 with potassium cyanide. Reaction of 3 with heterocyclic diazonium salts 6, 7, 14 and 17 furnished the corresponding hydrazones 8, 9, 15 and 18. The latter hydrazones underwent intramolecular cyclization into the corresponding pyrazolo[5,1-c]-1,2,4-triazine 10, 1,2,4-triazolo[5,1-c]-1,2,4-triazine 11, 1,2,4-triazino[4,3-b]indazole 16 and imidazo[2,1-c]-1,2,4-triazine 19 derivatives, respectively upon refluxing in pyridine.

An innovative bovine odorant binding protein-based filtering cartridge for the removal of triazine herbicides from water.

Science.gov (United States)

Bianchi, Federica; Basini, Giuseppina; Grolli, Stefano; Conti, Virna; Bianchi, Francesco; Grasselli, Francesca; Careri, Maria; Ramoni, Roberto

2013-01-01

Odorant binding protein (OBP) is a multi-functional scavenger for small hydrophobic molecules dissolved in the mucus lining the nasal epithelia of mammals, characterized by broad ligand binding specificity towards a large number of structurally unrelated natural and synthetic molecules of different chemical classes. Here, we demonstrate for the first time the application of OBP as the active element of an innovative filtering matrix for the removal of environmental pollutants such as triazine herbicides from water samples. The filtering device, obtained by coupling histidine-tagged bovine OBP to a nickel nitrilotriacetic acid (Ni-NTA) agarose resin, was characterized in terms of retention capacity for the herbicides atrazine, simazine, and propazine. Analysis of these herbicides at trace levels with solid-phase microextraction followed by gas chromatography-mass spectrometry using the selected ion monitoring mode proved the capabilities of the proposed device for the decontamination of surface and groundwater samples in the 0.2-2,300 μg/L concentration range, obtaining a reduction in the triazine content greater than 97 %, thus suggesting its possible use for the potabilization of water.

BET, thermal degradation, and FTIR spectras of triazine polyamine polymers.

Science.gov (United States)

Can, Mustafa

2017-04-01

Here we show effect of the polyamine polymer chain length to BET isotherms. According to IUPAC classification [1], all three polymers are fitting type 1 physical adsorption isotherm with H3 hysteresis (except for EDA having H2 hysteresis). Moreover, TG and TGA analysis of polymers triazine-ethylenediamine (EDA) and triazine-triethylenetetramine (TETA) are provided. Due to the similarities of the structure, main decomposition temperatures are close to each other (between 593 K and 873 K). In order to understand change of FTIR spectra with adsorption and stripping Au(III), fresh, Au(III) adsorbed and recycled spectras of polymers measured. For further discussions about the effect of chain length to adsorption of Au(III) onto triazine polyamine polymer particles "Au (III) Uptake by Triazine Polyamine Polymers: Mechanism, Kinetic and Equilibrium Studies" Can et al. [2] (article in press).

Nucleotide-mimetic synthetic ligands for DNA-recognizing enzymes One-step purification of Pfu DNA polymerase.

Science.gov (United States)

Melissis, S; Labrou, N E; Clonis, Y D

2006-07-28

The commercial availability of DNA polymerases has revolutionized molecular biotechnology and certain sectors of the bio-industry. Therefore, the development of affinity adsorbents for purification of DNA polymerases is of academic interest and practical importance. In the present study we describe the design, synthesis and evaluation of a combinatorial library of novel affinity ligands for the purification of DNA polymerases (Pols). Pyrococcus furiosus DNA polymerase (Pfu Pol) was employed as a proof-of-principle example. Affinity ligand design was based on mimicking the natural interactions between deoxynucleoside-triphosphates (dNTPs) and the B-motif, a conserved structural moiety found in Pol-I and Pol-II family of enzymes. Solid-phase 'structure-guided' combinatorial chemistry was used to construct a library of 26 variants of the B-motif-binding 'lead' ligand X-Trz-Y (X is a purine derivative and Y is an aliphatic/aromatic sulphonate or phosphonate derivative) using 1,3,5-triazine (Trz) as the scaffold for assembly. The 'lead' ligand showed complementarity against a Lys and a Tyr residue of the polymerase B-motif. The ligand library was screened for its ability to bind and purify Pfu Pol from Escherichia coli extract. One immobilized ligand (oABSAd), bearing 9-aminoethyladenine (AEAd) and sulfanilic acid (oABS) linked on the triazine scaffold, displayed the highest purifying ability and binding capacity (0,55 mg Pfu Pol/g wet gel). Adsorption equilibrium studies with this affinity ligand and Pfu Pol determined a dissociation constant (K(D)) of 83 nM for the respective complex. The oABSAd affinity adsorbent was exploited in the development of a facile Pfu Pol purification protocol, affording homogeneous enzyme (>99% purity) in a single chromatography step. Quality control tests showed that Pfu Pol purified on the B-motif-complementing ligand is free of nucleic acids and contaminating nuclease activities, therefore, suitable for experimental use.

Release behavior of triazine residues in stabilised contaminated soils

International Nuclear Information System (INIS)

Ying, G.G.; Kookana, R.S.; Mallavarpu, M.

2005-01-01

This paper reports the release behavior of two triazines (atrazine and simazine) in stabilised soils from a pesticide-contaminated site in South Australia. The soils were contaminated with a range of pesticides, especially with triazine herbicides. With multiple extractions of each soil sample with deionised water (eight in total), 15% of atrazine and 4% of simazine residues were recovered, resulting in very high concentrations of the two herbicides in leachate. The presence of small fractions of surfactants was found to further enhance the release of the residues. Methanol content up to 10% did not substantially influence the concentration of simazine and atrazine released. The study demonstrated that while the stabilisation of contaminated soil with particulate activated carbon (5%) and cement mix (15%) was effective in locking the residues of some pesticides, it failed to immobilise triazine herbicides residues completely. Given the higher water solubility of these herbicides than other compounds more effective strategies to immobilise their residues is needed. - Stabilisation of contaminated soil with a mix of activated carbon and cement may fail to immobilise some contaminants like triazines

The effects of s-triazines on selected marine macroalgae

International Nuclear Information System (INIS)

Lewey, S.A.; Nummela, E.C.

1999-01-01

Although s-triazines have been used as herbicides for many years, their use and that of other herbicides and fungicides, in antifouling compounds is only fairly recent. The Hamble estuary, Hampshire UK has been identified as one such site. Investigations were conducted into the effects of s-triazines on selected marine macroalgae, local to that area

Adsorption of s-triazines onto polybenzimidazole: A quantitative structure-property relationship investigation

Energy Technology Data Exchange (ETDEWEB)

D' Archivio, Angelo Antonio, E-mail: angeloantonio.darchivio@univaq.it [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi dell' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy); Incani, Angela; Mazzeo, Pietro; Ruggieri, Fabrizio [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi dell' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy)

2009-09-21

The adsorption of 25 symmetric triazines (s-triazines) on polybenzimidazole (PBI) beads is investigated under equilibrium (batch) conditions. The observed adsorption isotherms of the selected compounds are accurately described by the Freundlich model, while the agreement between the Langmuir model and the experimental data is moderately worse, which seems to reflect the heterogeneous meso- and micro-porosity of PBI and polydispersion in the interaction mechanism. Methylthio- and methoxytriazines exhibit a greater adsorption tendency as compared with chlorotriazines, moreover, progressive dealkylation of amino groups results in a progressive increase of triazine uptake on PBI. Based on these evidences, the adsorption mechanism seems to be governed by a combination of {pi}-{pi} and hydrogen-bonding interactions. Genetic algorithm (GA) variable selection and multilinear regression (MLR) are combined in order to describe the effect of triazine structure on the extraction performance of PBI according to the quantitative structure-property relationship (QSPR) method. q{sub max}, the amount of triazine adsorbed per weight unit of PBI assuming homogeneous monolayer (Langmuir) mechanism, exhibits a great variability within the set of investigated triazines and is the quantity here modelled by QSPR. On the other hand, the Freundlich constant, K{sub F}, which expresses the adsorption efficiency under multilayer heterogeneous conditions, even if markedly increases passing from chloro- to methylthio- or methoxytriazines, is less noticeably affected by the fine details of the adsorbate structure, as the number or nature of alkyl fragments bound to the amino groups. To quantitatively relate q{sub max} with the triazine structure GA-MLR analysis is performed on the set of 1664 theoretical molecular descriptors provided by the software Dragon. Finally, a four-dimensional QSPR model is selected based on leave-one-out cross-validation and its prediction ability is further tested on

Adsorption of s-triazines onto polybenzimidazole: A quantitative structure-property relationship investigation

International Nuclear Information System (INIS)

D'Archivio, Angelo Antonio; Incani, Angela; Mazzeo, Pietro; Ruggieri, Fabrizio

2009-01-01

The adsorption of 25 symmetric triazines (s-triazines) on polybenzimidazole (PBI) beads is investigated under equilibrium (batch) conditions. The observed adsorption isotherms of the selected compounds are accurately described by the Freundlich model, while the agreement between the Langmuir model and the experimental data is moderately worse, which seems to reflect the heterogeneous meso- and micro-porosity of PBI and polydispersion in the interaction mechanism. Methylthio- and methoxytriazines exhibit a greater adsorption tendency as compared with chlorotriazines, moreover, progressive dealkylation of amino groups results in a progressive increase of triazine uptake on PBI. Based on these evidences, the adsorption mechanism seems to be governed by a combination of π-π and hydrogen-bonding interactions. Genetic algorithm (GA) variable selection and multilinear regression (MLR) are combined in order to describe the effect of triazine structure on the extraction performance of PBI according to the quantitative structure-property relationship (QSPR) method. q max , the amount of triazine adsorbed per weight unit of PBI assuming homogeneous monolayer (Langmuir) mechanism, exhibits a great variability within the set of investigated triazines and is the quantity here modelled by QSPR. On the other hand, the Freundlich constant, K F , which expresses the adsorption efficiency under multilayer heterogeneous conditions, even if markedly increases passing from chloro- to methylthio- or methoxytriazines, is less noticeably affected by the fine details of the adsorbate structure, as the number or nature of alkyl fragments bound to the amino groups. To quantitatively relate q max with the triazine structure GA-MLR analysis is performed on the set of 1664 theoretical molecular descriptors provided by the software Dragon. Finally, a four-dimensional QSPR model is selected based on leave-one-out cross-validation and its prediction ability is further tested on four

First principles DFT study of dye-sensitized CdS quantum dots

Energy Technology Data Exchange (ETDEWEB)

Jain, Kalpna; Singh, Kh. S. [Department of Physics, D. J. College, Baraut -250611, U.P. (India); Kishor, Shyam, E-mail: shyam387@gmail.com [Department of Chemistry, J. V. College, Baraut -250611, U.P. (India); Josefesson, Ida; Odelius, Michael [Fysikum, Albanova University Center, Stockholm University, S-106 91 Stockholm (Sweden); Ramaniah, Lavanya M. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)

2014-04-24

Dye-sensitized quantum dots (QDs) are considered promising candidates for dye-sensitized solar cells. In order to maximize their efficiency, detailed theoretical studies are important. Here, we report a first principles density functional theory (DFT) investigation of experimentally realized dye - sensitized QD / ligand systems, viz., Cd{sub 16}S{sub 16}, capped with acetate molecules and a coumarin dye. The hybrid B3LYP functional and a 6−311+G(d,p)/LANL2dz basis set are used to study the geometric, energetic and electronic properties of these clusters. There is significant structural rearrangement in all the clusters studied - on the surface for the bare QD, and in the positions of the acetate / dye ligands for the ligated QDs. The density of states (DOS) of the bare QD shows states in the band gap, which disappear on surface passivation with the acetate molecules. Interestingly, in the dye-sensitised QD, the HOMO is found to be localized mainly on the dye molecule, while the LUMO is on the QD, as required for photo-induced electron injection from the dye to the QD.

Towards the Development of Functionalized PolypyridineLigands for Ru(II Complexes as Photosensitizers inDye-Sensitized Solar Cells (DSSCs

Directory of Open Access Journals (Sweden)

Adewale O. Adeloye

2014-08-01

Full Text Available A number of novel ruthenium(II polypyridine complexes have been designedand synthesized for use as photosensitizers in dye-sensitized solar cells (DSSCs due totheir rich photophysical properties such as intense absorption, long-lived lifetimes, highemission quantum yields and unique redox characteristics. Many of these complexesexhibit photophysical behavior that can be readily controlled through a careful choice ofligands and/or substituents. With this perspective, we review the design and general syntheticmethods of some polypyridine ligands based on bipyridine, phenanthroline, terpyridine andquaterpyridine with/without anchoring groups with a view to correlate functionality ofligand structures with the observed photophysical, electroredox and power conversionefficiency of some examples of Ru(II polypyridyl complexes that have been reported andparticularly used in the DSSCs applications. The main interest, however, is focused onshowing the development of new polypyridine ligand materials containing long-rangeelectron transfer motifs such as the alkenyl, alkynyl and polyaromatic donor functionalities.

Catalytic hydrolysis of s-triazine compounds over AlzO3

NARCIS (Netherlands)

Zhan, Z.; Zhan, Zhaoqi; Müllner, Martin; Lercher, J.A.

1996-01-01

Hydrolysis of cyanuric acid, melamine, melem, atrazine and melamine-formaldehyde resin was found to be catalyzed by an A12O3 catatyst. The reactions occur irreversibly with cleavage of the s-triazine ring between 240 and 450°C. The s-triazine-ring is hydrolyzed to ammonia and carbon dioxide, and the

Separation of trivalent actinides and lanthanides with some substituted oligopyridines and triazines in synergy with 2-bromodecanoic acid. (Presented at the International Solvent Extraction Conference, July 1999 in Barcelona)

International Nuclear Information System (INIS)

Enarsson, Aa.; Spjuth, L.; Liljenzin, J.O.; Kaellvenius, G.

2000-01-01

The separation of trivalent actinides and lanthanides with some substituted oligopyridines and triazines in synergy with 2-bromodecanoic acid was studied. All ligands, except the quinolinyl-derivatives, showed high metal extraction and good separation factors for trivalent actinides over lanthanides. The substituted di-pyridyltriazines and the quaterpyridine showed the highest distribution ratios and quater- and quinquepyridine the highest separation factors, at low nitric acid concentration. The basicity of the different ligands were determined by non-aqueous titration in acetonitrile media and was related to the metal extraction. The substituted di-pyridyltriazines, which showed the highest metal extraction also showed the lowest basicity

Removal of triazine herbicides from freshwater systems using photosynthetic microorganisms

International Nuclear Information System (INIS)

Gonzalez-Barreiro, O.; Rioboo, C.; Herrero, C.; Cid, A.

2006-01-01

The uptake of the triazine herbicides, atrazine and terbutryn, was determined for two freshwater photosynthetic microorganisms, the green microalga Chlorella vulgaris and the cyanobacterium Synechococcus elongatus. An extremely rapid uptake of both pesticides was recorded, although uptake rate was lower for the cyanobacterium, mainly for atrazine. Other parameters related to the herbicide bioconcentration capacity of these microorganisms were also studied. Growth rate, biomass, and cell viability in cultures containing herbicide were clearly affected by herbicide uptake. Herbicide toxicity and microalgae sensitivity were used to determine the effectiveness of the bioconcentration process and the stability of herbicide removal. C. vulgaris showed higher bioconcentration capability for these two triazine herbicides than S. elongatus, especially with regard to terbutryn. This study supports the usefulness of such microorganisms, as a bioremediation technique in freshwater systems polluted with triazine herbicides

Removal of triazine herbicides from freshwater systems using photosynthetic microorganisms

Energy Technology Data Exchange (ETDEWEB)

Gonzalez-Barreiro, O. [Laboratorio de Microbiologia, Facultad de Ciencias, Universidad de A Coruna, Campus da Zapateira s/n. 15071 A Coruna (Spain); Rioboo, C. [Laboratorio de Microbiologia, Facultad de Ciencias, Universidad de A Coruna, Campus da Zapateira s/n. 15071 A Coruna (Spain); Herrero, C. [Laboratorio de Microbiologia, Facultad de Ciencias, Universidad de A Coruna, Campus da Zapateira s/n. 15071 A Coruna (Spain); Cid, A. [Laboratorio de Microbiologia, Facultad de Ciencias, Universidad de A Coruna, Campus da Zapateira s/n. 15071 A Coruna (Spain)]. E-mail: cid@udc.es

2006-11-15

The uptake of the triazine herbicides, atrazine and terbutryn, was determined for two freshwater photosynthetic microorganisms, the green microalga Chlorella vulgaris and the cyanobacterium Synechococcus elongatus. An extremely rapid uptake of both pesticides was recorded, although uptake rate was lower for the cyanobacterium, mainly for atrazine. Other parameters related to the herbicide bioconcentration capacity of these microorganisms were also studied. Growth rate, biomass, and cell viability in cultures containing herbicide were clearly affected by herbicide uptake. Herbicide toxicity and microalgae sensitivity were used to determine the effectiveness of the bioconcentration process and the stability of herbicide removal. C. vulgaris showed higher bioconcentration capability for these two triazine herbicides than S. elongatus, especially with regard to terbutryn. This study supports the usefulness of such microorganisms, as a bioremediation technique in freshwater systems polluted with triazine herbicides.

Supramolecular architectures constructed using angular bipyridyl ligands

International Nuclear Information System (INIS)

Barnett, Sarah Ann

2003-01-01

This work details the synthesis and characterization of a series of coordination frameworks that are formed using bidentate angular N-donor ligands. Pyrimidine was reacted with metal(ll) nitrate salts. Reactions using Cd(NO 3 ) 2 receive particular focus and the analogous reactions using the linear ligand, pyrazine, were studied for comparison. In all cases, two-dimensional coordination networks were prepared. Structural diversity is observed for the Cd(ll) centres including metal-nitrate bridging. In contrast, first row transition metal nitrates form isostructural one-dimensional chains with only the bridging N-donor ligands generating polymeric propagation. The angular ligand, 2,4-bis(4-pyridyl)-1,3,5-triazine (dpt), was reacted with Cd(NO 3 ) 2 and Zn(NO 3 ) 2 . Whereas Zn(NO 3 ) 2 compounds exhibit solvent mediated polymorphism, a range of structures were obtained for the reactions with Cd(NO 3 ) 2 , including the first example of a doubly parallel interpenetrated 4.8 2 net. 4,7-phenanthroline, was reacted with various metal(ll) nitrates as well as cobalt(ll) and copper(ll) halides. The ability of 4,7-phenanthroline to act as both a N-donor ligand and a hydrogen bond acceptor has been discussed. Reactions of CuSCN with pyrimidine yield an unusual three-dimensional structure in which polymeric propagation is not a result of ligand bridging. The reaction of CuSCN with dpt yielded structural supramolecular isomers. (author)

Studies on the Interaction of a Novel 6,6''-bis(1,2,4-triazin-3-yl)- 2,2':6',2''-terpyridine Ligand with Lanthanide(III) Ions and Americium(III)

International Nuclear Information System (INIS)

Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G.B.; Modolo, Giuseppe; Sypula, Michal; Desreux, Jean F.; Bouslimani, Nouri; Vidick, Geoffrey

2010-01-01

The new solvent extraction reagent 6,6''-bis(5,5,8,8-tetramethyl- 5,6,7,8-tetrahydro-1,2,4-benzo-triazin-3-yl)-2,2':6',2''-terpyridine (CyMe 4 -BTTP) has been synthesized in 4 steps from 2,2':6',2''-terpyridine. Detailed NMR and mass spectrometry studies indicate that the ligand forms 1:2 complexes with lanthanide(III) perchlorates where the aliphatic rings are conformationally constrained whereas 1:1 complexes are formed with lanthanide(III) nitrates where the aliphatic rings are conformationally mobile. An optimized structure of the 1:2 solution complex with Yb(III) was obtained from the relative magnitude of the induced paramagnetic shifts. X-ray crystallographic structures of the ligand and of its 1:1 complex with Y(III) were also obtained. In the absence of a phase-modifier, CyMe 4 -BTTP in 1-octanol showed a maximum distribution coefficient of Am(III) of 0.039 (±20%) and a maximum separation factor of Am(III) over Eu(III) of 12.0 from nitric acid solution. The metal(III) cations are extracted as the 1:1 complex from nitric acid solutions. The generally low distribution coefficients observed compared with the BTBPs arise because the 1:1 complex of CyMe 4 -BTTP is considerably less hydrophobic than the 1:2 complexes formed by the BTBPs. In M(BTTP) 3+ complexes, there is a competition between the nitrate ions and the ligand for the complexation of the metal. (authors)

Efficient Routes to Pyrazolo[3,4-e][1,2,4]triazines and a New Ring System: [1,2,4]Triazino[5,6-d][1,2,3]triazines

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Hamad Mohamed Al-Matar

2010-05-01

Full Text Available Arylhydrazonomalononitriles 1a,b react with phenylhydrazine to yield amidrazones 2a,b that cyclize to give 2-aryl-5-phenylhydrazono-2,5-dihydro-[1,2,4]-triazine-6-carbonitriles 5a,b upon reaction with dimethylformamide dimethylacetal (DMFDMA. Refluxing 5a,b in glacial acetic acid resulted in the formation of the pyrazolo-1,2,4-triazines 6a,b. Compounds 6a,b were also formed upon treatment of 3-amino-4-phenylhydrazono-1-phenyl-2-pyrazolin-5-ones 7a,b with DMFDMA. Reacting these triazinyl arylhydrazononitriles 5a,b with hydroxylamine hydrochloride in ethanolic sodium acetate afforded amidrazones 8a,b that are readily cyclized in refluxing dimethylformamide into [1,2,4]triazino[1,2,3]triazines 10a,b.

Vibrational spectroscopy of photosensitizer dyes for organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Perez Leon, C.

2005-11-18

Ruthenium(II) complexes containing polypyridyl ligands are intensely investigated as potential photosensitizers in organic solar cells. Of particular interest is their use in dye-sensitized solar cells based on nanocrystalline films of TiO{sub 2}. Functional groups of the dye allow for efficient anchoring on the semiconductor surface and promote the electronic communication between the donor orbital of the dye and the conduction band of the semiconductor. In the present work a new dye, [Ru(dcbpyH{sub 2}){sub 2}(bpy-TPA{sub 2})](PF6{sub )2}, and the well known (Bu{sub 4}N){sub 2}[Ru(dcbpyH){sub 2}(NCS){sub 2}] complex were spectroscopically characterized. The electronic transitions of both dyes showed solvatochromic shifts due to specific interactions of the ligands with the solvent molecules. The surface-enhanced Raman (SER) spectra of the dyes dissolved in water, ethanol, and acetonitrile were measured in silver and gold colloidal solutions. The results demonstrate that the dyes were adsorbed on the metallic nanoparticles in different ways for different solvents. It was also found that in the gold colloid, the aqueous solutions of both dyes did not produce any SERS signal, whereas in ethanolic solution the SERS effect was very weak. Deprotonation, H-bonding, and donor-acceptor interactions seem to determine these different behaviors. Our results indicate the important role of the charge transfer mechanism in SERS. The adsorption of the dye on two different TiO{sub 2} substrates, anatase paste films and anatase nanopowder, was also studied to clarify the role of the carboxylate groups in the anchoring process of the dyes on the semiconductor surface. The recorded spectra indicate a strong dependence of the anchoring configuration on the morphology of the semiconductor. (orig.)

The use of supramolecular chemistry in dye delivery systems

International Nuclear Information System (INIS)

Merckel, Daniel Andrew Sturton

2002-01-01

This thesis reports an investigation into supramolecular recognition of the sulfate/ sulfonate oxoanionic group, a moiety present in the majority of reactive dyes. In the first section the problems associated with the use of reactive dyes in dyeing cotton fabrics together with a literature review of supramolecular approaches to anion recognition are discussed. Drawing on the current literature concerning anion recognition (in particular the recognition of phosphates), the main body of the thesis concerns the design and synthesis of several series ofC-shaped (tweezer) and tripodal potential sulfate/ sulfonate receptors. These receptors incorporate the H-bond donor groups guanidine and thiourea and to a lesser extent urea and amide functionalities. In addition the behaviour of potential tweezer-like receptor molecules based on s-triazine (derived from cyanuric chloride) has also been investigated. The sulfate/ sulfonate and related phosphonate association properties of these potential receptors have been studied. Particular emphasis has been placed on the solid-state supramolecular structures formed by these complexes as determined by single crystal X-ray structural studies, and several novel and revealing examples have been analysed in detail. NMR titration binding studies have also been undertaken in order to investigate the complexation behaviour of several receptors with ''model dye'' phosphonates and sulfonates in solution. In addition a number of single crystal X-ray crystallographic studies were undertaken for other members of the Grossel research group during the course of this work, and the results of these structural studies are also reported. (author)

Analysis of s-triazine herbicides in model systems and samples of groundwater by gas and liquid chromatography

Directory of Open Access Journals (Sweden)

Kostadinović Ljiljana

2010-01-01

Full Text Available In this paper, residues of s-triazine herbicides (Simazine, Atrazine, Amethrine, Promethrine and Azyprothrine have been determined in samples of model systems and real groundwater samples by gas-chromatography and high performance liquid chromatography. S-triazine herbicides were isolated from water samples by chloroform-methanol mixture (1:1, followed by purification of extract on the Al2O3 column. Gas-chromatographic determination the residues of s-triazines is performed on parallel capilar columns ULTRA I and ULTRA II, using specific NP detector. Liquid-chromatographic determination the s-triazines was performed on the column TSK ODS-120 A 5 mm 'LKB', using the mobile phase methanol-water (60:40. Total concentration of s-triazines in samples of Danube water was 3.54 mg dm-3. .

Thermodynamics of complexation of lanthanides with 2,6-bis(5,6-diethyl-1,2,4-triazin-3-yl) pyridine

Energy Technology Data Exchange (ETDEWEB)

Rawat, N.; Bhattacharyya, A.; Tomar, B.S. [Bhabha Atomic Research Centre, Trombay, Mumbai (India). Radiochemistry Div.; Ghosh, S.K.; Gadly, T. [Bhabha Atomic Research Centre, Trombay, Mumbai (India). Bioorganic Div.

2011-07-01

Solvent extraction studies on separation of trivalent actinides from lanthanides using 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl) pyridines have shown promising results with respect to separation factor and efficiency in acidic medium. In order to understand their complexation behavior, the stability constant (log {beta}) of trivalent lanthanides (La, Nd, Eu, Tb, Ho, Tm, Lu) with 2,6-bis(5,6-diethyl-1,2,4-triazin-3-yl)pyridine (ethyl-BTP) have been determined in methanol medium (ionic strength 0.01 M) using spectrophotometric titrations. The stoichiometry of the complexes is found to vary with the ionic size of lanthanide ion. The variation in log {beta} across the lanthanide series is attributed to variation in solvation characteristics of the metal ion. Comparison of log {beta} for Ln(III)-ethyl-BTP complexes with other alkyl derivatives showed increase in the stability with increasing length of the alkyl group due to hydrophobic interaction. In the case of Eu(III), the speciation was also corroborated by time resolved fluorescence spectroscopy. The thermodynamic parameters ({delta} G, {delta} H, {delta} S) for complexation of Eu(III) with ethyl-BTP, were determined by microcalorimetry, which revealed strong metal ion-ligand interaction with the reactions driven mainly by enthalpy. (orig.)

4-Phenethylthio-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H-one

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Sergey A. Smolnikov

2017-12-01

Full Text Available Exploring the pharmacologically important pyrazolo[1,5-a][1,3,5]triazin-7(6H-one scaffold for the construction of new bioactive compounds, we developed a synthesis of 4-phenethylthio-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H-one (4 via S-alkylation of 2-phenyl-4-thioxopyrazolo[1,5-a][1,3,5]triazine-7(6H-one (3, prepared by the double ring closure of pyrazole and triazine rings upon the treatment of 1-cyanoacetyl-4-benzoylthiosemicarbazide (2 with alkali. The antiproliferative activity of 4 against human lung cancer (A549 and human breast cancer (MDA-MB231 cell lines was investigated. Compound 4 was found to be more active against lung cancer cells than breast cancer cells.

Gold-Catalyzed Formal [4+1]/[4+3] Cycloadditions of Diazo Esters with Triazines.

Science.gov (United States)

Zhu, Chenghao; Xu, Guangyang; Sun, Jiangtao

2016-09-19

Reported herein is the unprecedented gold-catalyzed formal [4+1]/[4+3] cycloadditions of diazo esters with hexahydro-1,3,4-triazines, thus providing five- and seven-membered heterocycles in moderate to high yields under mild reaction conditions. These reactions feature the use of a gold complex to accomplish the diverse annulations and the first example of the involvement of a gold metallo-enolcarbene in a cycloaddition. It is also the first utilization of stable triazines as formal dipolar adducts in the carbene-involved cycloadditions. Mechanistic investigations reveal that the triazines reacted directly, rather than as formaldimine precursors, in the reaction process. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Insights into the Mechanism of a Covalently Linked Organic Dye-Cobaloxime Catalyst System for Dye-Sensitized Solar Fuel Devices.

Science.gov (United States)

Pati, Palas Baran; Zhang, Lei; Philippe, Bertrand; Fernández-Terán, Ricardo; Ahmadi, Sareh; Tian, Lei; Rensmo, Håkan; Hammarström, Leif; Tian, Haining

2017-06-09

A covalently linked organic dye-cobaloxime catalyst system based on mesoporous NiO is synthesized by a facile click reaction for mechanistic studies and application in a dye-sensitized solar fuel device. The system is systematically investigated by photoelectrochemical measurements, density functional theory, time-resolved fluorescence, transient absorption spectroscopy, and photoelectron spectroscopy. The results show that irradiation of the dye-catalyst on NiO leads to ultrafast hole injection into NiO from the excited dye, followed by a fast electron transfer process to reduce the catalyst. Moreover, the dye adopts different structures with different excited state energies, and excitation energy transfer occurs between neighboring molecules on the semiconductor surface. The photoelectrochemical experiments also show hydrogen production by this system. The axial chloride ligands of the catalyst are released during photocatalysis to create the active sites for proton reduction. A working mechanism of the dye-catalyst system on the photocathode is proposed on the basis of this study. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

Energy Technology Data Exchange (ETDEWEB)

Pietraszkiewicz, Marek, E-mail: mpietraszkiewicz@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Dutkiewicz, Grzegorz; Borowiak, Teresa [Adam Mickiewicz University, Faculty of Chemistry, Department of Crystallography, Grunwaldzka 6, 60-780 Poznań (Poland); Kaczmarek, Anna M. [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium); Van Deun, Rik, E-mail: rik.vandeun@ugent.be [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium)

2016-02-15

Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu{sup 3+} to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip){sub 3}. The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

International Nuclear Information System (INIS)

Pietraszkiewicz, Marek; Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina; Dutkiewicz, Grzegorz; Borowiak, Teresa; Kaczmarek, Anna M.; Van Deun, Rik

2016-01-01

Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu 3+ to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip) 3 . The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

Determination of triazines in hemodialysis saline solutions by adsorptive stripping voltammetry after extraction in acetonitrile

Directory of Open Access Journals (Sweden)

Nascimento Paulo Cícero do

2003-01-01

Full Text Available A method for the voltammetric determination of 2-methylthio-4,6-dialkylamino-1,3,5-triazine (triazines herbicides in hemodialysis (HD saline solutions was developed. The herbicides were detected in the saline solutions at the hanging mercury drop electrode (HMDE with high sensitivities only after extraction of the analytes in acetonitrile (ACN. The salting out effect originated by the saline environment existing in the solutions enabled the extractions. The volume ratio between the saline and ACN phases was investigated in order to find the best sensitivity to detect the triazines. The speciation amongst them (ametryn, desmetryn, prometryn and terbutryn was not possible. Recoveries between 88 and 107% were calculated in spiked samples, and detection limits of 0.03 mumol L-1 were calculated for the triazines in the saline samples using this methodology.

Understanding effects of chemical structure on azo dye decolorization characteristics by Aeromonas hydrophila

Energy Technology Data Exchange (ETDEWEB)

Hsueh, Chung-Chuan [Department of Chemical and Materials Engineering, National I-Lan University, I-Lan 260, Taiwan (China); Chen, Bor-Yann, E-mail: bychen@niu.edu.tw [Department of Chemical and Materials Engineering, National I-Lan University, I-Lan 260, Taiwan (China); Yen, Chia-Yi [Department of Chemical and Materials Engineering, National I-Lan University, I-Lan 260, Taiwan (China)

2009-08-15

This novel comparative study tended to disclose how the molecular structures present in seven azo dyes including two types of azo dyes (i.e., naphthol type azo dyes - Reactive Black 5 (RB 5), Reactive Blue 171 (RB 171), Reactive Green 19 (RG19), Reactive Red 198 (RR198), Reactive Red 141 (RR141) and non-naphthol type azo dyes - Direct Yellow 86 (DY86), Reactive Yellow 84 (RY84)) affected color removal capability of Aeromonas hydrophila. Generally speaking, the decolorization rate of naphthol type azo dye with hydroxyl group at ortho to azo bond was faster than that of non-naphthol type azo dye without hydroxyl group, except of RG19. The azo dyes with electron-withdrawing groups (e.g., sulfo group in RR198, RB5 and RR141) would be easier to be decolorized than the azo dyes with the electron-releasing groups (e.g., -NH-triazine in RB171 and RG19). In addition, the azo dyes containing more electron-withdrawing groups (e.g., RR198, RB5 and RR141) showed significantly faster rate of decolorization. The azo dyes with electron-withdrawing groups (e.g., sulfo group) at para and ortho to azo bond (e.g., RR198, RB5 and RR141) could be more preferred for color removal than those at meta (e.g., DY86 and RY84). The former azo dyes with para and ortho sulfo group provided more effective resonance effects to withdraw electrons from azo bond, causing azo dyes to be highly electrophilic for faster rates of reductive biodecolorization. However, since the ortho substituent caused steric hindrance near azo linkage(s), azo dyes with para substituent could be more favorable (e.g., SO{sub 2}(CH{sub 2}){sub 2}SO{sub 4}{sup -} in RR198 and RB5) than those with ortho substituent (e.g., sulfo group at RR141) for decolorization. Thus, the ranking of the position for the electron-withdrawing substituent in azo dyes to escalate decolorization was para > ortho > meta. This study suggested that both the positions of substituents on the aromatic ring and the electronic characteristics of

Triazine-Carbon Nanotubes: New Platforms for the Design of Flavin Receptors.

Science.gov (United States)

Lucío, María Isabel; Pichler, Federica; Ramírez, José Ramón; de la Hoz, Antonio; Sánchez-Migallón, Ana; Hadad, Caroline; Quintana, Mildred; Giulani, Angela; Bracamonte, Maria Victoria; Fierro, Jose L G; Tavagnacco, Claudio; Herrero, María Antonia; Prato, Maurizio; Vázquez, Ester

2016-06-20

The synthesis of functionalised carbon nanotubes as receptors for riboflavin (RBF) is reported. Carbon nanotubes, both single-walled and multi-walled, have been functionalised with 1,3,5-triazines and p-tolyl chains by aryl radical addition under microwave irradiation and the derivatives have been fully characterised by using a range of techniques. The interactions between riboflavin and the hybrids were analysed by using fluorescence and UV/Vis spectroscopic techniques. The results show that the attached functional groups minimise the π-π stacking interactions between riboflavin and the nanotube walls. Comparison of p-tolyl groups with the triazine groups shows that the latter have stronger interactions with riboflavin because of the presence of hydrogen bonds. Moreover, the triazine derivatives follow the Stern-Volmer relationship and show a high association constant with riboflavin. In this way, artificial receptors in catalytic processes could be designed through specific control of the interaction between functionalised carbon nanotubes and riboflavin. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Control of interfacial charge-transfer interaction of dye and p-CuI in solid-state dye-sensitized solar cells

Science.gov (United States)

Moribe, Shinya; Kato, Naohiko; Higuchi, Kazuo; Mizumoto, Katsuyoshi; Toyoda, Tatsuo

2017-04-01

We systematically investigated the photovoltaic and absorption characteristics of solid-state dye-sensitized solar cells with CuI to elucidate the impact of the interaction between the dye and CuI. For the ruthenium complex N719, the incident photon-to-current conversion efficiency (IPCE) on the longer-wavelength side decreased owing to the change of the metal-to-ligand charge transfer (CT) of N719 due to the interaction between the thiocyanate groups of N719 and CuI. In contrast, when D149 — which included rhodanine groups — was used, the interaction with CuI and the resultant CT increased the IPCE. The results provide a new strategy for improving the photovoltaic performance by controlling the interfacial CT between the dye and CuI.

Degradation chemistry of N719 and Z-907 dyes at elevated temperatures

DEFF Research Database (Denmark)

Lund, Torben; Nguyen, Hoang Thai; Phuong, Nguyen Tuyet

2009-01-01

Degradation chemistry of N719 and Z-907 dyes at elevated temperatures.   Torben Lunda, Phuong Tuyet Nguyena and Hoang Thai Nguyenb aDepartment of Science, Systems and Models, Roskilde University, DK-4000, Denmark bDepartment of Chemistry, University of Sciences, HoChiMinh City, Vietnam......      The popular dye sensitized solar cell dyes N719 and Z-907 are in general accepted to be very stable under solar cell conditions below 45 ºC.1 The dyes, however, may undergo thiocyanate ligand substitution reactions with the DSC solvent and additive molecules at elevated temperatures (80-100 º...

Solid-phase Synthesis of Combinatorial 2,4-Disubstituted-1,3,5-Triazine via Amine Nucleophilic Reaction

Energy Technology Data Exchange (ETDEWEB)

Moon, Sung Won [KIST Gangneung Institute, Gangneung (Korea, Republic of); Ham, Jungyeob [Gangneung-Wonju National University, Gangneung (Korea, Republic of); Chang, Young-Tae [National University of Singapore, Singapore (Singapore); Lee, Jae Wook [University of Science and Technology, Daejon (Korea, Republic of)

2015-01-15

In combinatorial chemistry, solid-phase synthesis is a popular approach formass production of small molecules. Compared to solution-phase synthesis, it is easy to prepare and purify a large number of heterocyclic small molecules via solid-phase chemistry; the overall reaction time is decreased as well. 1,3,5-Triazine is a nitrogen-containing heterocyclic aromatic scaffold that was shown to be a druggable scaffold in recent studies. These structures have been reported as anticancer, antimicrobial, and antiretroviral compounds, as CDKs and p38 MAP kinase inhibitors, as estrogen receptor modulators, and as inosine monophosphate dehydrogenase inhibitors. we designed and synthesized disubstituted triazine compounds as an analog of disubstituted pyrimidine compounds. These disubstituted triazine compounds possess a linear structure which may have biological activity similar to that of disubstituted pyrimidine. Here we report the solid-phase synthesis of disubstituted triazine compounds.

Solid-phase Synthesis of Combinatorial 2,4-Disubstituted-1,3,5-Triazine via Amine Nucleophilic Reaction

International Nuclear Information System (INIS)

Moon, Sung Won; Ham, Jungyeob; Chang, Young-Tae; Lee, Jae Wook

2015-01-01

In combinatorial chemistry, solid-phase synthesis is a popular approach formass production of small molecules. Compared to solution-phase synthesis, it is easy to prepare and purify a large number of heterocyclic small molecules via solid-phase chemistry; the overall reaction time is decreased as well. 1,3,5-Triazine is a nitrogen-containing heterocyclic aromatic scaffold that was shown to be a druggable scaffold in recent studies. These structures have been reported as anticancer, antimicrobial, and antiretroviral compounds, as CDKs and p38 MAP kinase inhibitors, as estrogen receptor modulators, and as inosine monophosphate dehydrogenase inhibitors. we designed and synthesized disubstituted triazine compounds as an analog of disubstituted pyrimidine compounds. These disubstituted triazine compounds possess a linear structure which may have biological activity similar to that of disubstituted pyrimidine. Here we report the solid-phase synthesis of disubstituted triazine compounds

Rapid synthesis of triazine inhibitors of inosine monophosphate dehydrogenase.

Science.gov (United States)

Pitts, William J; Guo, Junqing; Dhar, T G Murali; Shen, Zhongqi; Gu, Henry H; Watterson, Scott H; Bednarz, Mark S; Chen, Bang Chi; Barrish, Joel C; Bassolino, Donna; Cheney, Daniel; Fleener, Catherine A; Rouleau, Katherine A; Hollenbaugh, Diane L; Iwanowicz, Edwin J

2002-08-19

A series of novel triazine-based small molecule inhibitors (IV) of inosine monophosphate dehydrogenase was prepared. The synthesis and the structure-activity relationships (SAR) derived from in vitro studies are described.

Synthesis, Spectral, Thermogravimetric, XRD, Molecular Modelling and Potential Antibacterial Studies of Dimeric Complexes with Bis Bidentate ON–NO Donor Azo Dye Ligands

Directory of Open Access Journals (Sweden)

Bipin Bihari Mahapatra

2013-01-01

Full Text Available The dimeric complexes of Co(II, Ni(II, Cu(II, Zn(II, Cd(II, and Hg(II with two new symmetrical ON–NO donor bis bidentate (tetradentate azo dye ligands, LH2 = 4,4′-bis(4′-hydroxyquinolinolinylazodiphenylsulphone, and L′H2 = 4,4′-bis(acetoacetanilideazodiphenylsulphone have been synthesized. The metal complexes have been characterised by elemental analytical, conductance, magnetic susceptibility, IR, electronic spectra, ESR, NMR, thermogravimetry, X-ray diffraction (powder pattern spectra, and molecular modelling studies. The Co(II and Ni(II complexes are found to be octahedral, Cu(II complexes are distorted octahedral, and a tetrahedral stereochemistry has been assigned to Zn(II, Cd(II, and Hg(II complexes. The thermogravimetric study indicates that compounds are quite stable. The energy optimized structures are proposed using the semiempirical ZINDO/1 quantum mechanical calculations. The potential antibacterial study of the ligands and some metal complexes has been made with one gram positive bacteria Staphylococcus aureus and one gram negative bacteria E. coli which gives encouraging results. Both the Co(II complexes are found to possess monoclinic crystal system.

Partitioning-separation of metal ions using heterocyclic ligands

International Nuclear Information System (INIS)

Hudson, M.J.; Drew, M.G.B.; Iveson, P.B.; Russell, M.L.

2001-01-01

Some guidelines are proposed for the effective design of heterocyclic ligands for partitioning because there is no doubt that the correct design of a molecular extractant is required for the effective separation of metal ions such as actinides(III) from lanthanides(III). Heterocyclic ligands with aromatic ring systems have a rich chemistry, which is only now becoming sufficiently well understood in relation to the partitioning process. The synthesis, characterisation and structures of some chosen molecules will be introduced in order to illustrate some important features. For example, the molecule N-carboxy-butyl-2-amino-4,6-di (2-pyridyl)-1,3,5-triazine (BADPTZ), which is an effective solvent extraction reagent for actinides and lanthanides, has been synthesised, characterised and its interaction with lanthanide ions studied. The interesting and important features of this molecule will be compared with those of other heterocyclic molecules such as 2,6-bis(5-butyl-1,2,4-triazole-3-yl) pyridine (DBTZP), which is a candidate molecule for the commercial separation of actinides and lanthanide elements. (author)

Synthesis of heterocycles: Indolo (2,1-a) isoquinolines, renewables, and aptamer ligands for cellular imaging

Energy Technology Data Exchange (ETDEWEB)

Beasley, Jonathan [Ames Laboratory (AMES), Ames, IA (United States)

2013-01-01

In this thesis, we explore both total syntheses and methodologies of several aromatic heterocyclic molecules. Extensions of the Kraus indole synthesis toward 2-substituted and 2,3-disubstituted indoles, as well as biologically attractive indolo[2,1-a]isoquinolines are described. Recent renewable efforts directed to commodity maleic acid and the first reported furan-based ionic liquids are described. Our total synthesis of mRNA aptamer ligand PDC-Gly, and its dye coupled forms, plus aminoglycoside dye coupled ligands used in molecular imaging, are described.

Three-parameter modeling of the soil sorption of acetanilide and triazine herbicide derivatives.

Science.gov (United States)

Freitas, Mirlaine R; Matias, Stella V B G; Macedo, Renato L G; Freitas, Matheus P; Venturin, Nelson

2014-02-01

Herbicides have widely variable toxicity and many of them are persistent soil contaminants. Acetanilide and triazine family of herbicides have widespread use, but increasing interest for the development of new herbicides has been rising to increase their effectiveness and to diminish environmental hazard. The environmental risk of new herbicides can be accessed by estimating their soil sorption (logKoc), which is usually correlated to the octanol/water partition coefficient (logKow). However, earlier findings have shown that this correlation is not valid for some acetanilide and triazine herbicides. Thus, easily accessible quantitative structure-property relationship models are required to predict logKoc of analogues of the these compounds. Octanol/water partition coefficient, molecular weight and volume were calculated and then regressed against logKoc for two series of acetanilide and triazine herbicides using multiple linear regression, resulting in predictive and validated models.

Mononuclear, trinuclear, and hetero-trinuclear supramolecular complexes containing a new tri-sulfonate ligand and cobalt(II)/copper(II)-(1,10-phenanthroline)2 building blocks

International Nuclear Information System (INIS)

Yu Yunfang; Wei Yongqin; Broer, Ria; Sa Rongjian; Wu Kechen

2008-01-01

Novel mononuclear, trinuclear, and hetero-trinuclear supermolecular complexes, [Co(phen) 2 (H 2 O)(HTST)].2H 2 O (1), [Co 3 (phen) 6 (H 2 O) 2 (TST) 2 ].7H 2 O (2), and [Co 2 Cu(phen) 6 (H 2 O) 2 (TST) 2 ].10H 2 O (3), have been synthesized by the reactions of a new tri-sulfonate ligand (2,4,6-tris(4-sulfophenylamino)-1,3,5-triazine, H 3 TST) with the M 2+ (M=Co, Cu) and the second ligand 1,10-phenanthroline (phen). Complex 1 contains a cis-Co(II)(phen) 2 building block and an HTST as monodentate ligand; complex 2 consists of two TST as bidentate ligands connecting one trans- and two cis-Co(II)(phen) 2 building blocks; complex 3 is formed by replacing the trans-Co(II)(phen) 2 in 2 with a trans-Cu(II)(phen) 2 , which is the first reported hetero-trinuclear supramolecular complex containing both the Co(II)(phen) 2 and Cu(II)(phen) 2 as building blocks. The study shows the flexible multifunctional self-assembly capability of the H 3 TST ligands presenting in these supramolecular complexes through coordinative, H-bonding and even π-π stacking interactions. The photoluminescent optical properties of these complexes are also investigated and discussed as well as the second-order nonlinear optical properties of 1. - Graphical abstract: Novel mononuclear, trinuclear, and hetero-trinuclear supermolecular complexes, [Co(phen) 2 (H 2 O)(HTST)].2H 2 O (1), [Co 3 (phen) 6 (H 2 O) 2 (TST) 2 ].7H 2 O (2), and [Co 2 Cu(phen) 6 (H 2 O) 2 (TST) 2 ].10H 2 O (3), have been synthesized by the reactions of a new tri-sulfonate ligand (2,4,6-tris(4-sulfophenylamino)-1,3,5-triazine, H 3 TST) with the M 2+ (M=Co, Cu) and the second ligand 1,10-phenanthroline (phen). The study shows the flexible multifunctional self-assembly capability of H 3 TST ligand presenting in these supramolecular complexes

2-(5,6-Diphenyl-1,2,4-triazin-3-ylaniline

Directory of Open Access Journals (Sweden)

Mariusz Mojzych

2012-12-01

Full Text Available The title compound, C21H16N4, obtained under standard Suzuki cross-coupling conditions, is a model compound in the synthesis and biological activity evaluation of new aza-analogues of sildenafil containing a pyrazolo[4,3-e][1,2,4]triazine system. An N—H...N intramolecular hydrogen bond involving the aminobenzene system and the 1,2,4-triazine moiety helps to establish a near coplanar orientation of the rings with a dihedral angle of 12.04 (4°, which is believed to be necessary for the biological activity of sildenafil analogues. The 1,2,4-triazine ring is slightly distorted from planarity [r.m.s deviation = 0.0299 (11 Å] and forms dihedral angles of 58.60 (4 and 36.35 (3° with the pendant phenyl rings. The crystal packing features bifurcated N—H...(N,N hydrogen bonds linking screw-axis-related molecules into chains parallel to the [010] direction< and π–π interactions, with a centroid–centroid separation of 3.8722 (7 Å and a slippage of 1.412 (3 Å. The crystal studied was a nonmerohedral twin with a ratio of 0.707 (2:0293 (2.

Polystyrene Backbone Polymers Consisting of Alkyl-Substituted Triazine Side Groups for Phosphorescent OLEDs

OpenAIRE

Salert, Beatrice Ch. D.; Wedel, Armin; Grubert, Lutz; Eberle, Thomas; Anémian, Rémi; Krueger, Hartmut

2012-01-01

This paper describes the synthesis of new electron-transporting styrene monomers and their corresponding polystyrenes all with a 2,4,6-triphenyl-1,3,5-triazine basic structure in the side group. The monomers differ in the alkyl substitution and in the meta-/paralinkage of the triazine to the polymer backbone. The thermal and spectroscopic properties of the new electron-transporting polymers are discussed in regard to their chemical structures. Phosphorescent OLEDs were prepared using the obta...

Toxicity Assessment of Atrazine and Related Triazine Compounds in the Microtox Assay, and Computational Modeling for Their Structure-Activity Relationship

Directory of Open Access Journals (Sweden)

Jerzy Leszczynski

2000-10-01

Full Text Available The triazines are a group of chemically similar herbicides including atrazine, cyanazine, and propazine, primarily used to control broadleaf weeds. About 64 to 80 million lbs of atrazine alone are used each year in the United States, making it one of the two most widely used pesticides in the country. All triazines are somewhat persistent in water and mobile in soil. They are among the most frequently detected pesticides in groundwater. They are considered as possible human carcinogens (Group C based on an increase in mammary gland tumors in female laboratory animals. In this research, we performed the Microtox Assay to investigate the acute toxicity of a significant number of triazines including atrazine, atraton, ametryne, bladex, prometryne, and propazine, and some of their degradation products including atrazine desethyl, atrazine deisopropyl, and didealkyled triazine. Tests were carried out as described by Azur Environmental [1]. The procedure measured the relative acute toxicity of triazines, producing data for the calculation of triazine concentrations effecting 50% reduction in bioluminescence (EC50s. Quantitative structure-activity relationships (QSAR were examined based on the molecular properties obtained from quantum mechanical predictions performed for each compound. Toxicity tests yielded EC50 values of 39.87, 273.20, 226.80, 36.96, 81.86, 82.68, 12.74, 11.80, and 78.50 mg/L for atrazine, propazine, prometryne, atraton, atrazine desethyl, atrazine deisopropyl, didealkylated triazine, ametryne, and bladex, respectively; indicating that ametryne was the most toxic chemical while propazine was the least toxic. QSAR evaluation resulted in a coefficient of determination (r2 of 0.86, indicating a good value of toxicity prediction based on the chemical structures/properties of tested triazines.

A conceptual model for the understanding of fouling phenomenon when using triazine based H2S scavengers

DEFF Research Database (Denmark)

Madsen, Henrik Tækker; Søgaard, Erik Gydesen; Jensen, Carina

2013-01-01

-hydroxyethyl)-hexahydro-s-triazine and other triazines with hydroxy group functionality, the fouling has been found to be a dithiazine polymer, and the formation of this polymer has been explained by a model in which by products are formed alongside the general scavenging reaction. In this study we have...... studied the applicability of the previously suggested model to describe the reaction between 1,3,5-tri-(2-hydroxypropyl)-hexahydro-s-triazine and H2S. To investigate the reaction system, electrospray ionization mass spectrometry (ESI-MS) has been employed to analyse the composition of the generated...

Adsorption of metal ions and acid dyes on brewer's refuse and its crosslinked products; Biru shikomikasu oyobi sono kashikaketai ni taisuru kinzoku ion oyobi sansei senryo no kyuchaku

Energy Technology Data Exchange (ETDEWEB)

Shimizu, Y.; Kubota, Y.; Higashimura, T. [The University of Shiga Prefecture, Shiga (Japan). Department of Materials Sceince; Kawaguchi, M. [Seisui Kogyo Ltd., Osaka (Japan)

2000-01-10

To use brewer's refuse as adsorbent adsorption of metal ions and acid dyes on them and their reaction products with 1,3,5-triacryloylhexahydro-1,3,5-triazine(TAF) were examined. The refuse samples used in the present study are protein rich fraction(Pr) and cellulosics rich fraction(Hr) obtained by sifting brewer's refuse. Adsorptive experiments were conducted by a batchwise method at 303 K. Pr adsorbed more metal ions such as Cr{sup 6+}, Ni{sup 2+}, Co{sup 2+}, especially Fe{sup 3+}, Hg{sup 2+} and Cu{sup 2+} than Hr. But both refuses hardly adsorbed Ca{sup 2+}. Also Pr adsorbed more acid dyes, especially more hydrophobic C. I. Acid Red 88 than C. I. Acid Orange 7- than Hr at pH 5. By crosslinking Pr and Hr using TAF adsorption of acid dyes increased markedly, but adsorption of metal ions decreased. Therefore Pr can be used as adsorbent for acid dyes and metal ions as it is. Moreover the crosslinked products are excellent adsorbents for acid dyes. (author)

1,3,5-Triazine-based analogues of purine: from isosteres to privileged scaffolds in medicinal chemistry.

Science.gov (United States)

Lim, Felicia Phei Lin; Dolzhenko, Anton V

2014-10-06

Purines can be considered as the most ubiquitous and functional N-heterocyclic compounds in nature. Structural modifications of natural purines, particularly using isosteric ring systems, have been in the focus of many drug discovery programs. Fusion of 1,3,5-triazine ring with pyrrole, pyrazole, imidazole, 1,2,3-triazole or 1,2,4-triazole results in seven bicyclic heterocyclic systems isosteric to purine. Application of the isosterism concept for the development of new compounds with therapeutic potential in areas involving purinergic regulation or purine metabolism led to significant advances in medicinal chemistry of the azolo[1,3,5]triazines. These 1,3,5-triazine-based purine-like scaffolds significantly increase level of molecular diversity and allow covering chemical space in the important areas of medicinal chemistry. Some of these azolo[1,3,5]triazine systems have become privileged scaffolds in the development of inhibitors of various kinases, phosphodiesterase, xanthine oxidase, and thymidine phosphorylase, antagonists of adenosine and corticotropin-releasing hormone receptors, anticancer and antiviral agents. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

Studies on the complexes of some triphenylmethane dyes with chromium, molybdenum and tungsten

Energy Technology Data Exchange (ETDEWEB)

Malik, W U; Bembi, Ramesh; Bhargava, P P; Singh, R [Roorkee Univ. (India). Dept. of Chemistry

1978-01-01

Crystal violet, malachite green and fuchsine react with potassium chromate, sodium molybdate and sodium tungstate in 1N H/sub 2/SO/sub 4/ give 1:1 metal ligand complexes. However, in the case of chromate only an addition product with these cationic dyes is obtained. Infrared spectra of the isolated complexes show that the dyes are bound to the metal through the nitrogen atom.

Spatial distribution of triazine residues in a shallow alluvial aquifer linked to groundwater residence time.

Science.gov (United States)

Sassine, Lara; Le Gal La Salle, Corinne; Khaska, Mahmoud; Verdoux, Patrick; Meffre, Patrick; Benfodda, Zohra; Roig, Benoît

2017-03-01

At present, some triazine herbicides occurrence in European groundwater, 13 years after their use ban in the European Union, remains of great concern and raises the question of their persistence in groundwater systems due to several factors such as storage and remobilization from soil and unsaturated zone, limited or absence of degradation, sorption in saturated zones, or to continuing illegal applications. In order to address this problem and to determine triazine distribution in the saturated zone, their occurrence is investigated in the light of the aquifer hydrodynamic on the basis of a geochemical approach using groundwater dating tracers ( 3 H/ 3 He). In this study, atrazine, simazine, terbuthylazine, deethylatrazine, deisopropylatrazine, and deethylterbuthylazine are measured in 66 samples collected between 2011 and 2013 from 21 sampling points, on the Vistrenque shallow alluvial aquifer (southern France), covered by a major agricultural land use. The frequencies of quantification range from 100 to 56 % for simazine and atrazine, respectively (LQ = 1 ng L -1 ). Total triazine concentrations vary between 15 and 350 ng L -1 and show three different patterns with depth below the water table: (1) low concentrations independent of depth but related to water origin, (2) an increase in concentrations with depth in the aquifer related to groundwater residence time and triazine use prior to their ban, and (3) relatively high concentrations at low depths in the saturated zone more likely related to a slow desorption of these compounds from the soil and unsaturated zone. The triazine attenuation rate varies between 0.3 for waters influenced by surface water infiltration and 4.8 for water showing longer residence times in the aquifer, suggesting an increase in these rates with water residence time in the saturated zone. Increasing triazine concentrations with depth is consistent with a significant decrease in the use of these pesticides for the last 10 years on

Versatile ruthenium(II) dye towards blue-light emitter and dye-sensitizer for solar cells

Science.gov (United States)

Zanoni, Kassio P. S.; Amaral, Ronaldo C.; Murakami Iha, Neyde Y.; Abreu, Felipe D.; de Carvalho, Idalina M. M.

2018-06-01

A versatile Ru(II) complex bearing an anthracene moiety was synthesized in our search for suitable compounds towards efficient molecular devices. The new engineered dye, cis‑[Ru(dcbH2)(NCS)2(mbpy‑anth)] (dcbH2 = 2,2‧‑bipyridyl‑4,4‧‑dicarboxylic acid, mbpy‑anth = 4‑[N‑(2‑anthryl)carbamoyl]‑4‧‑methyl‑2,2‧‑bipyridine), exhibits a blueish emission in a vibronically structured spectrum ascribed to the fluorescence of a 1LCAnth (ligand centered) excited state in the anthracene and has a potential to be exploited in the fields of smart lighting and displays. This complex was also employed in dye-sensitized solar cells with fairly efficient solar energy conversion with the use of self-assembled TiO2 compact layers beneath the TiO2 mesoporous film to prevent meso‑TiO2/dye back reactions. Further photoelectrochemical investigations through incident photon-to-current efficiency and electrochemical impedance spectra showed that the all-nano-TiO2 compact layer acts as contact layers that increase the electron harvesting in the external circuit, enhancing efficiencies up to 50%.

Prediction of the retention of s-triazines in reversed-phase high-performance liquid chromatography under linear gradient-elution conditions.

Science.gov (United States)

D'Archivio, Angelo Antonio; Maggi, Maria Anna; Ruggieri, Fabrizio

2014-08-01

In this paper, a multilayer artificial neural network is used to model simultaneously the effect of solute structure and eluent concentration profile on the retention of s-triazines in reversed-phase high-performance liquid chromatography under linear gradient elution. The retention data of 24 triazines, including common herbicides and their metabolites, are collected under 13 different elution modes, covering the following experimental domain: starting acetonitrile volume fraction ranging between 40 and 60% and gradient slope ranging between 0 and 1% acetonitrile/min. The gradient parameters together with five selected molecular descriptors, identified by quantitative structure-retention relationship modelling applied to individual separation conditions, are the network inputs. Predictive performance of this model is evaluated on six external triazines and four unseen separation conditions. For comparison, retention of triazines is modelled by both quantitative structure-retention relationships and response surface methodology, which describe separately the effect of molecular structure and gradient parameters on the retention. Although applied to a wider variable domain, the network provides a performance comparable to that of the above "local" models and retention times of triazines are modelled with accuracy generally better than 7%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Large-Scale Membrane- and Lignin-Modified Adsorbent-Assisted Extraction and Preconcentration of Triazine Analogs and Aflatoxins

OpenAIRE

Hu, Shun-Wei; Chen, Shushi

2017-01-01

The large-scale simultaneous extraction and concentration of aqueous solutions of triazine analogs, and aflatoxins, through a hydrocarbon-based membrane (e.g., polyethylene, polyethylene/polypropylene copolymer) under ambient temperature and atmospheric pressure is reported. The subsequent adsorption of analyte in the extraction chamber over the lignin-modified silica gel facilitates the process by reducing the operating time. The maximum adsorption capacity values for triazine analogs and af...

Sorption of organophosphate and triazine agrochemicals on biochars and soils

Science.gov (United States)

Biochars are known to strongly sorb polar and nonpolar organic compounds, and biochar soil amendment can have counteracting impacts on the efficacy of, and runoff contamination by agrochemicals. This study investigated the sorption-desorption isotherms and kinetics of triazine (deisopropylatrazine)...

Cytogenetic studies of three triazine herbicides. I. In vitro studies

Science.gov (United States)

Atrazine, simazine, and cyanazine are widely used pre-emergence and post-emergence triazine herbicides that have made their way into the potable water supply of many agricultural communities. Because of this and the prevalence of contradictory cytogenetic studies in the literatur...

2, 4, 6-Trithiol-1, 3, 5-Triazine-Modified Gold Nanoparticles and Its Potential as Formalin Detector

Science.gov (United States)

Yulizar, Y.; Ariyanta, H. A.; Rakhmania, L.; Hafizah, M. A. E.

2018-04-01

Stabilized gold nanoparticles (AuNP) have been successfully prepared by a modification of ligand 2, 4, 6-trithiol-1, 3, 5-triazine (TT). TT has three thiol groups and nitrogen atoms on the aromatic ring that can interact and stabilize AuNP. TT modified AuNP (AuNP/TT) was characterized using UV-Vis spectrophotometer, particle size analyzer (PSA) and transmission electron microscopy (TEM). The characterization showed that AuNP/TT stable at a maximum wavelength (λmaks) of 537 nm with the particle diameter of 9.41 nm. The increased acidity (pH) causes the protonated thiol groups of TT marked with a visual change of colloidal AuNP/TT from purple to blue, causing AuNP and TT bonds weakened. In this study, the AuNP/TT was reacted with formalin. This interaction shows that AuNP/TT has a potential as an efficient detector of formalin, marked by changes in the diameter of the particle, colloidal color, and maximum wavelength shift.

Analysis of protein stability and ligand interactions by thermal shift assay.

Science.gov (United States)

Huynh, Kathy; Partch, Carrie L

2015-02-02

Purification of recombinant proteins for biochemical assays and structural studies is time-consuming and presents inherent difficulties that depend on the optimization of protein stability. The use of dyes to monitor thermal denaturation of proteins with sensitive fluorescence detection enables rapid and inexpensive determination of protein stability using real-time PCR instruments. By screening a wide range of solution conditions and additives in a 96-well format, the thermal shift assay easily identifies conditions that significantly enhance the stability of recombinant proteins. The same approach can be used as an initial low-cost screen to discover new protein-ligand interactions by capitalizing on increases in protein stability that typically occur upon ligand binding. This unit presents a methodological workflow for small-scale, high-throughput thermal denaturation of recombinant proteins in the presence of SYPRO Orange dye. Copyright © 2015 John Wiley & Sons, Inc.

Sample clean-up, enrichment and determination of s-triazine herbicides from southern ethiopian lakes supported using liquid membrane extraction

Directory of Open Access Journals (Sweden)

Jan Åke Jönsson

2000-06-01

Full Text Available The liquid membrane extraction method has been employed for selectively extracting trace quantities of s-triazine herbicides in environmental waters collected from lakes Awassa, Chamo and Abbya, located in close proximity to the agricultural farms in Southern Ethiopia. In liquid membrane extraction, the uncharged triazine compounds from the flowing donor solution diffuse through a porous poly(tetrafluoroethylene (PTFE membrane, containing a water immiscible organic solvent. The s-triazine molecules are then irreversibly trapped in the stagnant acidic acceptor phase since they become protonated. Using both di-n-hexylether and n-undecane membrane solvents, s-traizine herbicides were extracted and low detection limits of about 1 ng/L have been obtained by extraction of three liters of sample solution spiked with 0.1 g/L of each triazine. Residues of atrazine and terbutryn ranging in concentration from 0.02 to 0.05 g/L have been successfully determined.

Syntheses, structures and properties of two new coordination polymers based on D-camphoric acid and 2-phenyl-4,6-diamino-1,3,5-triazine

Energy Technology Data Exchange (ETDEWEB)

Lun, Huijie; Yang, Jinghe; Jin, Linyu; Cui, Sasa; Bai, Yanlong [Henan Key Laboratory of Polyoxometalate, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhang, Xudong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Li, Yamin, E-mail: liyamin@henu.edu.cn [Henan Key Laboratory of Polyoxometalate, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

2015-05-15

By hydrothermal method, two new coordination polymers [Co(ca)(phdat)]{sub n} (1), [Ni(ca)(phdat).0.125H{sub 2}O]{sub n} (2) (H{sub 2}ca=D-camphoric acid, phdat=2-phenyl-4,6-diamino-1,3,5-triazine) have been achieved and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. The X-ray single-crystal diffraction reveals that compounds 1 and 2 are isostructural, both of which exhibit two-dimensional layered network built up from paddle-wheel Co{sub 2}(CO{sub 2}){sub 4}/Ni{sub 2}(CO{sub 2}){sub 4} SBUs by ca{sup 2−} ligand. In the existence of π…π stacking interactions between triazine rings and phenyl rings, the 3D networks are constructed with the hanging phdat filled between the neighboring layers. Furthermore, compounds 1–2 exhibit antiferromagnetic behavior and compound 2 displays a good activity for methanol oxidation. - Graphical abstract: Two new coordination compounds 1–2 have been synthesized and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses, thermogravimetric analyses, magnetic and electrochemical measurement. - Highlights: • This paper reports two new coordination polymers based on D-camphoric acid. • Both the compounds feather two-dimensional layered networks built up from paddle-wheel SBUs. • The magnetism and electrochemical property are investigated.

Rapid and selective adsorption of cationic dyes by a unique metal-organic framework with decorated pore surface

Science.gov (United States)

Zhang, Jie; Li, Fan; Sun, Qian

2018-05-01

Organic dye pollutants become a big headache due to their toxic nature to the environment, and it should be one of the best solutions if we can remove and separate them. Here, a metal-organic framework (MOF) (denoted as Zn-MOF) with carbonyl group based on fluorenone-2,7-dicarboxylate ligand, was directly synthesized without post-synthesis method and applied to selectively absorb cationic dyes such as MB, CV, RhB from aqueous solution, while anionic or neutral dyes were excluded. Characterization of the Zn-MOF was achieved by X-ray diffraction, scanning electron microscope, Fourier transform infrared spectrometry and elemental analysis. The Zn-MOF mainly possesses open pore channels, high surface area, big pore volume, and most important, the pore surface is furnished with carbonyl groups arising from the ligand and pointing toward the centers of the large chambers of the framework, which are benefit for the adsorption of the cationic dyes. The MB maximum adsorption capacities can attain 326 mg g-1, which is probably due to the suitable pore size, higher solvent-accessible void, and the prominent adsorption capacity of the mesoporous material. The dye adsorption process for the material is proven to be charge-selective and size-selective, and the adsorption isotherms, as well as kinetics characteristic of dye adsorption onto the Zn-MOF were also investigated.

Synthesis of Novel Homo-N-Nucleoside Analogs Composed of a Homo-1,4-Dioxane Sugar Analog and Substituted 1,3,5-Triazine Base Equivalents

Directory of Open Access Journals (Sweden)

Qiang Yu

2008-12-01

Full Text Available Enantioselective syntheses from dimethyl tartrate of 1,3,5-triazine homo-N-nucleoside analogs, containing a 1,4-dioxane moiety replacing the sugar unit in natural nucleosides, were accomplished. The triazine heterocycle in the nucleoside analogs was further substituted with combinations of NH2, OH and Cl in the 2,4-triazine positions.

Affinity composite cryogel discs functionalized with Reactive Red 120 and Green HE 4BD dye ligands: Application on the separation of human immunoglobulin G subclasses

Energy Technology Data Exchange (ETDEWEB)

Huseynli, Sabina; Baydemir, Gözde; Sarı, Esma [Department of Chemistry, Biochemistry Division, Hacettepe University, Ankara (Turkey); Elkak, Assem [Laboraory of “Valorisation des Ressources Naturelles et Produits de Santé (VRNPS)”, Doctoral School of Sciences and Technology, Lebanese University, Rafic Hariri University Campus, Hadath (Lebanon); Denizli, Adil, E-mail: denizli@hacettepe.edu.tr [Department of Chemistry, Biochemistry Division, Hacettepe University, Ankara (Turkey)

2015-01-01

Naturally produced by the human immune system, immunoglobulin nowadays is widely used for in vivo and in vitro purposes. The increased needs for pure immunoglobulin have prompted researchers to find new immunoglobulin chromatographic separation processes. Cryogels as chromatographic adsorbents, congregate several mechanical features including good compatibility, large pore structure, flexibility, short diffusion pathway and stability. These different characteristics make them a good alternative to conventional chromatographic methods and allowing their potential use in separation technology. In the present study, two sets of poly(2-hydroxyethyl methacrylate) (PHEMA) based beads were prepared and functionalized with Reactive Red 120 (RR) and Reactive Green HE 4BD (RG) dyes, and then embedded into supermacroporous cryogels. The morphology, physical and chemical features of the prepared bead embedded composite cryogel discs (CCDs) were performed by scanning electron microscopy (SEM), swelling test, elemental analysis and Fourier transform infrared spectroscopy (FTIR). The results showed that the embedded composite cryogel discs have a specific surface area of 192.0 m{sup 2}/g with maximum adsorption capacity of HIgG 239.8 mg/g for the RR functionalized CCD and 170 mg/g for RG functionalized CCD columns, both at pH 6.2. - Highlights: • Dye attached composite cryogel discs were prepared to separate HIgG subclasses. • Composite cryogels characterized by swelling, FTIR, SEM and elemental analysis. • Reactive Green HE 4B and Reactive Red 120 dyes were used as the affinity ligand. • HIgG and subclasses were separate from both aqueous solution and human plasma.

Affinity composite cryogel discs functionalized with Reactive Red 120 and Green HE 4BD dye ligands: Application on the separation of human immunoglobulin G subclasses

International Nuclear Information System (INIS)

Huseynli, Sabina; Baydemir, Gözde; Sarı, Esma; Elkak, Assem; Denizli, Adil

2015-01-01

Naturally produced by the human immune system, immunoglobulin nowadays is widely used for in vivo and in vitro purposes. The increased needs for pure immunoglobulin have prompted researchers to find new immunoglobulin chromatographic separation processes. Cryogels as chromatographic adsorbents, congregate several mechanical features including good compatibility, large pore structure, flexibility, short diffusion pathway and stability. These different characteristics make them a good alternative to conventional chromatographic methods and allowing their potential use in separation technology. In the present study, two sets of poly(2-hydroxyethyl methacrylate) (PHEMA) based beads were prepared and functionalized with Reactive Red 120 (RR) and Reactive Green HE 4BD (RG) dyes, and then embedded into supermacroporous cryogels. The morphology, physical and chemical features of the prepared bead embedded composite cryogel discs (CCDs) were performed by scanning electron microscopy (SEM), swelling test, elemental analysis and Fourier transform infrared spectroscopy (FTIR). The results showed that the embedded composite cryogel discs have a specific surface area of 192.0 m 2 /g with maximum adsorption capacity of HIgG 239.8 mg/g for the RR functionalized CCD and 170 mg/g for RG functionalized CCD columns, both at pH 6.2. - Highlights: • Dye attached composite cryogel discs were prepared to separate HIgG subclasses. • Composite cryogels characterized by swelling, FTIR, SEM and elemental analysis. • Reactive Green HE 4B and Reactive Red 120 dyes were used as the affinity ligand. • HIgG and subclasses were separate from both aqueous solution and human plasma

Degradation of Triazine-2-(14C Metsulfuron-Methyl in Soil from an Oil Palm Plantation.

Directory of Open Access Journals (Sweden)

B S Ismail

Full Text Available Triazine-2-(14C metsulfuron-methyl is a selective, systemic sulfonylurea herbicide. Degradation studies in soils are essential for the evaluation of the persistence of pesticides and their breakdown products. The purpose of the present study was to investigate the degradation of triazine-2-(14C metsulfuron-methyl in soil under laboratory conditions. A High Performance Liquid Chromatograph (HPLC equipped with an UV detector and an on-line radio-chemical detector, plus a Supelco Discovery column (250 x 4.6 mm, 5 μm, and PRP-1 column (305 x 7.0 mm, 10 μm was used for the HPLC analysis. The radioactivity was determined by a Liquid Scintillation Counter (LSC in scintillation fluid. The soil used was both sterilized and non-sterilized in order to observe the involvement of soil microbes. The estimated DT50 and DT90 values of metsulfuron-methyl in a non-sterile system were observed to be 13 and 44 days, whereas in sterilized soil, the DT50 and DT90 were 31 and 70 days, respectively. The principal degradation product after 60 days was CO2. The higher cumulative amount of (14CO2 in (14C-triazine in the non-sterilized soil compared to that in the sterile system suggests that biological degradation by soil micro-organisms significantly contributes to the dissipation of the compound. The major routes of degradation were O-demethylation, sulfonylurea bridge cleavage and the triazine "ring-opened."

In Vitro Polarized Resonance Raman Study of N719 and N719-TBP in Dye Sensitized Solar Cells

DEFF Research Database (Denmark)

Hassing, Søren; Jernshøj, Kit Drescher; Nguyen, Phuong Tuyet

2016-01-01

Abstract: The working efficiency of dye-sensitized solar cells (DSCs) depends on the long-term stability of the dye itself and on the microscopic structure of the dye-semiconductor interface. Previous experimental studies of DSCs based on ruthenium dye with bipyridine ligands (N719) adsorbed...... to the TiO2substrate applied FTIR,un-polarized Raman (RS) and un-polarized resonance Raman (RRS) spectroscopy. In the un-polarized RRS studies of N719/TiO2 – DSCs the discussion of the adsorption of N719 was based on the rather weak carbonyl or carboxyl group stretching vibrations and on minor spectral...

Magnetic solid-phase extraction of triazine herbicides from rice using metal-organic framework MIL-101(Cr) functionalized magnetic particles.

Science.gov (United States)

Liang, Li; Wang, Xinghua; Sun, Ying; Ma, Pinyi; Li, Xinpei; Piao, Huilan; Jiang, Yanxiao; Song, Daqian

2018-03-01

The metal-organic framework (MOF) functionalized magnetic graphene oxide/mesoporous silica composites (Fe 3 O 4 @SiO 2 -GO/MIL-101(Cr)) were synthesized and utilized as magnetic solid-phase extraction (MSPE) adsorbent for the extraction of seven triazine herbicides (terbuthylazine, secbumeton, terbumeton, atraton, atrazine, prometon and trietazine) in rice samples. Several experimental parameters, including type and volume of extraction solvent, amount of MIL-101(Cr), extraction time, volume of desorption solvent and desorption time were investigated and optimized. The limits of detection (LODs) of seven triazine herbicides obtained by using the proposed MSPE method combined with high performance liquid chromatography (HPLC) were in the range of 0.010-0.080µgkg -1 . The recoveries of the triazine herbicides in spiked rice samples ranged from of 83.9-103.5% with the relative standard deviations lower than 8.7%. The intra and inter-day (n = 6) precisions for all triazine herbicides at the spiked level of 100.0µgkg -1 were 1.4-5.9% and 2.6-7.8%, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

A Neutron Scattering Study of Phonons in Per-Deuterated S-Triazine

DEFF Research Database (Denmark)

Doue, M. T.; Heilmann, I. U.; Kjems, Jørgen

1983-01-01

The lattice dynamics of a fully-deuterated single crystal of s-triazine is investigated using the technique of coherent inelastic neutron scattering. Detailed measurements of the temperature dependence of the dispersion of the soft acoustic mode associated with the ferroelastic phase transition...

Influence of s-Triazines on Some Enzymes of Carbohydrates and Nitrogen Metabolism in Leaves of Pea (Pisum sativum L.) and Sweet Corn (Zea mays L.)

Science.gov (United States)

Wu, M. T.; Singh, B.; Salunkhe, D. K.

1971-01-01

Foliar applications of 2 milligrams per liter of 2-chloro-4,6-bis (ethylamino)-s-triazine, 2-methylmercapto-4-ethylamino-6-isobutylamino-s-triazine, and 2-methoxy-4-isopropylamino-6-butylamino-s-triazine caused increases in the activities of starch phosphorylase, pyruvate kinase, cytochrome oxidase, and glutamate dehydrogenase 5, 10, and 15 days after treatment in the leaves of 3-week-old seedlings of pea (Pisum sativum L.) and sweet corn (Zea mays L.). The results indicate that sublethal concentrations of s-triazine compounds affect the physiological and biochemical events in plants which favor more utilization of carbohydrates for nitrate reduction and synthesis of amino acids and proteins. PMID:16657830

1,3,5-Triazine-2,4,6-triyltrisulfamic acid (TTSA)

Indian Academy of Sciences (India)

Melamine reacted with chlorosufonic acid (ClSO3H) to form a new sulfamic-type acid, 1,3,5-triazine-2,4,6-triyltrisulfamic acid (TTSA). Both nitrosation of secondary amines and oxidation of urazoles were accomplished by using TTSA/NaNO2 system under mild and heterogeneous conditions with good to excellent yields.

Microwave Assisted Synthesis of Some New Fused 1,2,4-Triazines Bearing Thiophene Moieties With Expected Pharmacological Activity

Directory of Open Access Journals (Sweden)

Mosselhi A. Mosselhi

2011-06-01

Full Text Available Rapid and efficient solvent-free synthesis of 4-amino-3-mercapto-6-[2-(2-thienylvinyl]-1,2,4-triazin-5(4H-one 1 under microwave irradiation is described. Some new fused heterobicyclic nitrogen systems such as 1,2,4-triazino[3,4-b][1,3,4]thiadiazinones, 1,3,4-thiadiazolo[2,3-c][1,2,4]triazinone and pyrazolo[5,1-c]-[1,2,4]triazine-7-carbonitrile, have been synthesized by treatment of 1 with bifunctional oxygen and halogen compounds, CS2/KOH and malononitrile via heterocyclization reactions, in addition to some uncondensed triazines. Structures of the products have been deduced from their elemental analysis and spectral data (IR, 1H-NMR, 13C-NMR. Select new synthesized compounds were screened as anticancer agents, with some showing activity as cytotoxic agents against different cancer cell lines.

Identification of a new Irgarol-1051 related s-triazine species in coastal waters

International Nuclear Information System (INIS)

Lam, K.-H.; Cai Zongwei; Wai, H.-Y.; Tsang, Vic W.-H.; Lam, Michael H.-W.; Cheung, Richard Y.-H.; Yu Hongxia; Lam, Paul K.-S.

2005-01-01

A previously unknown s-triazine species present in commercially available Irgarol-1051, a booster biocide additive in copper-based antifouling paints for the replacement of organotin-based antifoulants, has been identified in the coastal aquatic environment. After careful isolation, purification and characterization by high resolution MS-MS and 1 H NMR, the molecular structure of that unknown species is found to be N,N'-di-tert-butyl-6-methylthiol-s-triazine-2,4-diamine (designated as M3). Levels of Irgarol-1051, its major degradation product (M1) and the newly identified M3 in the coastal waters of Hong Kong, one of the world's busiest ports located in the southern coast of China, were monitored by SPME-GC-MS and SPME-GC-FID. Water samples from five locations within Hong Kong waters were analysed and the levels of Irgarol-1051, M1 and M3 were found to be 0.1-1.6 μg l -1 , 36.8-259.0 μg l -1 and 0.03-0.39 μg l -1 , respectively. Our results indicate that M3 is relatively stable against photo-and bio-degradation and may pose considerable risk to primary producer communities in the coastal marine environment. - An s-triazine species resists degradation and may be a chemical risk for marine coastal communities

Dye Sensitized Solar Cell, DSSC

Directory of Open Access Journals (Sweden)

Pongsatorn Amornpitoksuk

2003-07-01

Full Text Available A dye sensitized solar cell is a new type of solar cell. The operating system of this solar cell type is similar to plant’s photosynthesis process. The sensitizer is available for absorption light and transfer electrons to nanocrystalline metal oxide semiconductor. The ruthenium(II complexes with polypyridyl ligands are usually used as the sensitizers in solar cell. At the present time, the complex of [Ru(2,2',2'’-(COOH3- terpy(NCS3] is the most efficient sensitizer. The total photon to current conversion efficiency was approximately 10% at AM = 1.5.

Polystyrene Backbone Polymers Consisting of Alkyl-Substituted Triazine Side Groups for Phosphorescent OLEDs

Directory of Open Access Journals (Sweden)

Beatrice Ch. D. Salert

2012-01-01

Full Text Available This paper describes the synthesis of new electron-transporting styrene monomers and their corresponding polystyrenes all with a 2,4,6-triphenyl-1,3,5-triazine basic structure in the side group. The monomers differ in the alkyl substitution and in the meta-/paralinkage of the triazine to the polymer backbone. The thermal and spectroscopic properties of the new electron-transporting polymers are discussed in regard to their chemical structures. Phosphorescent OLEDs were prepared using the obtained electron-transporting polymers as the emissive layer material in blend systems together with a green iridium-based emitter 13 and a small molecule as an additional cohost with wideband gap characteristics (CoH-001. The performance of the OLEDs was characterized and discussed in regard to the chemical structure of the new electron-transporting polymers.

Physiological Responses to N-NO3 and N-NH4 of Triazine Resistant and Susceptible Plants of Horseweed (Erigeron canadensis L.

Directory of Open Access Journals (Sweden)

Ryszard Stanek

2013-12-01

Full Text Available Triazine resistant and susceptible biotypes of horseweed (Erigeron canadensis L. were grown under controlled conditions in nutrient solution with NH4 or NO3 ions as nitrogen source. Indicators such as: dry matter, CO2 assimilation, chloroplasts activity, dark respiration and the content of K, Ca, Mg in the above ground parts displayed lower levels when plants were fed with NH4 than with NO ions. Reduction of these indicators was stronger for the triazine susceptible plants which grew better than their resistant counterparts when fed with N-NO3. The triazine resistant plants grown with N-NH4 contained more protein-N and K than the susceptible ones. Chloroplasts of the resistant plants were also less sensitive to NH4CL treatment. It is concluded that the resistant plants appear to be more tolerant to NH4 ions as compared with their susceptible counterparts. For this reason application of ammonium forms of nitrogen fertilization in horticultural practice could favour spreading of triazine resistant horseweed.

Crystal structure of 4,6-diamino-2,2-dimethyl-3-[3-(2,4,5-trichlorophenoxypropoxy]-2,3-dihydro-1,3,5-triazin-1-ium chloride methanol monosolvate

Directory of Open Access Journals (Sweden)

Pattarapol Khongsuk

2015-08-01

Full Text Available In the title methanol-solvated salt, C14H19Cl3N5O2+·Cl−·CH3OH, the triazine molecule is protonated at one of the triazine N atoms. In the crystal, the triazine cations are linked through a pair of N—H...N hydrogen bonds, with graph-set R22(8, forming an inversion dimer. The protonated N atom and the 2- and 4-amino groups of the triazine cation interact with the chloride anion through N—H...Cl hydrogen bonds, leading to the formation of a tape structure running along the b-axis direction. A short Cl...Cl contact [3.2937 (9 Å] is observed in the tape. The methanol molecule is linked to the chloride anion and the triazine cation, respectively, by an O—H...Cl hydrogen bond and a C—H...O interaction.

The effect of triazine - and urea - type herbicides on photosynthetic apparatus in cucumber leaves

Directory of Open Access Journals (Sweden)

Jolanta Jerzykiewicz

2011-01-01

Full Text Available About a half of the herbicides used at present in agnculture inhibit the light reactions in photosynthesis. Triazines and phenylureas shut down the photosynthetic process in susceptible plants by binding to specific sites within the plants photosystem II (PS II complex. Both of them bind at the QB site on the Dl protein of PS II, and prevent the transport of electrons between the primary electron acceptor Q and the plastoquinone (PQ. Herbicides can be highly toxic to human and animal health (triazines are possible human carcinogens. Their indiscriminate use has serious environmental implications, for example pollution of soil and water. We compare two heibicides to investigate the one of lowest environmental toxicity but of high toxicity to weeds.

New type of transformation of a 1,2,4-triazine ring to pyrazine derivatives

International Nuclear Information System (INIS)

Alekseev, S.G.; Charushin, V.N.; Chupakhin, O.N.

1987-01-01

We have discovered a new type of transformation of a triazine ring in which the l-ethyl-1,2,4-triazine cation participates. It has been established that the cation reacts at 20 0 C with ortho-phenylenediamine (in methylene chloride) and 5,6-diaminopyrimidin-4-one (in 9:1 ethanol-DMF) with the formation of quinoxaline (yield 43%) and pteridin-4-one (yield 23%). This transformation is based on the susceptibility of the cation to bi-addition of nucleophiles and proceeds via cyclic adducts which are then aromatized on account of separation of 3-morpholinoamidrazone. The reaction products were identified by comparison of their melting points and spectroscopic characteristics (NMR, mass-spectra) with those of samples whose structure is definitely known

Hollow nanoporous covalent triazine frameworks via acid vapor-assisted solid phase synthesis for enhanced visible light photoactivity

KAUST Repository

Huang, Wei

2016-04-11

Herein, we report a novel trifluoromethanesulfonic acid vapor-assisted solid phase synthetic method to construct nanoporous covalent triazine frameworks with highly ordered hollow interconnected pores under mild reaction conditions. This unique solid state synthetic route allows not only the avoidance of undesired side reactions caused by traditional high temperature synthesis, but also the maintaining of defined and precise optical and electronic properties of the nonporous triazine frameworks. Promising photocatalytic activity of the polytriazine networks was demonstrated in the photoreduction reaction of 4-nitrophenol into 4-aminophenol under visible light irradiation.

Hollow nanoporous covalent triazine frameworks via acid vapor-assisted solid phase synthesis for enhanced visible light photoactivity

KAUST Repository

Huang, Wei; Wang, Zi Jun; Ma, Beatriz Chiyin; Ghasimi, Saman; Gehrig, Dominik; Laquai, Fré dé ric; Landfester, Katharina; Zhang, Kai A. I.

2016-01-01

Herein, we report a novel trifluoromethanesulfonic acid vapor-assisted solid phase synthetic method to construct nanoporous covalent triazine frameworks with highly ordered hollow interconnected pores under mild reaction conditions. This unique solid state synthetic route allows not only the avoidance of undesired side reactions caused by traditional high temperature synthesis, but also the maintaining of defined and precise optical and electronic properties of the nonporous triazine frameworks. Promising photocatalytic activity of the polytriazine networks was demonstrated in the photoreduction reaction of 4-nitrophenol into 4-aminophenol under visible light irradiation.

Micellar electrokinetic chromatographic determination of triazine herbicides in water samples.

Science.gov (United States)

Li, Zhi; Zhang, Shuaihua; Yin, Xiaofang; Wang, Chun; Wang, Zhi

2014-09-01

Dispersive liquid-liquid microextraction combined with online sweeping preconcentration in micellar electrokinetic chromatography was developed for the simultaneous determination of five triazine herbicides (atrazine, simazine, propazine, prometon and simetryn) in water samples. Several experimental parameters affecting the extraction efficiencies such as the type and volume of both the extraction and dispersive solvents, the addition of salt to sample solution, the extraction time and the pH of the sample solution were investigated. Under optimum conditions, the linearity of the method was good in the range from 0.33 to 20 ng mL(-1) for simazine, propazine, atrazine and simetryn, and from 0.17 to 20 ng mL(-1) for prometon, respectively. The sensitivity enrichment factors were in the range from 1750 to 2100, depending on the compound. The limit of detection (S/N = 3) ranged from 0.05 to 0.10 ng mL(-1). The developed method was successfully applied to the analysis of the five triazines in river, ground and well waters. © The Author [2013]. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Dimerization of Organic Dyes on Luminescent Gold Nanoparticles for Ratiometric pH Sensing.

Science.gov (United States)

Sun, Shasha; Ning, Xuhui; Zhang, Greg; Wang, Yen-Chung; Peng, Chuanqi; Zheng, Jie

2016-02-12

Synergistic effects arising from the conjugation of organic dyes onto non-luminescent metal nanoparticles (NPs) have greatly broadened their applications in both imaging and sensing. Herein, we report that conjugation of a well-known pH-insensitive dye, tetramethyl-rhodamine (TAMRA), to pH-insensitive luminescent gold nanoparticles (AuNPs) can lead to an ultrasmall nanoindicator that can fluorescently report local pH in a ratiometric way. Such synergy originated from the dimerization of TAMRA on AuNPs, of which geometry was very sensitive to surface charges of the AuNPs and can be reversely modulated through protonation of surrounding glutathione ligands. Not limited to pH-insensitive dyes, this pH-dependent dimerization can also enhance the pH sensitivity of fluorescein, a well-known pH-sensitive dye, within a larger pH range, opening up a new pathway to design ultrasmall fluorescent ratiometric nanoindicators with tunable wavelengths and pH response ranges. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate

Directory of Open Access Journals (Sweden)

Bohari M. Yamin

2012-05-01

Full Text Available The title compound, C4H8N5+·C2HO4−, was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1 Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1 Å for both carbonyl O atoms. In the crystal, the ions are linked by intermolecular N—H...O, N—H...N, O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network. Weak π–π [centroid–centroid distance = 3.763 Å] and C—O...π interactions [O...centroid = 3.5300 (16 Å, C—O...centroid = 132.19 (10°] are also present.

New liquid crystals in the series of 1, 3, 5-triazine compounds ...

African Journals Online (AJOL)

The Series of compounds were prepared by nucleophilic addition of the primary amino nucleophile to 1,3,5-triazine electrophilic ring via alkyl spacers in presence of potassium carbonate as hydrochloride acceptor. Differencial scanning calorimetry (DSC), polarizing optical microscopy and x-ray diffraction confirmed Smectic ...

Determination of Triazine Herbicides in Drinking Water by Dispersive Micro Solid Phase Extraction with Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometric Detection.

Science.gov (United States)

Chen, Dawei; Zhang, Yiping; Miao, Hong; Zhao, Yunfeng; Wu, Yongning

2015-11-11

A novel dispersive micro solid phase extraction (DMSPE) method based on a polymer cation exchange material (PCX) was applied to the simultaneous determination of the 30 triazine herbicides in drinking water with ultrahigh-performance liquid chromatography-high-resolution mass spectrometric detection. Drinking water samples were acidified with formic acid, and then triazines were adsorbed by the PCX sorbent. Subsequently, the analytes were eluted with ammonium hydroxide/acetonitrile. The chromatographic separation was performed on an HSS T3 column using water (4 mM ammonium formate and 0.1% formic acid) and acetonitrile (0.1% formic acid) as the mobile phase. The method achieved LODs of 0.2-30.0 ng/L for the 30 triazines, with recoveries in the range of 70.5-112.1%, and the precision of the method was better than 12.7%. These results indicated that the proposed method had the advantages of convenience and high efficiency when applied to the analysis of the 30 triazines in drinking water.

Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.

Science.gov (United States)

Kopchuk, Dmitry S; Nikonov, Igor L; Khasanov, Albert F; Giri, Kousik; Santra, Sougata; Kovalev, Igor S; Nosova, Emiliya V; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V; Majee, Adinath; Chupakhin, Oleg N

2018-05-02

The interactions between substituted 5-R-3-(pyridyl-2)-1,2,4-triazines with in situ generated substituted aryne intermediates have been studied. The reaction afforded either inverse demand (ID) aza-Diels-Alder products or 1,2,4-triazine ring rearrangement (domino) products as major ones depending on the nature of both the substituents at the C5 position of the 1,2,4-triazine core or in the aryne moiety. The structures of the key products were confirmed based on X-ray data. Based on the density functional theoretical (DFT) studies of the Diels-Alder transition state geometries, the influence of the nature of arynes on the direction of the 1,2,4-triazine transformation has been proposed.

Synthesis and electrochemical characterization of new optoelectronic materials based on conjugated donor-acceptor system containing oligo-tri(heteroaryl)-1,3,5-triazines

International Nuclear Information System (INIS)

Idzik, Krzysztof R.; Rapta, Peter; Cywinski, Piotr J.; Beckert, Rainer; Dunsch, Lothar

2010-01-01

A series of novel oligoarylenes based on donor-acceptor system, containing triazine moiety as an electron-transporting central core, have been prepared by electrochemical polymerization. The redox behaviour of poly(2,4,6-tri[p-(2-(3,4-ethylenedioxythienyl))-phenyl]-1,3,5-triazine) was studied by cyclic voltammetry and triple in situ ESR/UV-vis-NIR spectroelectrochemistry to get more details on the type of charge carriers within the film. To obtain desired oligoarylenes, triazine-core monomers possessing various electrochromic side groups have been synthesized by the Stille cross-coupling methodology. The structures have been confirmed by 1 H NMR, 13 C NMR, and elemental analysis. Monomers show good chemical stability in common organic solvents such as chloroform, dichloromethane or toluene and also exhibit excellent thermal stability over wide range of temperatures. Furthermore, their photophysical properties have been established with the use of fluorescence spectroscopy. Electrochemical results accompanied with fluorescence spectroscopy suggest that these derivatives of triazine can be successfully used in the fabrication of organic light-emitting diodes (OLEDs).

Straightforward synthesis of a triazine-based porous carbon with high gas-uptake capacities

DEFF Research Database (Denmark)

Hu, Xinming; Chen, Qi; Zhao, Yan Chao

2014-01-01

A triazine-based porous carbon material (TPC-1) was prepared directly from a fluorinated aromatic nitrile in molten zinc chloride. Trimerization of the nitrile and subsequent defluorination carbonization of the polymeric network result in the formation of TPC-1. The defluorination process is reve...

Theoretical insight into electronic structure and optoelectronic properties of heteroleptic Cu(I)-based complexes for dye-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Wei, Shuxian; Li, Ke; Lu, Xiaoqing, E-mail: luxq@upc.edu.cn; Zhao, Zigang; Shao, Yang; Dang, Yong; Li, Shaoren; Guo, Wenyue, E-mail: wyguo@upc.edu.cn

2016-04-15

A series of heteroleptic Cu(I)-based dyes were investigated by density functional theory (DFT) and time-dependent DFT (TD-DFT). Results showed that Cu(I)-based dyes were inclined to form distorted pseudo-trigonal pyramidal configurations with four-coordinated geometry index τ{sub 4} ranging from 0.905 to 0.914. The absorption spectra of Cu(I)-based dyes covered ∼300.0–600.0 nm region, and the lowest excitation states were crucial for efficient electron excitation and separation. Suitable energy levels of Cu(I)-based dyes rendered them thermodynamically favorable for efficient electron injection into semiconductor and regeneration from electrolyte. Relative to π-conjugation, heteroaromatic groups introduced into ancillary ligands could significantly improve the property of Cu(I)-based dyes by decreasing HOMO-LUMO gaps, red-shifting spectral range, strengthening absorption intensity, boosting light-harvesting efficiency, and promoting interfacial electron injection. Specifically, Cu(I)-based dye with dithiole-functionalized group exhibited outstanding optoelectronic property. - Highlights: • Assessment of heteroleptic Cu(I) dyes for dye-sensitized solar cells. • Suitable energy levels render Cu(I) dyes ideal candidates for electron injection. • Heteroaromatic groups efficiently improve Cu(I) dyes light-harvesting properties. • Dye with dithiole group exhibits ideal photoelectronic property.

Synthesis of nanodispersible 6-aryl-2,4-diamino-1,3,5-triazine and its derivatives

International Nuclear Information System (INIS)

Padalkar, Vikas S.; Patil, Vikas S.; Phatangare, Kiran R.; Gupta, Vinod D.; Umape, Prashant G.; Sekar, N.

2010-01-01

A series of novel branched derivatives of 6-aryl-2,4-diamino-1,3,5-triazine from corresponding aryl nitriles and dicyanodiamide was synthesized. These compounds show a nanodispersibility and good thermal stability.

Development and evaluation of a gas chromatographic method for the determination of triazine herbicides in natural water samples

Science.gov (United States)

Steinheimer, T.R.; Brooks, M.G.

1984-01-01

A multi-residue method is described for the determination of triazine herbicides in natural water samples. The technique uses solvent extraction followed by gas chromatographic separation and detection employing nitrogen-selective devices. Seven compounds can be determined simultaneously at a nominal detection limit of 0.1 ??g/L in a 1-litre sample. Three different natural water samples were used for error analysis via evaluation of recovery efficiencies and estimation of overall method precision. As an alternative to liquid-liquid partition (solvent extraction) for removal of compounds of interest from water, solid-phase extraction (SPE) techniques employing chromatographic grade silicas with chemically modified surfaces have been examined. SPE is found to provide rapid and efficient concentration with quantitative recovery of some triazine herbicides from natural water samples. Concentration factors of 500 to 1000 times are obtained readily by the SPE technique.A multi-residue method is described for the determination of triazine herbicides in natural water samples. The technique uses solvent extraction followed by gas chromatographic separation and detection employing nitrogen-selective devices. Seven compounds can be determined simultaneously at a nominal detection limit of 0. 1 mu g/L in a 1-litre sample. As an alternative to liquid-liquid partition (solvent extraction) for removal of compounds of interest from water, solid-phase extraction (SPE) techniques employing chromatographic grade silicas with chemically modified surfaces have been examined. SPE is found to provide rapid and efficient concentration with quantitative recovery of some triazine herbicides from natural water samples. Concentration factors of 500 to 1000 times are obtained readily by the SPE technique.

Revisiting nitrogen species in covalent triazine frameworks

KAUST Repository

Osadchii, Dmitrii Yu.

2017-11-28

Covalent triazine frameworks (CTFs) are porous organic materials promising for applications in catalysis and separation due to their high stability, adjustable porosity and intrinsic nitrogen functionalities. CTFs are prepared by ionothermal trimerization of aromatic nitriles, however, multiple side reactions also occur under synthesis conditions, and their influence on the material properties is still poorly described. Here we report the systematic characterization of nitrogen in CTFs using X-ray photoelectron spectroscopy (XPS). With the use of model compounds, we could distinguish several types of nitrogen species. By combining these data with textural properties, we unravel the influence that the reaction temperature, the catalyst and the monomer structure and composition have on the properties of the resulting CTF materials.

Revisiting nitrogen species in covalent triazine frameworks

KAUST Repository

Osadchii, Dmitrii Yu.; Olivos Suarez, Alma Itzel; Bavykina, Anastasiya V.; Gascon, Jorge

2017-01-01

Covalent triazine frameworks (CTFs) are porous organic materials promising for applications in catalysis and separation due to their high stability, adjustable porosity and intrinsic nitrogen functionalities. CTFs are prepared by ionothermal trimerization of aromatic nitriles, however, multiple side reactions also occur under synthesis conditions, and their influence on the material properties is still poorly described. Here we report the systematic characterization of nitrogen in CTFs using X-ray photoelectron spectroscopy (XPS). With the use of model compounds, we could distinguish several types of nitrogen species. By combining these data with textural properties, we unravel the influence that the reaction temperature, the catalyst and the monomer structure and composition have on the properties of the resulting CTF materials.

Synthesis, characterization and evaluation of 1,3,5-triazine aminobenzoic acid derivatives for their antimicrobial activity.

Science.gov (United States)

Al-Zaydi, Khadijah M; Khalil, Hosam H; El-Faham, Ayman; Khattab, Sherine N

2017-05-10

Replacement of chloride ions in cyanuric chloride give several variants of 1,3,5-triazine derivatives which were investigated as biologically active small molecules. These compounds exhibit antimalarial, antimicrobial, anti-cancer and anti-viral activities, among other beneficial properties. On the other hand, treatment of bacterial infections remains a challenging therapeutic problem because of the emerging infectious diseases and the increasing number of multidrug-resistant microbial pathogens. As multidrug-resistant bacterial strains proliferate, the necessity for effective therapy has stimulated research into the design and synthesis of novel antimicrobial molecules. 1,3,5-Triazine 4-aminobenzoic acid derivatives were prepared by conventional method or by using microwave irradiation. Using microwave irradiation gave the desired products in less time, good yield and higher purity. Esterification of the 4-aminobenzoic acid moiety afforded methyl ester analogues. The s-triazine derivatives and their methyl ester analogues were fully characterized by FT-IR, NMR ( 1 H-NMR and 13 C-NMR), mass spectra and elemental analysis. All the synthesized compounds were evaluated for their antimicrobial activity. Some tested compounds showed promising activity against Staphylococcus aureus and Escherichia coli. Three series of mono-, di- and trisubstituted s-triazine derivatives and their methyl ester analogues were synthesized and fully characterized. All the synthesized compounds were evaluated for their antimicrobial activity. Compounds (10), (16), (25) and (30) have antimicrobial activity against S. aureus comparable to that of ampicillin, while the activity of compound (13) is about 50% of that of ampicillin. Compounds (13) and (14) have antimicrobial activity against E. coli comparable to that of ampicillin, while the activity of compounds (9-12) and (15) is about 50% of that of ampicillin. Furthermore, minimum inhibitory concentrations values for clinical isolates of

Triazine-Carbon Nanotubes: New Platforms for the Design of Flavin Receptors

OpenAIRE

Pichler, Federica; Lucío, María Isabel; Ramírez, José Ramón; Hoz Ayuso, Antonio de la; Sánchez-Mingallón, Ana; Hadad, Caroline; Quintana, Mildred; Giuliani, Angela; Bracamonte, María Victoria; Fierro, José L. G.; Tavagnacco, Claudio; Herrero, María Antonia; Prato, Maurizio; Vázquez, Ester

2016-01-01

The synthesis of different functionalized carbon nanotubes as receptors for riboflavin (RBF) is reported. Carbon nanotubes, both single-walled and multi-walled, have been functionalized with 1,3,5-triazines and p-tolyl chains by aryl radical addition under microwave irradiation and the derivatives have been fully characterized using different techniques. The interactions between riboflavin and the hybrids have been analysed by fluorescence and UV-Vis spectroscopic ...

Evaluation of chemical fluorescent dyes as a protein conjugation partner for live cell imaging.

Directory of Open Access Journals (Sweden)

Yoko Hayashi-Takanaka

Full Text Available To optimize live cell fluorescence imaging, the choice of fluorescent substrate is a critical factor. Although genetically encoded fluorescent proteins have been used widely, chemical fluorescent dyes are still useful when conjugated to proteins or ligands. However, little information is available for the suitability of different fluorescent dyes for live imaging. We here systematically analyzed the property of a number of commercial fluorescent dyes when conjugated with antigen-binding (Fab fragments directed against specific histone modifications, in particular, phosphorylated H3S28 (H3S28ph and acetylated H3K9 (H3K9ac. These Fab fragments were conjugated with a fluorescent dye and loaded into living HeLa cells. H3S28ph-specific Fab fragments were expected to be enriched in condensed chromosomes, as H3S28 is phosphorylated during mitosis. However, the degree of Fab fragment enrichment on mitotic chromosomes varied depending on the conjugated dye. In general, green fluorescent dyes showed higher enrichment, compared to red and far-red fluorescent dyes, even when dye:protein conjugation ratios were similar. These differences are partly explained by an altered affinity of Fab fragment after dye-conjugation; some dyes have less effect on the affinity, while others can affect it more. Moreover, red and far-red fluorescent dyes tended to form aggregates in the cytoplasm. Similar results were observed when H3K9ac-specific Fab fragments were used, suggesting that the properties of each dye affect different Fab fragments similarly. According to our analysis, conjugation with green fluorescent dyes, like Alexa Fluor 488 and Dylight 488, has the least effect on Fab affinity and is the best for live cell imaging, although these dyes are less photostable than red fluorescent dyes. When multicolor imaging is required, we recommend the following dye combinations for optimal results: Alexa Fluor 488 (green, Cy3 (red, and Cy5 or CF640 (far-red.

A Green Method for Synthesis of 7H-thiazolo[3,2-b][1,2, 4]-triazin-7-one Derivatives as AChE Inhibitors

Directory of Open Access Journals (Sweden)

Liu Sijie

2015-01-01

Full Text Available The authors study an efficient and green approach for the synthesis of 7H-thiazolo [3, 2-b][1,2,4]triazin-7-one derivatives as AChE inhibitors. The 7H-thiazolo[3,2-b][1,2,4]triazin-7-ones were designed by molecular docking, and readily prepared via a one-pot reaction in morpholine hydrosulfate ([Hnhm]HSO4 lonic liquid as the catalyst and solvent. The study of AChE inhibitory activity was carried out through using the Ellman colorimetric assay. The 7H-thiazolo[3,2-b][1,2,4]triazin-7-ones had been successfully synthesized by green catalyst. Most of the target compounds exhibited more than 50% inhibition at 10μM.

Synthesis and evaluation structure/extracting and complexing properties of new bi-topic ligands for group actinides extraction

International Nuclear Information System (INIS)

Bisson, J.

2011-01-01

The aim of this project is to design and study new extractants for spent nuclear fuel reprocessing. To decrease the long-term radiotoxicity of the waste, the GANEX process is an option to homogeneously recycle actinides. All actinides (U, Np, Pu, Am, Cm) would be extracted together from a highly acidic media and separated from fission products (especially from lanthanides). In this context, fourteen new bi-topic ligands constituted of a nitrogen poly-aromatic unit from the dipyridyl-phenanthroline and dipyridyl-1,3,5-triazine families and functionalized by amid groups were synthesized. Extraction studies performed with some of these ligands confirmed their interest to selectively separate actinides at different oxidation states from an aqueous solution 3M HNO 3 . To determine the influence of ligands structure on cation complexation, a study in a homogenous media (MeOH/H 2 O) has been carried out. Electro-spray ionization mass spectrometry have been used to characterize the complexes stoichiometries formed with several cations (Eu 3+ , Nd 3+ , Am 3+ , Pu 4+ and NpO 2 + ). Stability constants, evaluated by UV-Visible spectrophotometry, confirm the selectivity of these ligands toward actinides. Lanthanides and actinides complexes have also been characterized in the solid state by infra-red spectroscopy and X-Ray diffraction. Associated to nuclear magnetic resonance experiments and DFT calculations (Density Functional Theory), a better knowledge of their coordination mode was achieved. (author) [fr

SYNTHESIS OF NOVEL SOLUBLE AROMATIC POLYPYROMELLITIMIDE CONTAINING ORDERED 1,2,4-TRIAZINE IN THE MAIN CHAIN

Institute of Scientific and Technical Information of China (English)

Xiao-bing Yi; Guo-shi Wu; Feng-cai Lu

2002-01-01

A new heat-resistant, soluble polymer, poly(phenyl-1,2,4-triazine imidc), has been prepared via a two-step method of polycondensation of N,N'-bis(4-benzil)pyromellitimide and terephthalamidrazone in cresol, followed by curing at higher temperature. The rigid 1,2,4-triazine group increases the solubility of the polyimide so that the polymer is soluble in cresol,N-methyl-2-pyrrolidone (NMP), trifluoroacetic acid and concentrated sulfuric acid, etc. Thermogravimetric analysis (TGA)indicates that this novel polyimide has good thermal stability with a high decomposition temperature of 447℃ in air and of 423 ℃ in N2. It has a tensile strength of 107.4 MPa with an elongation at break of around 7.6%.

Hydrophilic-lipophilic balanced magnetic nanoparticles: preparation and application in magnetic solid-phase extraction of organochlorine pesticides and triazine herbicides in environmental water samples.

Science.gov (United States)

He, Zeying; Wang, Peng; Liu, Donghui; Zhou, Zhiqiang

2014-09-01

In this study, a novel hydrophilic-lipophilic balanced magnetic nanoparticle, magnetic poly(divinylbenzene-co-N-vinylpyrrolidone) (HLB-MPNP) was successfully synthesized and applied for the extraction and determination of triazine and organochlorine pesticides in environmental water samples. The specific ratio of two monomers, hydrophilic N-vinylpyrrolidone and lipophilic divinylbenzene, endowed the magnetic nanoparticles with hydrophilic-lipophilic balanced character, which made it capable of extracting both polar and nonpolar analytes. The experimental parameters affecting extraction efficiency, including desorption conditions, sample pH, sample volume and extraction time were investigated and optimized. Under the optimum conditions, good linearity was obtained in the range of 0.20-10 μg L(-1) for triazine herbicides and 5.0-100 ng L(-1) for organochlorine pesticides, with correlation coefficients ranging from 0.994 to 0.999. The limits of determination were between 0.048 and 0.081 μg L(-1) for triazine herbicides and 0.39 and 3.26 ng L(-1) for organochlorine pesticides. The proposed method was successfully applied in the analysis of triazine and organochlorine pesticides in environmental water samples (ground, river and reservoir). Copyright © 2014 Elsevier B.V. All rights reserved.

Triazine containing N-rich microporous organic polymers for CO2 capture and unprecedented CO2/N2 selectivity

International Nuclear Information System (INIS)

Bhunia, Subhajit; Bhanja, Piyali; Das, Sabuj Kanti; Sen, Tapas; Bhaumik, Asim

2017-01-01

Targeted synthesis of microporous adsorbents for CO 2 capture and storage is very challenging in the context of remediation from green house gases. Herein we report two novel N-rich microporous networks SB-TRZ-CRZ and SB-TRZ-TPA by extensive incorporation of triazine containing tripodal moiety in the porous polymer framework. These materials showed excellent CO 2 storage capacities: SB-TRZ-CRZ displayed the CO 2 uptake capacity of 25.5 wt% upto 1 bar at 273 K and SB-TRZ-TPA gave that of 16 wt% under identical conditions. The substantial dipole quadruple interaction between network (polar triazine) and CO 2 boosts the selectivity for CO 2 /N 2 . SB-TRZ-CRZ has this CO 2 /N 2 selectivity ratio of 377, whereas for SB-TRZ-TPA it was 97. Compared to other porous polymers, these materials are very cost effective, scalable and very promising material for clean energy application and environmental issues. - Graphical abstract: We report two novel N-rich microporous polymeric materials by doping of triazine containing tripodal dopant in the organic framework. These materials showed excellent CO 2 storage capacities as high as 25.5 wt% under 1 bar pressure with exceptional CO 2 /N 2 selectivity of 377. - Highlights: • Triazine containing trimodal moiety incorporated in polycarbazolic and poly triphenylamine networks. • N-rich crosslinked polymers with high BET surface area and 1.5–1.7 nm size large micropores. • CO 2 uptake capacity of 25.5 wt% upto 1 bar at 273 K. • These crosslinked porous polymers showed exceptional CO 2 /N 2 selectivity.

Octane-Assisted Reverse Micellar Dyeing of Cotton with Reactive Dyes

Directory of Open Access Journals (Sweden)

Alan Yiu-lun Tang

2017-12-01

Full Text Available In this study, we investigated the computer colour matching (CCM of cotton fabrics dyed with reactive dye using the octane-assisted reverse micellar approach. The aim of this study is to evaluate the colour quality and compare the accuracy between CCM forecasting and simulated dyeing produced by conventional water-based dyeing and octane-assisted reverse micellar dyeing. First, the calibration of dyeing databases for both dyeing methods was established. Standard samples were dyed with known dye concentrations. Computer colour matching was conducted by using the colour difference formula of International Commission on Illumination (CIE L*a*b*. Experimental results revealed that the predicted concentrations were nearly the same as the expected known concentrations for both dyeing methods. This indicates that octane-assisted reverse micellar dyeing system can achieve colour matching as good as the conventional water-based dyeing system. In addition, when comparing the colour produced by the conventional water-based dyeing system and the octane-assisted reverse micellar dyeing system, the colour difference (ΔE is ≤1, which indicates that the reverse micellar dyeing system could be applied for industrial dyeing with CCM.

Subcritical water extraction combined with molecular imprinting technology for sample preparation in the detection of triazine herbicides.

Science.gov (United States)

Zhao, Fengnian; Wang, Shanshan; She, Yongxin; Zhang, Chao; Zheng, Lufei; Jin, Maojun; Shao, Hua; Jin, Fen; Du, Xinwei; Wang, Jing

2017-09-15

A selective, environmentally friendly, and cost-effective sample extraction method based on a combination of subcritical water extraction (SWE) and molecularly imprinted solid-phase extraction (MISPE) was developed for the determination of eight triazine herbicides in soil samples by liquid chromatography-tandem mass spectrometry (LC-MS/MS). In SWE, the highest extraction yields of triazine herbicides were obtained under 150°C for 15min using 20% ethanol as the organic modifier. Addition of MIP during SWE increased the extraction efficiency, and using MIP as a selective SPE sorbent improved the enrichment capability. Soil samples were treated with the optimized extraction MIP/SWE-MISPE method and analyzed by LC-MS/MS. The novel technique was then applied to soil samples for the determination of triazine herbicides, and better recoveries (78.9%-101%) were obtained compared with using SWE-MISPE (30%-67%). Moreover, this newly developed method displayed good linearity (R 2 >0.99) and precision (2.7-9.8%), and low enough detection limits (0.4-3.3μgkg -1 ). This combination of SWE and MIP technology is a simple, effective and promising method to selectively extract class-specific compounds in complex samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Study of the Direct Red 81 Dye/Copper(II-Phenanthroline System

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Elsa Walger

2018-01-01

Full Text Available Recovered papers contain several chromophores, such as wood lignin and dyes. These have to be eliminated during paper recycling in order to produce white paper. Hydrogen peroxide under alkaline conditions is generally used to decolorize lignin, but its effect on dyes is limited. Copper(II-phenanthroline (Cu-Phen complexes can activate the oxidation of lignin by hydrogen peroxide. Hydrogen peroxide may also be activated during recycled fiber bleaching, thus enhancing its color-stripping efficiency towards unoxidizable azo dyes. The purpose of this paper was to determine the effect of Cu-Phen complexes on a model azo dye, Direct Red 81 (DR81, in aqueous solution. Different Cu-Phen solutions (with different initial Cu:Phen molar ratios were prepared and mixed with the dye at different pHs. The geochemical computer program PHREEQC allowed precise calculation of the theoretical distribution between different possible coordinates (CuPhenOH+, Cu(Phen22+, CuPhen(OH2, Cu(Phen32+, etc. depending on pH and initial concentrations. UV-vis spectroscopic measurements were correlated with the major species theoretically present in each condition. The UV absorbance of the system was mainly attributed to the Cu-Phen complex and the visible absorbance was only due to the dye. Cu-Phen appeared to reduce the color intensity of the DR81 dye aqueous solution under specific conditions (more effective at pH 10.7 with Cu:Phen = 1:1, probably owing to the occurrence of a coordination phenomenon between DR81 and Cu-Phen. Hence, the ligand competition between phenanthroline and hydroxide ions would be disturbed by a third competitor, which is the dye molecule. Further investigation proved that the DR81 dye is able to form a complex with copper-phenanthroline, leading to partial color-stripping. This new “color-stripping effect” may be a new opportunity in paper and textile industries for wastewater treatment.

Dyeing of Polyester with Disperse Dyes: Part 2. Synthesis and Dyeing Characteristics of Some Azo Disperse Dyes for Polyester Fabrics

Directory of Open Access Journals (Sweden)

Alya M. Al-Etaibi

2016-06-01

Full Text Available The goal of this study was to utilize carrier for accelerating the rate of dyeing not only to enhance dyeing of polyester fabrics dyed with disperse dyes 3a,b, but also to save energy. Both the color strength expressed as dye uptake and the fastness properties of the dyed fabrics were evaluated.

CYTOGENETIC STUDIES OF THREE TRIAZINE HERBICIDES II. IN VIVO MICRONUCLEUS STUDIES IN MOUSE BONE MARROW

Science.gov (United States)

Atrazine, simazine, and cyanazine are widely used preemergence and postemergence triazine herbicides that have made their way into the potable water supply of many agricultural communities. There are several contradictory studies in the literature. Our previous in vitro studies...

Nano-dyeing

Directory of Open Access Journals (Sweden)

Ning Cui-Juan

2016-01-01

Full Text Available Dyeing nanofibers is a frontier of both modern textile engineering and nanotechnology. This paper suggest a feasible method for dyeing nanofibers with a natural red (Roselle Calyx by bubble electrospinning. Reactive dye (Red S3B and acid dye (Red 2B were also used in the experiment for comparison. The dyeing process was finished during the spinning process.

Mononuclear, trinuclear, and hetero-trinuclear supramolecular complexes containing a new tri-sulfonate ligand and cobalt(II)/copper(II)-(1,10-phenanthroline) 2 building blocks

Science.gov (United States)

Yu, Yunfang; Wei, Yongqin; Broer, Ria; Sa, Rongjian; Wu, Kechen

2008-03-01

Novel mononuclear, trinuclear, and hetero-trinuclear supermolecular complexes, [Co(phen) 2(H 2O)(HTST)]·2H 2O ( 1), [Co 3(phen) 6(H 2O) 2(TST) 2]·7H 2O ( 2), and [Co 2Cu(phen) 6(H 2O) 2(TST) 2]·10H 2O ( 3), have been synthesized by the reactions of a new tri-sulfonate ligand (2,4,6-tris(4-sulfophenylamino)-1,3,5-triazine, H 3TST) with the M2+ ( M=Co, Cu) and the second ligand 1,10-phenanthroline (phen). Complex 1 contains a cis-Co(II)(phen) 2 building block and an HTST as monodentate ligand; complex 2 consists of two TST as bidentate ligands connecting one trans- and two cis-Co(II)(phen) 2 building blocks; complex 3 is formed by replacing the trans-Co(II)(phen) 2 in 2 with a trans-Cu(II)(phen) 2, which is the first reported hetero-trinuclear supramolecular complex containing both the Co(II)(phen) 2 and Cu(II)(phen) 2 as building blocks. The study shows the flexible multifunctional self-assembly capability of the H 3TST ligands presenting in these supramolecular complexes through coordinative, H-bonding and even π- π stacking interactions. The photoluminescent optical properties of these complexes are also investigated and discussed as well as the second-order nonlinear optical properties of 1.

Determination of Irgarol-1051 and its related s-triazine species in coastal sediments and mussel tissues by HPLC-ESI-MS/MS.

Science.gov (United States)

Tsang, Vic Wing-Hang; Lei, Ngai-Yu; Lam, Michael Hon-Wah

2009-10-01

A mild, low-temperature analytical approach based on sonication assisted extraction coupled with HPLC electrospray ionization triple quadrupole tandem mass spectrometry has been developed for the simultaneous qualitative and quantitative determination of the four Irgarol-related s-triazine species, namely Irgarol-1051, M1, M2 and M3, in coastal sediments and Green-lipped mussel samples. Mild extraction conditions were necessary for the preservation of the thermally unstable M2. The Multiple Reaction Monitoring (MRM) mode of detection by ESI-MS/MS enabled reliable qualitative identification and sensitive quantitative determination of those s-triazines. This determination method was applied to evaluate the degree of Irgarol-1051 contamination in the sediments and biota of the coastal environment of Hong Kong--one of the busiest maritime ports in the world. All the four s-triazine species were observed in all of the samples. This is the first time that the newly identified M2 and M3 are detected in coastal sediments and biota tissues.

3D-QSPR method of computational technique applied on red reactive dyes by using CoMFA strategy.

Science.gov (United States)

Mahmood, Uzma; Rashid, Sitara; Ali, S Ishrat; Parveen, Rasheeda; Zaheer-Ul-Haq; Ambreen, Nida; Khan, Khalid Mohammed; Perveen, Shahnaz; Voelter, Wolfgang

2011-01-01

Cellulose fiber is a tremendous natural resource that has broad application in various productions including the textile industry. The dyes, which are commonly used for cellulose printing, are "reactive dyes" because of their high wet fastness and brilliant colors. The interaction of various dyes with the cellulose fiber depends upon the physiochemical properties that are governed by specific features of the dye molecule. The binding pattern of the reactive dye with cellulose fiber is called the ligand-receptor concept. In the current study, the three dimensional quantitative structure property relationship (3D-QSPR) technique was applied to understand the red reactive dyes interactions with the cellulose by the Comparative Molecular Field Analysis (CoMFA) method. This method was successfully utilized to predict a reliable model. The predicted model gives satisfactory statistical results and in the light of these, it was further analyzed. Additionally, the graphical outcomes (contour maps) help us to understand the modification pattern and to correlate the structural changes with respect to the absorptivity. Furthermore, the final selected model has potential to assist in understanding the characteristics of the external test set. The study could be helpful to design new reactive dyes with better affinity and selectivity for the cellulose fiber.

Photoelectrochemical studies of dye-sensitized solar cells using organic dyes

Energy Technology Data Exchange (ETDEWEB)

Marinado, Tannia

2009-10-15

The dye-sensitized solar cell (DSC) is a promising efficient low-cost molecular photovoltaic device. One of the key components in DSCs is the dye, as it is responsible for the capture of sunlight. State-of-the-art DSC devices, based on ruthenium dyes, show record efficiencies of 10-12 %. During the last decade, metal-free organic dyes have been extensively explored as sensitizers for DSC application. The use of organic dyes is particularly attractive as it enables easy structural modifications, due to fairly short synthetic routes and reduced material cost. Novel dye should in addition to the light-harvesting properties also be compatible with the DSC components. In this thesis, a series of new organic dyes are investigated, both when integrated in the DSC device and as individual components. The evaluation methods consisted of different electrochemical and photoelectrochemical techniques. Whereas the light-harvesting properties of the dyes were fairly easily improved, the behavior of the dye integrated in the DSC showed less predictable photovoltaic results. The dye series studied in Papers II and IV revealed that their dye energetics limited vital electron-transfer processes, the dye regeneration (Paper II) and injection quantum yield (Paper IV). Further, in Papers III-VI, it was observed that different dye structures seemed to alter the interfacial electron recombination with the electrolyte. In addition to the dye structure sterics, some organic dyes appear to enhance the interfacial recombination, possibly due to specific dye-redox acceptor interaction (Paper V). The impact of dye sterical modifications versus the use of coadsorbent was explored in Paper VI. The dye layer properties in the presence and absence of various coadsorbents were further investigated in Paper VII. The core of this thesis is the identification of the processes and properties limiting the performance of the DSC device, aiming at an overall understanding of the compatibility between the

A Simple Vortex-Assisted Magnetic Dispersive Solid Phase Microextraction System for Preconcentration and Separation of Triazine Herbicides from Environmental Water and Vegetable Samples Using Fe₃O₄@MIL-100(Fe) Sorbent.

Science.gov (United States)

Nasrollahpour, Atefe; Moradi, Seyyed Ershad

2018-04-04

A vortex-assisted magnetic dispersive solid phase microextraction coupled with high-performance liquid chromatography has been developed for the extraction and determination of triazine herbicides by using magnetic metal organic frameworks [Fe₃O₄@MIL-100(Fe)] in environmental water and vegetable samples. The Fe₃O₄@MIL-100(Fe) composite has been characterized by using X-ray diffraction spectroscopy, tunneling electron microscopy, thermogravimetric measurement, and Brunauer-Emmett-Teller analysis. The method is based on the sorption of triazine herbicides on Fe₃O₄@MIL-100(Fe) because of the complex formation between iron oxide nanoparticles and triazine herbicides beside π-π interactions between organic parts of Fe₃O₄@MIL-100(Fe) and triazine herbicides. The experimental parameters for the preconcentration of triazine herbicides, such as the type and volume of the eluent, pH, time of the sorption and desorption, and the amount of the sorbent, were optimized. Under the optimized conditions, the method was linear over the concentration range of 0.0061 to 70 ng/mL for each triazine herbicide, and the correlation coefficients ranged from 0.9988 to 0.9997. The limit of detection of the method at a signal-to-noise ratio of 3 was 2.0 to 5.3 ng/mL. The relative standard deviations for inter- and intraday assays were in the range of 5.8 to 10.2% and 3.8 to 6.3%, respectively.

Covalent Crosslinking of Porous Poly(Ionic Liquid) Membrane via a Triazine Network

OpenAIRE

Täuber, Karoline; Dani, Alessandro; Yuan, Jiayin

2017-01-01

Porous poly(ionic liquid) membranes that were prepared via electrostatic cross-linking were subsequently covalently cross-linked via formation of a 1,3,5-triazine network. The additional covalent cross-links do not affect the pore size and pore size distribution of the membranes and stabilize them towards salt solutions of high ionic strength, enabling the membranes to work in a broader environmental window.

Determination of triazine herbicides and their metabolites in multiple medicinal parts of traditional Chinese medicines using streamlined pretreatment and UFLC-ESI-MS/MS.

Science.gov (United States)

Liu, Congmin; Dou, Xiaowen; Zhang, Lei; Li, Qian; Qin, Jia'an; Duan, Yaping; Yang, Meihua

2018-01-01

A rapid, sensitive, and reliable ultra-fast liquid chromatography combined with electrospray ionization tandem mass spectrometry (UFLC-ESI-MS/MS) method was established and applied to simultaneous determination of 31 triazine herbicides and their metabolites in multiple medicinal parts of traditional Chinese medicines (TCMs). A streamlined pretreatment approach using one-step extraction and dilution was proposed, which provided high-throughput processing, excellent recovery, and negligible interference. Afterwards, multiple-reaction monitoring (MRM) and information-dependent acquisition (IDA) triggered enhanced product ion spectra (EPI) was adopted to identify and quantify the targets in a single analysis. The optimized method was then validated according to the guidelines of the European Commission for the following parameters: Matrix effects, specificity, accuracy, precision, linearity, range, and stability. The LOD and LOQ for the 31 triazine herbicides were 0.1-10 μg kg -1 and 0.5-25 μg kg -1 , respectively. Recoveries at three concentration levels were within 67.9-120.3% with an associated precision RSD <20%. Using the proposed approach, trazines herbicides were determined from 44 commercially available TCMs. The detection rate of triazine herbicides residues was 15.9% of the total samples. Among them, atrazine, simeton, and simetryn were found in the radix, herba, and seed TCMs with values far below the referenced maximum residue limits (MRLs), but no residues were detected in either the flos or fructus. Taken together, this method has the potential to provide a means for triazines screening in extensive matrices, thereby laying the foundation for pesticide registration on TCMs. Moreover, it has the potential to guide further triazine residue control in TCMs. Copyright © 2017 Elsevier Ltd. All rights reserved.

Facile synthesis of triazine-triphenylamine-based microporous covalent polymer adsorbent for flue gas CO2 capture

KAUST Repository

Das, Swapan Kumar; Wang, Xinbo; Lai, Zhiping

2017-01-01

The sustainable capture and sequestration of CO2 from flue gas emission is an important and unavoidable challenge to control greenhouse gas release and climate change. In this report, we describe a triazine-triphenylamine-based microporous covalent

Characteristics of dye-sensitized solar cells using natural dye

Energy Technology Data Exchange (ETDEWEB)

Furukawa, Shoji, E-mail: furukawa@cse.kyutech.ac.j [Graduate School of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Kawazu, Iizuka-shi, Fukuoka-ken 820-8502 (Japan); Iino, Hiroshi; Iwamoto, Tomohisa; Kukita, Koudai; Yamauchi, Shoji [Graduate School of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Kawazu, Iizuka-shi, Fukuoka-ken 820-8502 (Japan)

2009-11-30

Dye-sensitized solar cells are expected to be used for future clean energy. Recently, most of the researchers in this field use Ruthenium complex as dye in the dye-sensitized solar cells. However, Ruthenium is a rare metal, so the cost of the Ruthenium complex is very high. In this paper, various dye-sensitized solar cells have been fabricated using natural dye, such as the dye of red-cabbage, curcumin, and red-perilla. As a result, it was found that the conversion efficiency of the solar cell fabricated using the mixture of red-cabbage and curcumin was about 0.6% (light source: halogen lamp), which was larger than that of the solar cells using one kind of dye. It was also found that the conversion efficiency was about 1.0% for the solar cell with the oxide semiconductor film fabricated using polyethylene glycol (PEG) whose molecular weight was 2,000,000 and red-cabbage dye. This indicates that the cost performance (defined by [conversion efficiency]/[cost of dye]) of the latter solar cell (dye: red-cabbage) is larger by more than 50 times than that of the solar cell using Ruthenium complex, even if the effect of the difference between the halogen lamp and the standard light source is taken into account.

Probing the influence of N-donor capping ligands on supramolecular assembly in molecular uranyl materials

Energy Technology Data Exchange (ETDEWEB)

Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L. [Department of Chemistry, The George Washington University, Washington, DC (United States)

2016-01-15

The syntheses and crystal structures of six new compounds containing the UO{sub 2}{sup 2+} cation, 3,5-dichlorobenzoic acid, and a chelating N-donor [2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), 4,7-dimethyl-1,10-phenanthroline (dimethylphen), 2,2{sup '}:6{sup '},2''-terpyridine (terpy), 4{sup '}-chloro-2,2{sup '}:6{sup '},2''-terpyridine (Cl-terpy), or 2,4,6-tris(2-pyridyl)-s-triazine (TPTZ)] are reported. Single-crystal X-ray diffraction analysis of these materials enabled the exploration of the structural relationship between the benzoic acids and the chelating N-donor as well as providing a platform to evaluate the effects of ligand choice on uranyl hydrolysis and subsequent oligomerization. At an unadjusted pH (ca. 3), a mix of uranyl monomers and dimers are observed, dimer formation resulting from both bridging carboxylate linkers and hydroxo bridges. Assembly by halogen- and hydrogen-bonding interactions as well as π-π interactions was observed depending on the experimental conditions utilized. Further, spectroscopic characterization (both vibrational and luminescence) of complexes 1, 4, and 5 to explore the effects of the electron-donating ability of the capping ligand on the corresponding uranyl luminescence and vibrational spectra suggests that there is a relationship between the observed bathochromic shifts and the electron-donating ability of the capping ligands. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Probing the influence of N-donor capping ligands on supramolecular assembly in molecular uranyl materials

International Nuclear Information System (INIS)

Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.

2016-01-01

The syntheses and crystal structures of six new compounds containing the UO 2 2+ cation, 3,5-dichlorobenzoic acid, and a chelating N-donor [2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), 4,7-dimethyl-1,10-phenanthroline (dimethylphen), 2,2 ' :6 ' ,2''-terpyridine (terpy), 4 ' -chloro-2,2 ' :6 ' ,2''-terpyridine (Cl-terpy), or 2,4,6-tris(2-pyridyl)-s-triazine (TPTZ)] are reported. Single-crystal X-ray diffraction analysis of these materials enabled the exploration of the structural relationship between the benzoic acids and the chelating N-donor as well as providing a platform to evaluate the effects of ligand choice on uranyl hydrolysis and subsequent oligomerization. At an unadjusted pH (ca. 3), a mix of uranyl monomers and dimers are observed, dimer formation resulting from both bridging carboxylate linkers and hydroxo bridges. Assembly by halogen- and hydrogen-bonding interactions as well as π-π interactions was observed depending on the experimental conditions utilized. Further, spectroscopic characterization (both vibrational and luminescence) of complexes 1, 4, and 5 to explore the effects of the electron-donating ability of the capping ligand on the corresponding uranyl luminescence and vibrational spectra suggests that there is a relationship between the observed bathochromic shifts and the electron-donating ability of the capping ligands. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synthesis of carbon-11-labeled 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine derivatives as new potential PET tracers for imaging of p38α mitogen-activated protein kinase.

Science.gov (United States)

Wang, Min; Gao, Mingzhang; Zheng, Qi-Huang

2014-08-15

The reference standards methyl 4-(2-methyl-5-(methoxycarbamoyl)phenylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (10a), methyl 4-(2-methyl-5-(ethoxycarbamoyl)phenylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (10b) and corresponding precursors 4-(2-methyl-5-(methoxycarbamoyl)phenylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (11a), methyl 4-(2-methyl-5-(ethoxycarbamoyl)phenylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (11b) were synthesized from methyl crotonate and 3-amino-4-methylbenzoic acid in multiple steps with moderate to excellent yields. The target tracer [(11)C]methyl 4-(2-methyl-5-(methoxycarbamoyl)phenylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate ([(11)C]10a) and [(11)C]methyl 4-(2-methyl-5-(ethoxycarbamoyl)phenylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate ([(11)C]10b) were prepared from their corresponding precursors with [(11)C]CH3OTf under basic condition through O-[(11)C]methylation and isolated by a simplified solid-phase extraction (SPE) method in 50-60% radiochemical yields at end of bombardment (EOB) with 185-555 GBq/μmol specific activity at end of synthesis (EOS). Copyright © 2014 Elsevier Ltd. All rights reserved.

Characteristics of a Broadband Dye Laser Using Pyrromethene and Rhodamine Dyes

Science.gov (United States)

Tedder, Sarah A.; Danehy, Paul M.; Wheeler, Jeffrey L.

2011-01-01

A broadband dye laser pumped by a frequency-doubled Nd:YAG laser with a full-width half-maximum (FWHM) from 592 to 610 nm was created for the use in a dual-pump broadband CARS system called WIDECARS. The desired broadband dye laser was generated with a mixture of Pyrromethene dyes as an oscillator gain medium and a spectral selective optic in the oscillator cavity. A mixture of Rhodamine dyes were used in the amplifier dye cell. To create this laser a study was performed to characterize the spectral behavior of broadband dye lasers created with Rhodamine dyes 590, 610, and 640, Pyrromethene dyes 597 and 650 as well as mixture of these dyes.

OPTIMIZATION OF DYEING PARAMETERS TO DYE COTTON WITH CARROT EXTRACTION

Directory of Open Access Journals (Sweden)

MIRALLES Verónica

2017-05-01

Full Text Available Natural dyes derived from flora and fauna are believed to be safe because of non-toxic, non-carcinogenic and biodegradable nature. Furthermore, natural dyes do not cause pollution and waste water problems. Natural dyes as well as synthetic dyes need the optimum parameters to get a good dyeing. On some occasions, It is necessary the use of mordants to increase the affinity between cellulose fiber and natural dye, but there are other conditions to optimize in the dyeing process, like time, temperature, auxiliary porducts, etc. In addition, the optimum conditions are different depends on the type of dye and the fiber nature. The aim of this work is the use of carrot extract to dye cotton fabric by exhaustion at diverse dyeing conditions. Diffferent dyeing processes were carried out to study the effect of pH condition and the temperature, using 7, 6 and 4 pH values and 95 ºC and 130ºC for an hour. As a result some images of dyed samples are shown. Moreover, to evaluate the colour of each sample CIELAB parameters are analysed obtained by reflexion spectrophotometre. The results showed that the temperature used has an important influence on the colour of the dyed sample.

Privileged scaffolds or promiscuous binders: a glance of pyrrolo[2,1-f][1,2,4]triazines and related bridgehead nitrogen heterocycles in medicinal chemistry.

Science.gov (United States)

Song, Yu'ning; Zhan, Peng; Zhang, Qingzhu; Liu, Xinyong

2013-01-01

Pyrrolo[2,1-f][1,2,4]triazine template, a unique bridgehead nitrogen heterocycle, certainly deserves the title of "privileged scaffold" in the drug discovery field because of the versatility and potential to yield derivatives with a wide range of biological activities, such as anti-anaplastic lymphoma kinase (ALK), Janus kinase 2 (JAK2), VEGFR-2, EGFR and/or HER2, Met kinase, p38α mitogen-activated protein (MAP) kinase and insulin-like growth factor receptor (IGF-1R) kinase activities, etc. These different biological properties of pyrrolo[2,1-f][1,2,4]triazine derivatives have motivated new studies in searching for novel derivatives with improved activity and also other applications in pharmaceutical field. However, no systematic review is available in the literature on the pyrrolo[2,1- f][1,2,4]triazine derivatives concerning the design of potent drug-like compounds. Owing to the importance of this heterocyclic system, the present paper is an attempt to the pharmacological activities, structural modifications and the structure-activity relationship (SAR) reported for bridgehead nitrogen heterocycles in the current literature, making an effort to highlight the importance and therapeutic potentials of the pyrrolo[2,1-f][1,2,4]triazine scaffold and its bridgehead nitrogen bioisosters as heterocyclic privileged medicinal scaffolds.

Effect of two major N-nitroso hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites on earthworm reproductive success

International Nuclear Information System (INIS)

Zhang Baohong; Cox, Stephen B.; McMurry, Scott T.; Jackson, W. Andrew; Cobb, George P.; Anderson, Todd A.

2008-01-01

Soil and topical tests were employed to investigate the effect of two N-nitroso metabolites of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) on earthworm reproduction. The lowest observed effect concentration (LOEC) for cocoon production and hatching was 50 mg/kg for both hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX) in soil. MNX and TNX also significantly affected cocoon hatching in soil (p 20 values for MNX were 8.7 and 8.8 mg/kg for cocoon and juvenile production, respectively, compared to 9.2 and 9.1 mg/kg for TNX, respectively. The EC 20 values for the total number of cocoon hatchlings were 3.1 and 4.7 mg/kg for MNX and TNX, respectively, in soil and 4.5 and 3.1 mg/L in the topical test. Both MNX and TNX inhibited cocoon production and hatching, suggesting that they may have a negative affect on soil ecosystems at contaminated sites. - RDX metabolites affect earthworm cocoon production and hatching

3D-QSPR Method of Computational Technique Applied on Red Reactive Dyes by Using CoMFA Strategy

Directory of Open Access Journals (Sweden)

Shahnaz Perveen

2011-12-01

Full Text Available Cellulose fiber is a tremendous natural resource that has broad application in various productions including the textile industry. The dyes, which are commonly used for cellulose printing, are “reactive dyes” because of their high wet fastness and brilliant colors. The interaction of various dyes with the cellulose fiber depends upon the physiochemical properties that are governed by specific features of the dye molecule. The binding pattern of the reactive dye with cellulose fiber is called the ligand-receptor concept. In the current study, the three dimensional quantitative structure property relationship (3D-QSPR technique was applied to understand the red reactive dyes interactions with the cellulose by the Comparative Molecular Field Analysis (CoMFA method. This method was successfully utilized to predict a reliable model. The predicted model gives satisfactory statistical results and in the light of these, it was further analyzed. Additionally, the graphical outcomes (contour maps help us to understand the modification pattern and to correlate the structural changes with respect to the absorptivity. Furthermore, the final selected model has potential to assist in understanding the charachteristics of the external test set. The study could be helpful to design new reactive dyes with better affinity and selectivity for the cellulose fiber.

Potent inhibition of tau fibrillization with a multivalent ligand

International Nuclear Information System (INIS)

Honson, Nicolette S.; Jensen, Jordan R.; Darby, Michael V.; Kuret, Jeff

2007-01-01

Small-molecule inhibitors of tau fibrillization are under investigation as tools for interrogating the tau aggregation pathway and as potential therapeutic agents for Alzheimer's disease. Established inhibitors include thiacarbocyanine dyes, which can inhibit recombinant tau fibrillization in the presence of anionic surfactant aggregation inducers. In an effort to increase inhibitory potency, a cyclic bis-thiacarbocyanine molecule containing two thiacarbocyanine moieties was synthesized and characterized with respect to tau fibrillization inhibitory activity by electron microscopy and ligand aggregation state by absorbance spectroscopy. Results showed that the inhibitory activity of the bis-thiacarbocyanine was qualitatively similar to a monomeric cyanine dye, but was more potent with 50% inhibition achieved at ∼80 nM concentration. At all concentrations tested in aqueous solution, the bis-thiacarbocyanine collapsed to form a closed clamshell structure. However, the presence of tau protein selectively stabilized the open conformation. These results suggest that the inhibitory activity of bis-thiacarbocyanine results from multivalency, and reveal a route to more potent tau aggregation inhibitors

Characteristics of dye Rhoeo spathacea in dye sensitizer solar cell (DSSC)

Science.gov (United States)

Sumardiasih, Sri; Obina, Wilfrida M.; Cari; Supriyanto, Agus; Septiawan, Trio Y.; Khairuddin

2017-01-01

Dye-sensitized solar cell (DSSC) is a device that converts solar energy into electrical energy. The magnitude of the efficiency of DSSC is mainly based on the amount of dye absorbed by the surface of TiO2. In this work, used natural dye extracted from leaves Rhoeo spathacea. The dye partially used to immerse of TiO2 as working electrodes, and the rest are directly mixed TiO2 paste to obtain dye titanium dioxide.The paste TiO2 and dye titanium dioxide coated onto the fluorine-doped tin oxide (FTO) glass plate by spin coating method. The absorbance spectra of the dye, dye titanium dioxide and TiO2 were obtained by UV-Vis spectroscopy. The conductivity of the dye, dye titanium dioxide, and TiO2 was measured by two point probe El-Kahfi 100. The DSSC based on dye titanium dioxide that stirring for 5 hours the highest efficiency of 0,0520 % whereas those based on TiO2 immersed for 36 hours showed achieved 0,0501 % obtained from I-V characterization.

Characteristics of dye Rhoeo spathacea in dye sensitizer solar cell (DSSC)

International Nuclear Information System (INIS)

Sumardiasih, Sri; Obina, Wilfrida M.; Cari; Supriyanto, Agus; Septiawan, Trio Y.; Khairuddin

2017-01-01

Dye-sensitized solar cell (DSSC) is a device that converts solar energy into electrical energy. The magnitude of the efficiency of DSSC is mainly based on the amount of dye absorbed by the surface of TiO 2 . In this work, used natural dye extracted from leaves Rhoeo spathacea. The dye partially used to immerse of TiO 2 as working electrodes, and the rest are directly mixed TiO 2 paste to obtain dye titanium dioxide.The paste TiO 2 and dye titanium dioxide coated onto the fluorine-doped tin oxide (FTO) glass plate by spin coating method. The absorbance spectra of the dye, dye titanium dioxide and TiO 2 were obtained by UV-Vis spectroscopy. The conductivity of the dye, dye titanium dioxide, and TiO 2 was measured by two point probe El-Kahfi 100. The DSSC based on dye titanium dioxide that stirring for 5 hours the highest efficiency of 0,0520 % whereas those based on TiO 2 immersed for 36 hours showed achieved 0,0501 % obtained from I-V characterization. (paper)

Boron complexing with H-resorcinol and acidic hydroxyxanthene dyes

International Nuclear Information System (INIS)

Nazarenko, V.A.; Flyantikova, G.V.; Chekirda, T.N.

1984-01-01

Complex formation of boron with H-resorcinol (hr; 2,4-dihydroxybenzene-azo -8-hydroxynaphtalene-3,6-disulfonic acid) and acidic hydroxyxanthene dyes (hxd: fluorescein, eosine, erathrosine). Mixed-ligand complexes with a ratio of r:hr:hxd=1:1:1 are formed at pH=5-6. The chemism of the complex formation of boron with H-resorcinol and fluorescein has been studied. The stability consta nt of the complex is 1.12x10 21 , the conditional molar absorptivitis 1.80x10 0 . This complex formation reaction was used for photometric determination of boron in natural water

Laser Dyes

Indian Academy of Sciences (India)

amplification or generation of coherent light waves in the UV,. VIS, and near IR region. .... ciency in most flashlamp pumped dye lasers. It is used as reference dye .... have led to superior laser dyes with increased photostabilities. For instance ...

Fabrication and characterization of mixed dye: Natural and synthetic organic dye

Science.gov (United States)

Richhariya, Geetam; Kumar, Anil

2018-05-01

Mixed dye from hibiscus sabdariffa and eosin Y was employed in the fabrication of dye sensitized solar cell (DSSC). Nanostructured mesoporous film was prepared from the titanium dioxide (TiO2). The energy conversion efficiency of hibiscus, eosin Y and mixed dye was obtained as 0.41%, 1.53% and 2.02% respectively. Mixed DSSC has shown improvement in the performance of the cell as compared to hibiscus and eosin Y dye due to addition of synthetic organic dye. This illustrates the effect of synthetic organic dyes in performance enhancement of natural dyes. It has been credited to the improved absorption of light mainly in higher energy state (λ = 440-560 nm) when two dyes were employed simultaneously as was obvious from the absorption spectra of dyes adsorbed onto TiO2 electrode. The cell with TiO2 electrode sensitized by mixed dye gives short circuit current density (Jsc) = 4.01 mA/cm2, open circuit voltage (Voc) = 0.67 V, fill factor (FF) = 0.60 and energy conversion efficiency (η) of 2.02%.

Effect of metal ion Fe(III on the performance of chlorophyll as photosensitizers on dye sensitized solar cell

Directory of Open Access Journals (Sweden)

Harsasi Setyawati

Full Text Available The energy crisis is a major problem facing the world today and will need a renewable energy source that is environmentally friendly; one of these is the dye sensitized solar cell (DSSC. DSSC is photochemical electric cell that can convert solar energy into electrical energy. This research aims to study the characteristics of chlorophyll compounds with the addition of metal ions Fe(III and to determine the effect of Fe(III on the performance of chlorophyll as a photosensitizer in the DSSC. The formation of complex compounds of Fe(III-chlorophyll is shown by the phenomenon of metal ligand charge transfer (MLCT at a wavelength of 263.00 nm and absorption transition d-d at 745.00 nm. Fourier transform infrared characterization of the binding of Fe-O complex compounds appears at 486.06 cm−1. The complex compound of Fe(III-chlorophyll has a magnetic moment value of 9.62 Bohr Magneton (BM. The existence of ion Fe(III in chlorophyll can improve the performance of chlorophyll as a dye sensitizer with a maximum current of 4.00 mA/cm2, maximum voltage of 0.18 volts and efficiency values of 1.35%. Keywords: Fe(III-chlorophyll, Dye sensitized solar cell, Metal ligand charge transfer, Photosensitizer

2,4,6-Triamino-1,3,5-triazine-1,3-diium aquapentafluoridoaluminate

Directory of Open Access Journals (Sweden)

V. Maisonneuve

2008-04-01

Full Text Available The title compound, (C3H8N6[AlF5(H2O], was obtained by solvothermal synthesis from the reaction of aluminium hydroxide, 1,3,5-triazine-2,4,6-triamine (melamine, aqueous HF and water at 323 K for 48 h. The structure consists of [AlF5(H2O]2− octahedra and diprotonated melaminium cations. Cohesion is ensured by a three-dimensional network of hydrogen bonds.

Antiplasmodial activity of a series of 1,3,5-triazine-substituted polyamines

OpenAIRE

Klenke, Burkhard; Barrett, Michael P.; Brun, Reto; Gilbert, Ian H.

2017-01-01

Polyamine biosynthesis and function has been shown to be a good drug target in some parasitic protozoa and it is proposed that the pathway might also represent a target in the malaria parasite Plasmodium falciparum. A series of 1,3,5-triazine-substituted polyamine analogues were tested for activity against Plasmodium falciparum in vitro. The series showed activity against the parasites and were generally more active against the chloroquine-resistant line K1 than the chloroquine-susceptible li...

Treatment of dyeing wastewater including reactive dyes (Reactive ...

African Journals Online (AJOL)

Fungal growth was not observed at pH 2. Maximum fungal decolourisation ocurred at pH 3 for anionic reactive dyes (RR, RBB, RB) and pH 6 for cationic MB dye. The fungal dye bioremoval was associated with the surface charge of the fungus due to electrostatic interactions. Growing R. arrhizus strain decolourised 100% of ...

Application of solvent floatation to separation and determination of triazine herbicides in honey by high-performance liquid chromatography.

Science.gov (United States)

Wang, Kun; Jiang, Jia; Lv, Xinping; Zang, Shuang; Tian, Sizhu; Zhang, Hanqi; Yu, Aimin; Zhang, Ziwei; Yu, Yong

2018-03-01

Based on the foaming property of the honey, a rapid, simple, and effective method solvent floatation (SF) was developed and firstly applied to the extraction and separation of triazine herbicides in honey. The analytes were determined by high-performance liquid chromatography. Some parameters affecting the extraction efficiencies, such as the type and volume of extraction solvent, type of salt, amount of (NH 4 ) 2 SO 4 , pH value of sample solution, gas flow rate, and floatation time, were investigated and optimized. The limits of detection for analytes are in the range of 0.16-0.56 μg kg -1 . The recoveries and relative standard deviations for determining triazines in five real honey samples are in the range of 78.2-112.9 and 0.2-9.2%, respectively.

IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) (Public Comment Draft)

Science.gov (United States)

EPA is developing an Integrated Risk Information System (IRIS) assessment of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and has released the draft assessment for public comment. When final, the assessment will appear on the IRIS database.

Triazine containing N-rich microporous organic polymers for CO{sub 2} capture and unprecedented CO{sub 2}/N{sub 2} selectivity

Energy Technology Data Exchange (ETDEWEB)

Bhunia, Subhajit; Bhanja, Piyali; Das, Sabuj Kanti [Department of Material Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India); Sen, Tapas [Nanobiomaterials Research Group, Centre for Materials Science, School of Physical Sciences and Computing, University of Central Lancashire, Preston PR1 2HE (United Kingdom); Bhaumik, Asim, E-mail: msab@iacs.res.in [Department of Material Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

2017-03-15

Targeted synthesis of microporous adsorbents for CO{sub 2} capture and storage is very challenging in the context of remediation from green house gases. Herein we report two novel N-rich microporous networks SB-TRZ-CRZ and SB-TRZ-TPA by extensive incorporation of triazine containing tripodal moiety in the porous polymer framework. These materials showed excellent CO{sub 2} storage capacities: SB-TRZ-CRZ displayed the CO{sub 2} uptake capacity of 25.5 wt% upto 1 bar at 273 K and SB-TRZ-TPA gave that of 16 wt% under identical conditions. The substantial dipole quadruple interaction between network (polar triazine) and CO{sub 2} boosts the selectivity for CO{sub 2}/N{sub 2}. SB-TRZ-CRZ has this CO{sub 2}/N{sub 2} selectivity ratio of 377, whereas for SB-TRZ-TPA it was 97. Compared to other porous polymers, these materials are very cost effective, scalable and very promising material for clean energy application and environmental issues. - Graphical abstract: We report two novel N-rich microporous polymeric materials by doping of triazine containing tripodal dopant in the organic framework. These materials showed excellent CO{sub 2} storage capacities as high as 25.5 wt% under 1 bar pressure with exceptional CO{sub 2}/N{sub 2} selectivity of 377. - Highlights: • Triazine containing trimodal moiety incorporated in polycarbazolic and poly triphenylamine networks. • N-rich crosslinked polymers with high BET surface area and 1.5–1.7 nm size large micropores. • CO{sub 2} uptake capacity of 25.5 wt% upto 1 bar at 273 K. • These crosslinked porous polymers showed exceptional CO{sub 2}/N{sub 2} selectivity.

2-Phenyl-7-(4-pyridylmethylamino-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H-oneFused heterocyclic systems with s-triazine ring. Part 17. For part 16, see Dolzhenko et al. (2011.

Directory of Open Access Journals (Sweden)

Lip Lin Koh

2011-01-01

Full Text Available In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å. The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23°], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9°]. The amino group H atom is involved in intramolecular hydrogen bonding with a triazole N atom. In the crystal, molecules are connected via C(=ONH...N hydrogen bonds into C(11 chains parallel to [100]. The amino group H atom acts as a hydrogen-bond donor, forming an NH...O=C hydrogen bond with the carbonyl O atom, which links the molecules into C(6 chains running along [011] and [01overline{1}].

Theoretical study of indoline dyes for dye-sensitized solar cells

International Nuclear Information System (INIS)

Ham, Ho Wan; Kim, Young Sik

2010-01-01

Indoline dye sensitizers were designed and studied theoretically to increase molar extinction coefficients in the visible to near infrared region for solar-cell devices. To gain insight into dye sensitizers' structural, electronic, and optical properties, DFT/TDDFT calculations were performed on a series of dye sensitizers derived from the D149. The good agreement between the experimental and TDDFT calculated absorption spectra of the D149 sensitizer allowed us to provide a detailed assessment of the main spectral features of a series of dye sensitizers. Increase in the conjugation length resulted in a more red-shifted spectral response and less positive oxidation potential than that of the D149. The dye with the dimethylfluorene group showed stronger absorption bands due to a large dipole moment. The calculated dipoles for the dye series correlate well with the observed strong absorption bands of the electronic spectra. These results provided useful clues for the molecular engineering of efficient organic dye sensitizers.

Biochemical study of some environmental pollutants dyes Part II: disperse dyes

International Nuclear Information System (INIS)

Shakra, S.; Ahmed, F.A.; Fetyan, N.A.

2005-01-01

This work was aimed to develop a method for removal of the dyes color from the textile wastewater that is well be much less costly than the other chemical or physical methods used. It therefore included: 1. Preparation of three disperses dyes. 2. Isolation of dyes degradable microorganisms from wastewater effluents and soil after adding 200 ppm of each dye individually. 3. Decolorisation and biodegradation of the dyes in liquid culture of the isolated bacteria (Bacillus thuringiensis). 4. Identification of the probable byproducts by different instruments. 5. Toxicity assessment of the dyes and their biodegraded products

Packed in-tube solid phase microextraction with graphene oxide supported on aminopropyl silica: Determination of target triazines in water samples.

Science.gov (United States)

De Toffoli, Ana L; Fumes, Bruno H; Lanças, Fernando M

2018-02-22

On-line in-tube solid phase microextraction (in-tube SPME) coupled to high performance liquid chromatography and tandem mass spectrometry (HPLC-MS/MS) was successfully applied to the determination of selected triazines in water samples. The method based on the employment of a packed column containing graphene oxide (GO) supported on aminopropyl silica (Si) showed that the extraction phase has a high potential for triazines extraction aiming to its physical-chemical properties including ultrahigh specific surface area, good mechanical and thermal stability and high fracture strength. Injection volume and loading time were both investigated and optimized. The method validation using Si-GO to extract and concentrate the analytes showed satisfactory results, good sensitivity, good linearity (0.2-4.0 µg L -1 ) and low detection limits (1.1-2.9 ng L -1 ). The high extraction efficiency was determined with enrichment factors ranging from 1.2-2.9 for the lowest level, 1.3-4.9 intermediate level and 1.2-3.0 highest level (n = 3). Although the analytes were not detected in the real samples evaluated, the method has demonstrated to be efficient through its application in the analysis of spiked triazines in ground and mineral water samples.

Synthesis, characterization and dyeing behavior of heterocyclic acid dyes and mordent acid dyes on wool and silk fabrics

Directory of Open Access Journals (Sweden)

Patel Hitendra M.

2012-01-01

Full Text Available Novel heterocyclic acid and mordent acid dyes were synthesized by the coupling of diazonium salt solution of different aromatic amines with 2- butyl-3-(4-hydroxybenzoylbenzofuran. The resulting heterocyclic acid dyes were characterized by spectral techniques, i.e., elemental analysis, IR, 1HNMR, 13C-NMR spectral studies and UV- visible spectroscopy. The dyeing performance of all the heterocyclic acid dyes was evaluated on wool and silk fabrics. The dyeing of chrome pre treated wool and silk fabrics showed better hues on mordented fabrics. Dyeing of wool and silk fabrics resulted in pinkish blue to red shades with very good depth and levelness. The dyed fabrics showed excellent to very good light, washing, perspiration, sublimation and rubbing fastness.

Iron-catalyzed intermolecular cycloaddition of diazo surrogates with hexahydro-1,3,5-triazines.

Science.gov (United States)

Liu, Pei; Zhu, Chenghao; Xu, Guangyang; Sun, Jiangtao

2017-09-26

We report here an unprecedented iron-catalyzed cycloaddition reaction of diazo surrogates with hexahydro-1,3,5-triazines, providing five-membered heterocycles in moderate to high yields under mild reaction conditions. This cycloaddition features C-N and C-C bond formation using a cheap iron catalyst. Importantly, different to our former report on a gold-catalyzed system, both donor/donor and donor/acceptor diazo substrates are tolerated in this iron-catalyzed protocol.

Polydimethylsiloxane/MIL-100(Fe) coated stir bar sorptive extraction-high performance liquid chromatography for the determination of triazines in environmental water samples.

Science.gov (United States)

Lei, Yun; Chen, Beibei; You, Linna; He, Man; Hu, Bin

2017-12-01

Polydimethylsiloxane (PDMS)/MIL-100(Fe) coated stir bar was prepared by sol gel technique, and good preparation reproducibility was achieved with relative standard deviations (RSDs) ranging from 2.6% to 7.5% (n=7) and 3.6% to 10.8% (n=7) for bar-to-bar and batch-to-batch, respectively. Compared with commercial PDMS coated stir bar (Gerstel) and PEG coated stir bar (Gerstel), the prepared PDMS/MIL-100(Fe) stir bar showed better extraction efficiency for target triazines compounds. It also exhibited relatively fast extraction/desorption kinetics and long lifespan. Based on it, a method of PDMS/MIL-100(Fe) coated stir bar sorptive extraction (SBSE)-high performance liquid chromatography-ultraviolet detector (HPLC-UV) was developed for the determination of six triazines (simazine, atrazine, prometon, ametryn, prometryne and prebane) in environmental water samples. Several parameters affecting SBSE of six target triazines including extraction time, stirring rate, sample pH, ionic strength, desorption solvent and desorption time were investigated. Under the optimal experimental conditions, the limits of detection (LODs, S/N=3) were found to be in the range of 0.021-0.079μgL -1 . The repeatability RSDs were in the range of 2.3-6.3% (n=7, c=0.5μgL -1 ) and the enrichment factors (EFs) ranged from 51.1 to 102-fold (theoretical EF was 200-fold). The proposed method was applied to the analysis of target triazines in environmental water samples, with recoveries of 98.0-118% and 94.0-107% for spiked East Lake water and local pond water samples, respectively. Copyright © 2017. Published by Elsevier B.V.

Preparation, morphologies and thermal behavior of high nitrogen compound 2-amino-4,6-diazido-s-triazine and its derivatives

Czech Academy of Sciences Publication Activity Database

Yan, Q.-L.; Musil, T.; Zeman, S.; Matyáš, R.; Shi, X.-B.; Vlček, Milan; Pelikán, V.

2015-01-01

Roč. 604, 20 March (2015), s. 106-114 ISSN 0040-6031 Institutional support: RVO:61389013 Keywords : azido-s-triazine * decomposition * high nitrogen compounds Subject RIV: CA - Inorganic Chemistry Impact factor: 1.938, year: 2015

Facial One-Pot Synthesis of D 3h Symmetric Bicyclocalix[2]arene[2]triazines and Their Layered Comb Self-Assembly

KAUST Repository

Chen, Yin

2017-11-23

A number of D3h symmetric bicyclocalix[2]arene[2]triazine core compounds were synthesized via a general and good-yielding (43-48% yield) facile protocol starting from cyanuric halides, phloroglucinol and K2CO3 under very mild reaction conditions. These cage-like compounds are tolerate with different reaction conditions and can be derived with other functional groups in high yield. The X-ray crystal structures show these compounds have slightly distorted D3h symmetric structures. Due to the unique molecular topological structure, bicyclocalix[2]arene[2]triazine molecules form unique layered comb networks when hydrogen bond groups exist (such as CO2H, B(OH)2), which represent a new kind of building block unit for supramolecular architectures.

IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) (External Review Draft)

Science.gov (United States)

The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis suppor...

Studies on Dyeing Performance of Novel Acid Azo Dyes and Mordent Acid Azo Dyes Based on 2,4-Dihydroxybenzophenone

Directory of Open Access Journals (Sweden)

Bharat C. Dixit

2009-01-01

Full Text Available Novel acid azo and mordent acid azo dyes have been prepared by the coupling of diazo solution of different aminonaphthol sulphonic acids and aromatic amino acids with 2,4-dihydroxybenzophenone. The resultant dyes were characterized by elemental analysis as well as IR and 1H NMR spectral studies. The UV-visible spectral data have also been discussed in terms of structure property relationship. The dyeing assessments of all the dyes were evaluated on wool and silk textile fibers. The dyeing of chrome pretreated wool and silk have also been monitored. The result shows that better hue was obtained on mordented fiber. Results of bactericidal studies of chrome pretreated fibers revealed that the toxicity of mordented dyes against bacteria is fairly good. Dyeing on wool and silk fibers resulted in yellowish pink to reddish brown colourations having excellent light fastness and washing fastness.

WATERLESS DYEING [REVIEW

Directory of Open Access Journals (Sweden)

DEVRENT Nalan

2015-05-01

Full Text Available The textile industry is believed to be one of the biggest consumers of water. Water consumption and exhaustion in dyeing textile materials in conventional methods is an important environmental problem. The cost of waste water treatment will cause a prominent problem in the future as it does today. Increasing consideration of ecologic consequences of industrial processes as well as legislation enforcing the avoidance of environmental problems have caused a reorientation of thinking and promoted projects for replacement of conventional technologies. One of these new technologies is dyeing in supercritical fluids. Dyeing with supercritical carbon dioxide is a favourable concept considering the value of water as a natural resource and the cost of waste water treatment. This dyeing method offers many advantages over conventional aqueous dyeing: During this dyeing process no water is used, therefore there is no waste water problem, no other chemicals are required; the carbon dioxide can be recycled; the dystuff which is not adsorbed on the substrate can be collected and reused; The necessary energy consumption in this process is relatively lower than is needed to heat water in conventional methods of dyeing. Due to unnecessary of drying process, it helps to save both energy and time; and dyeing cycle is shorter compared with traditional methods. In addition carbon dioxide is non-toxic and non-flammable. Supercritical fluid, supercritical dyeing, disperse dyestuffs, solid-fluid equilibrium

Effects of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites on cricket (Acheta domesticus) survival and reproductive success

Energy Technology Data Exchange (ETDEWEB)

Zhang Baohong [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Freitag, Christina M. [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Canas, Jaclyn E. [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Cheng Qiuqiong [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States); Anderson, Todd A. [Institute of Environmental and Human Health (TIEHH), and Department of Environmental Toxicology, Texas Tech University, Box 41163, Lubbock, TX 79409-1163 (United States)]. E-mail: todd.anderson@tiehh.ttu.edu

2006-11-15

The effect of two major hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites, hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX), on cricket (Acheta domesticus) survival and reproduction was studied. RDX metabolites did not have adverse effects on cricket survival, growth, and egg production. However, MNX and TNX did affect egg hatching. MNX and TNX were more toxic in spiked-sand than in topical tests. TNX was more toxic to egg than MNX. Developmental stage and exposure time affected hatching. After 30 days exposure to MNX or TNX, the EC{sub 2}, EC{sub 5}, and EC{sub 95} were 47, 128, and 247 {mu}g/g for TNX, and 65, 140, and 253 {mu}g/g for MNX in topical tests. The ECs for 20, 50, and 95 were 21, 52, and 99 {mu}g/g for MNX, and 12, 48, and 97 {mu}g/g for TNX in sand. No gross abnormalities in cricket nypmhs were observed in all experiments indicating that neither TNX or MNX is teratogenic in this assay. - RDX metabolites did not have adverse effects on cricket survival, growth, and egg production, but adversely affected egg hatching.

Effects of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites on cricket (Acheta domesticus) survival and reproductive success

International Nuclear Information System (INIS)

Zhang Baohong; Freitag, Christina M.; Canas, Jaclyn E.; Cheng Qiuqiong; Anderson, Todd A.

2006-01-01

The effect of two major hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolites, hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX), on cricket (Acheta domesticus) survival and reproduction was studied. RDX metabolites did not have adverse effects on cricket survival, growth, and egg production. However, MNX and TNX did affect egg hatching. MNX and TNX were more toxic in spiked-sand than in topical tests. TNX was more toxic to egg than MNX. Developmental stage and exposure time affected hatching. After 30 days exposure to MNX or TNX, the EC 2 , EC 5 , and EC 95 were 47, 128, and 247 μg/g for TNX, and 65, 140, and 253 μg/g for MNX in topical tests. The ECs for 20, 50, and 95 were 21, 52, and 99 μg/g for MNX, and 12, 48, and 97 μg/g for TNX in sand. No gross abnormalities in cricket nypmhs were observed in all experiments indicating that neither TNX or MNX is teratogenic in this assay. - RDX metabolites did not have adverse effects on cricket survival, growth, and egg production, but adversely affected egg hatching

A Novel Brominated Triazine-based Flame Retardant (TTBP-TAZ) in Plastic Consumer Products and Indoor Dust

NARCIS (Netherlands)

Ballesteros Gomez, A.M.; de Boer, J.; Leonards, P.E.G.

2014-01-01

The presence of a novel brominated flame retardant named 2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine (TTBP-TAZ) is reported for the first time in plastic parts of consumer products and indoor dust samples. TTBP-TAZ was identified by untargeted screening and can be a replacement of the banned

Increased light harvesting in dye-sensitized solar cells with energy relay dyes

KAUST Repository

Hardin, Brian E.

2009-06-21

Conventional dye-sensitized solar cells have excellent charge collection efficiencies, high open-circuit voltages and good fill factors. However, dye-sensitized solar cells do not completely absorb all of the photons from the visible and near-infrared domain and consequently have lower short-circuit photocurrent densities than inorganic photovoltaic devices. Here, we present a new design where high-energy photons are absorbed by highly photoluminescent chromophores unattached to the titania and undergo Förster resonant energy transfer to the sensitizing dye. This novel architecture allows for broader spectral absorption, an increase in dye loading, and relaxes the design requirements for the sensitizing dye. We demonstrate a 26% increase in power conversion efficiency when using an energy relay dye (PTCDI) with an organic sensitizing dye (TT1). We estimate the average excitation transfer efficiency in this system to be at least 47%. This system offers a viable pathway to develop more efficient dye-sensitized solar cells.

A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations

Energy Technology Data Exchange (ETDEWEB)

Holland, D.M.P., E-mail: david.holland@stfc.ac.uk [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Shaw, D.A. [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Stener, M.; Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); CNR-IOM, Trieste (Italy); Coriani, S. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); Aarhus Institute of Advanced Studies, Aarhus University, 8000 Aarhus C (Denmark)

2016-09-30

Highlights: • The valence shell photoabsorption spectrum of s-triazine has been measured. • Electronic structure calculated with TDDFT and coupled cluster approaches. • Assignments proposed for Rydberg and valence states. • Mixing between Rydberg and valence states important. - Abstract: The absolute photoabsorption cross section of s-triazine has been measured between 4 and 40 eV, and is dominated by bands associated with valence states. Structure due to Rydberg excitations is both weak and irregular. Jahn-Teller interactions affect the vibronic structure observed in the Rydberg absorption bands due to excitation from the 1e″ or 6e′ orbitals. The interpretation of the experimental spectrum has been guided by transition energies and oscillator strengths, for Rydberg and valence states, calculated with the time-dependent version of density functional theory and with the coupled cluster linear response approach. The theoretical studies indicate that Rydberg/Rydberg and Rydberg/valence mixing is important.

Incorporating Multiple Energy Relay Dyes in Liquid Dye-Sensitized Solar Cells

KAUST Repository

Yum, Jun-Ho

2011-01-05

Panchromatic response is essential to increase the light-harvesting efficiency in solar conversion systems. Herein we show increased light harvesting from using multiple energy relay dyes inside dye-sensitized solar cells. Additional photoresponse from 400-590 nm matching the optical window of the zinc phthalocyanine sensitizer was observed due to Förster resonance energy transfer (FRET) from the two energy relay dyes to the sensitizing dye. The complementary absorption spectra of the energy relay dyes and high excitation transfer efficiencies result in a 35% increase in photovoltaic performance. © 2011 Wiley-VCH Verlag GmbH& Co. KGaA.

Ag-ligand modified tungstovandates and their efficient catalysis degradation properties for methylene blue

Energy Technology Data Exchange (ETDEWEB)

Zheng, Ran; Zhang, Huixia; Liu, Yunping; Wang, Xiaoxiao; Han, Zhangang, E-mail: hanzg116@126.com

2017-02-15

Two polytungstovandates [Ag(mbpy){sub 2}][Ag{sub 2}(mbpy){sub 3}][VW{sub 5}O{sub 19}]·H{sub 2}O (1) and [Ag(mbpy)]{sub 2}[Ag(mbpy){sub 2}]{sub 4}[VW{sub 12}O{sub 40}] (2) (mbpy =4,4′-dimethyl-2,2′-bipyridyl), had been hydrothermally synthesized and characterized by IR, TG, and single-crystal X-ray diffraction techniques. Single-crystal structural analysis revealed that the polyanionic clusters in two compounds are different: Lindqvist-type in 1 and α-Keggin-type in 2, respectively, while the cationic moieties in them are Ag-mbpy units. The experiments showed that this kind of hybrid crystal materials possesses more efficiently catalytic performance for the degradation of organic dye methylene blue (MB) in water solution under the UV irradiation. The significant degradation rate of MB can reach 89.9%, 94.9% by crystals 1 and 2 (40 mg) in the course of about 5 min. - Graphical abstract: Two Ag-ligand modified polytungstovandates had been synthesized and characterized, which were active in the catalytic degradation of organic dye methylene blue under the UV irradiation. - Highlights: • Two Ag-ligand modified tungstovandates were synthesized and characterized. • Weak interactions play important roles in constructing crystal frameworks. • Compounds are active to catalyze the degradation of methylene blue.

Dyes for displays

Science.gov (United States)

Claussen, U.

1984-01-01

The improvement of contrast and visibility of LCD by two different means was undertaken. The two methods are: (1) development of fluorescent dyes to increase the visibility of fluorescent activated displays (FLAD); and (2) development of dichroic dyes to increase the contrast of displays. This work was done in close cooperation with the electronic industry, where the newly synthesized dyes were tested. The targets for the chemical synthesis were selected with the help of computer model calculations. A marketable range of dyes was developed. Since the interest of the electronic industries concerning FLAD was low, the investigations were stopped. Dichroic dyes, especially black mixtures with good light fastness, order parameter, and solubility in nematic phases were developed. The application of these dyes is restricted to indoor use because of an increase of viscosity below -10 C. Applications on a technical scale, e.g., for the automotive industry, will be possible if the displays work at temperatures down to -40 C. This problem requires a complex optimization of the dye/nematic phase system.

Tunable Microfluidic Dye Laser

DEFF Research Database (Denmark)

Olsen, Brian Bilenberg; Helbo, Bjarne; Kutter, Jörg Peter

2003-01-01

We present a tunable microfluidic dye laser fabricated in SU-8. The tunability is enabled by integrating a microfluidic diffusion mixer with an existing microfluidic dye laser design by Helbo et al. By controlling the relative flows in the mixer between a dye solution and a solvent......, the concentration of dye in the laser cavity can be adjusted, allowing the wavelength to be tuned. Wavelength tuning controlled by the dye concentration was demonstrated with macroscopic dye lasers already in 1971, but this principle only becomes practically applicable by the use of microfluidic mixing...

Solution processable titanium dioxide precursor and nanoparticulated ink: application in Dye Sensitized Solar Cells.

Science.gov (United States)

Bosch-Jimenez, Pau; Yu, Youhai; Lira-Cantu, Mónica; Domingo, Concepción; Ayllón, José A

2014-02-15

Colloidal TiO2 anatase nanoparticles of 4-8 nm diameter capped with 3,6,9-trioxadecanoic acid (TODA) were synthesized at low temperature using water and ethanol as the solvents. ATR-FTIR and (1)H NMR characterization showed the capping acid capability of stabilizing the TiO2 nanoparticles through labile hydrogen bonds. The presence of the capping ligand permitted the further preparation of homogeneous and stable colloidal dispersions of the TiO2 powder in aqueous media. Moreover, after solvent evaporation, the ligand could be easily eliminated by soft treatments, such as UV irradiation or low-temperature thermal annealing. These properties have been used in this work to fabricate mesoporous TiO2 electrodes, which can be applied as photoanodes in Dye Sensitized Solar Cells (DSSCs). For the preparation of the electrodes, the as-synthesized mesoporous TiO2 nanoparticles were mixed with commercial TiO2 (Degussa P25) and deposited on FTO substrates by using the doctor blade technique. A mixture of water and ethanol was used as the solvent. A soft thermal treatment at 140 °C for 2h eliminated the organic compound and produced a sintered mesoporous layer of 6 μm thickness. The photovoltaic performance of the DSSCs applying these electrodes sensitized with the N3 dye resulted in 5.6% power conversion efficiency. Copyright © 2013 Elsevier Inc. All rights reserved.

Hormonal changes in spring barley after triazine herbicide treatment and its mixtures of regulators of polyamine biosynthesis

Directory of Open Access Journals (Sweden)

Pavol Trebichalský

2017-01-01

Full Text Available Plants adapt to abiotic stress by undergoing diverse biochemical and physiological changes that involve hormone-dependent signalling pathways. The effects of regulators of polyamine biosynthesis can be mimicked by exogenous chemical regulators such as herbicide safeners, which not only enhance stress tolerance but also confer hormetic benefits such as increased vigor and yield. The phytohormones, abscisic acid (ABA and auxin (IAA play key roles in regulating stress responses in plants. Two years pot trials at Slovak University of agriculture Nitra were carried out with analyses of contents of plant hormones in spring barley grain of variety Kompakt: indolyl-acetic acid (IAA and abscisic acid (ABA, after exposing of tested plants to herbicide stress, as well as the possible decrease of these stress factors with application of regulators of polyamine synthesis was evaluated. At 1st year in spring barley grain after application of solo triazine herbicide treatment in dose 0,5 L.ha-1 an increase of all analyzed plant hormones was observed and contrary, at 2nd year there was the decrease of their contents. From our work there is an obvious influence of herbicide stress induced by application of certain dose of triazine herbicide at 1st year. Expect of the variant with mixture of triazine herbicide (in amount of 0,5 L.ha-1 and 29,6 g.ha-1 DAB, at this year all by us applied regulators of polyamine synthesis reduced the level of both plant hormones. Higher affect of stress caused by enhanced content of soluble macroelements in soil where the plants of barley were grown was observed next year. Soil with increased contents of macronutrients (mg.kg-1: N30.7 + P108.3 + K261.5 + Mg604.2 had reducing effect on contents of plant hormones in barley grain at variant treated with solo triazine herbicide (in dose at 0,5 L.ha-1 in comparison to control variant. The mixtures of regulators of polyamine synthesis reduced the contents of IAA only in comparison to

Ultrasound for low temperature dyeing of wool with acid dye.

Science.gov (United States)

Ferrero, F; Periolatto, M

2012-05-01

The possibility of reducing the temperature of conventional wool dyeing with an acid levelling dye using ultrasound was studied in order to reach exhaustion values comparable to those obtained with the standard procedure at 98 °C, obtaining dyed samples of good quality. The aim was to develop a laboratory method that could be transferred at industrial level, reducing both the energy consumption and fiber damage caused by the prolonged exposure to high temperature without the use of polluting auxiliary agents. Dyeings of wool fabrics were carried out in the temperature range between 60 °C and 80 °C using either mechanical or ultrasound agitation of the bath and coupling the two methods to compare the results. For each dyeing, the exhaustion curves of the dye bath were determined and the better results of dyeing kinetics were obtained with ultrasound coupled with mechanical stirring. Hence the corresponding half dyeing times, absorption rate constants according to Cegarra-Puente modified equation and ultrasonic efficiency were calculated in comparison with mechanical stirring alone. In the presence of ultrasound the absorption rate constants increased by at least 50%, at each temperature, confirming the synergic effect of sonication on the dyeing kinetics. Moreover the apparent activation energies were also evaluated and the positive effect of ultrasound was ascribed to the pre-exponential factor of the Arrhenius equation. It was also shown that the effect of ultrasound at 60 °C was just on the dye bath, practically unaffecting the wool fiber surface, as confirmed by the results of SEM analysis. Finally, fastness tests to rubbing and domestic laundering yielded good values for samples dyed in ultrasound assisted process even at the lower temperature. These results suggest the possibility, thanks to the use of ultrasound, to obtain a well equalized dyeing on wool working yet at 60°C, a temperature process strongly lower than 98°C, currently used in industry

DYEING COTTON WITH EISENIA BICYCLIS AS NATURAL DYE USING DIFFERENT BIOMORDANTS

Directory of Open Access Journals (Sweden)

BONET Mª Ángeles

2015-05-01

Full Text Available Natural dyes are known for their use in coloring of food substrate, leather as well as natural protein fibers like wool, silk and cotton as major areas of application since pre-historic times. Nowadays, there has been revival of the growing interest on the application of natural dyes on natural fibers due to worldwide environmental consciousness. Some researchers focus their studies on the improvement of these dyes using mordants. Most works use metallic mordants like aluminum or iron are used, but some of them are hazardous. In this work we used a biomordant to solve environmental problems caused by metallic mordants. The effects of chitosan weight molecular in mordanting on the dyeing characteristics and the UV protection property were examined in this study. Chitosan mordanted Eisenia Bicyclis dyed cotton showed better dyeing characteristic and higher UV protection property compared with undyed cotton fabric. To analyze the differences of the dyeing, reflection spectrophotometer was used, evaluating the results of CIELAB color difference values and the strength color (in terms of K/S value. We conclude that the type of chitosan used affect the dyeing efficiency and the UV protection, showing different behavior between dye sample using chitosan with low or medium molecular weight.

Photostability of low cost dye-sensitized solar cells based on natural and synthetic dyes

Science.gov (United States)

Abdou, E. M.; Hafez, H. S.; Bakir, E.; Abdel-Mottaleb, M. S. A.

2013-11-01

This paper deals with the use of some natural pigments as well as synthetic dyes to act as sensitizers in dye-sensitized solar cells (DSSCs). Anthocyanin dye extracted from rosella (Hibiscus sabdariffa L.) flowers, the commercially available textile dye Remazole Red RB-133 (RR) and merocyanin-like dye based on 7-methyl coumarin are tested. The photostability of the three dyes is investigated under UV-Vis light exposure. The results show a relatively high stability of the three dyes. Moreover, the photostability of the solid dyes is studied over the TiO2 film electrodes. A very low decolorization rates are recorded as; rate constants k = 1.6, 2.1 and 1.9 × 10-3 min-1 for anthocyanin, RR and coumarin dyes, respectively. The stability results favor selecting anthocyanin as a promising sensitizer candidate in DSSCs based on natural products. Dyes-sensitized solar cells are fabricated and their conversion efficiency (η) is 0.27%, 0.14% and 0.001% for the anthocyanin, RR and coumarin dyes, respectively. Moreover, stability tests of the sealed cells based on anthocyanin and RR dyes are done under continuous light exposure of 100 mW cm-2, reveals highly stable DSSCs.

Effect of Mixing Dyes and Solvent in Electrolyte Toward Characterization of Dye Sensitized Solar Cell Using Natural Dyes as The Sensitizer

Science.gov (United States)

Puspitasari, Nurrisma; Nurul Amalia, Silviyanti S.; Yudoyono, Gatut; Endarko

2017-07-01

Dye Sensitized Solar Cell (DSSC) using natural dyes (chlorophyll, curcumin from turmeric extract, and anthocyanin from mangosteen extract) have been successfully fabricated for determining the effect of variation natural dyes, mixing dyes and acetonitrile in electrolyte toward characterization of DSSC. DSSC consists of five parts namely ITO (Indium Tin Oxide) as a substrate; TiO2 as semiconductor materials; natural dyes as an electron donor; electrolyte as electron transfer; and carbon as a catalyst that can convert light energy into electric energy. Two types of gel electrolyte based on PEG that mixed with liquid electrolyte have utilized for analyzing the lifetime of DSSC. Type I used distilled water as a solvent whilst type II used acetonitrile as a solvent with addition of concentration of KI and iodine. The main purpose of study was to investigate influence of solvent in electrolyte, variation of natural dyes and mixing dyes toward an efficiency that resulted by DSSC. The result showed that electrolyte type II is generally better than type I with efficiency 0,0556 and 0,0456 %, respectively. An efficiency values which resulted from a variation of mixed three natural dyes showed the greatest efficiency compared to mixed two natural dyes and one dye, with an efficiency value can be achieved at 0,0194 % for chlorophyll; 0,111 % for turmeric; 0,0105 % for mangosteen; 0,0244% (mangosteen and chlorophyll); 0,0117 % (turmeric and mangosteen); 0,0158 % (turmeric and chlorophyll); and 0.0566 % (mixed three natural dyes).

4,4-Dimethyl-3,4-dihydropyrido[2′,3′:3,4]pyrazolo[1,5-a][1,3,5]triazin-2-amine ethanol monosolvateFused heterocyclic systems with s-triazine ring. Part 16. for part 15, see Sachdeva et al. (2010.

Directory of Open Access Journals (Sweden)

Lip Lin Koh

2011-01-01

Full Text Available In the title compound, C10H12N6·C2H5OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191 Å, which adopts a conformation best described as intermediate between a flattened twisted boat and a half-boat with the tertiary Csp3 atom at the bow. In the crystal, molecules form centrosymmetric dimers connected by N...H—O and O...H—N hydrogen bonds between the amino group H atom, the ethanol solvent molecule and the triazine N atom, making an R44(12 graph-set motif. The other H atom of the amino group and the H atom on the endocyclic N atom form N...H—N hydrogen bonds with the N atoms of the pyrazole and pyridine rings, respectively, linking the molecules into C(7C(7 chains with the R22(8 binary graph-set motif running along [010].

Two new coordination polymers constructed by naphthalene-1,4-dicarboxylic acid and 2,4-diamino-6-methyl-triazine

Energy Technology Data Exchange (ETDEWEB)

Li, Yamin, E-mail: liyamin@henu.edu.cn [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Xiao, Changyu [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhang, Xudong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Xu, Yanhui [Department of Medical Imaging, Bethune Medical Non-Commissioned Officer' s, College, Shijiazhuang, Hebei 050081 (China); Li, Junrui; Lun, Huijie; Chen, Qi [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

2013-08-15

Two new transition metal coordination complexes, ([MnO(nda)](H{sub 2}dmt)(H{sub 2}O)){sub n} (1), [Ag{sub 5}(nda){sub 2.5}(dmt)]{sub n} (2), (H{sub 2}nda=naphthalene-1,4-dicarboxylic acid, dmt=2,4-diamine-6-methyl-1,3,5-triazine) have been hydrothermally synthesized by the reactions of H{sub 2}nda and dmt with the homologous MnCl{sub 2}·4H{sub 2}O and AgNO{sub 3}, respectively, and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis, thermogravimetric analysis (TGA). The compound 1 exhibits a 3D network comprising 1D metal chain (MnO(CO{sub 2}){sub 2}){sub n} connected by the ligand nda{sup 2−}, featuring a four-connected uninodal diamond -like topology. In compound 2, it is firstly observed that decanuclear silver units as secondary building units to construct 3D network by the ligands dmt and nda{sup 2−}, with a rare 2-nodal (3,8)-connected tfz-d topology ((4{sup 3}){sub 2}(4{sup 6}.6{sup 18}.8{sup 4})). The interactions within each Mn(II)—Mn(II) pair of compound 1 are antiferromagnetic (g=2.07, J=−1.42(1) cm{sup −1}, zj′=−0.73(2) cm{sup −1}). In addition, compound 2 exhibits photoluminescent property at about 472 nm (λ{sub ex}=394 nm). - Graphical abstract: Two new transition metal coordination complexes 1–2 have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis thermogravimetric analysis (TGA). Highlights: • The compound 1 exhibits a 3D network with four-connected uninodal diamond-like topology. • The first 3D network of 2 with a rare tfz-d topology consists of decanuclear silver clusters as secondary building units. • The magnetic measurement indicates the compound 1 shows antiferromagnetic interactions. • The photoluminescent property of 2 has been measured.

Chromatography of metal ions with a triazine chelating resin

International Nuclear Information System (INIS)

Wang, W.N.

1979-05-01

The synthesis, characterization, and some analytical applications of a new triazine resin are described. Separation of group IB, IIB, VIB, and VIIB metal ions from group VIII metal ions is achieved by this PDT-4 resin. Calcium(II) and magnesium(II) are taken up at pH = 6, 0.1 M acetate and are eluted at pH = 6, 0.1 M sodium nitrate. Copper(II) is retained at pH = 6, 0.1 M acetate and pH = 1 hydrochloric acid and is eluted subsequently by 5 M perchloric acid. Molybdenum(VI) is sorbed selectively from 0.1 N sulfuric acid or hydrochloric acid and is eluted in a tight band by 0.1 N sodium hydroxide. Numerous rapid column chromatographic separations are reported using this new resin, including analysis of NBS standard samples

High Excitation Transfer Efficiency from Energy Relay Dyes in Dye-Sensitized Solar Cells

KAUST Repository

Hardin, Brian E.

2010-08-11

The energy relay dye, 4-(Dicyanomethylene)-2-methyl-6-(4- dimethylaminostyryl)-4H-pyran (DCM), was used with a near-infrared sensitizing dye, TT1, to increase the overall power conversion efficiency of a dye-sensitized solar cell (DSC) from 3.5% to 4.5%. The unattached DCM dyes exhibit an average excitation transfer efficiency (EÌ?TE) of 96% inside TT1-covered, mesostructured TiO2 films. Further performance increases were limited by the solubility of DCM in an acetonitrile based electrolyte. This demonstration shows that energy relay dyes can be efficiently implemented in optimized dye-sensitized solar cells, but also highlights the need to design highly soluble energy relay dyes with high molar extinction coefficients. © 2010 American Chemical Society.

Spectroscopic investigation of complexation of Cm(III) und Eu(III) with partitioning-relevant N-donor ligands

International Nuclear Information System (INIS)

Bremer, Antje

2014-01-01

The separation of trivalent actinides and lanthanides is an essential part of the development of improved nuclear fuel cycles. Liquid-liquid extraction is an applicable technique to achieve this separation. Due to the chemical similarity and the almost identical ionic radii of trivalent actinides and lanthanides this separation is, however, only feasible with highly selective extracting agents. It has been proven that molecules with soft sulphur or nitrogen donor atoms have a higher affinity for trivalent actinides. In the present work, the complexation of Cm(III) and Eu(III) with N-donor ligands relevant for partitioning has been studied by time-resolved laser fluorescence spectroscopy (TRLFS). This work aims at a better understanding of the molecular reason of the selectivity of these ligands. In this context, enormous effort has been and is still put into detailed investigations on BTP and BTBP ligands, which are the most successful N-donor ligands for the selective extraction of trivalent actinides, to date. Additionally, the complexation and extraction behavior of molecules which are structurally related to these ligands is studied. The ligand C5-BPP (2,6-bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine) where the triazine rings of the aromatic backbone of the BTP ligands have been replaced by pyrazole rings is one of these molecules. Laser fluorescence spectroscopic investigation of the complexation of Cm(III) with this ligand revealed stepwise formation of three (Cm(C5-BPP) n ) 3+ complexes (n = 1 - 3). The stability constant of the 1:3 complex was determined (log β 3 = 14.8 ± 0.4). Extraction experiments have shown that, in contrast to BTP and BTBP ligands, C5-BPP needs an additional lipophilic anion source such as a 2-bromocarboxylic acid to selectively extract trivalent actinides from nitric acid solutions. The comparison of the stability constant of the (Cm(C5-BPP) 3 ) 3+ complex with the stability constant of the (Cm(nPr-BTP) 3 ) 3+ complex

The effect of 4-tert-butylpyridine and Li+ on the thermal degradation of TiO2 – bound ruthenium dye N719

DEFF Research Database (Denmark)

Phuong, Nguyen Tuyet; Hansen, Poul Erik; Lund, Torben

The ruthenium dyes N719, Z907 and C106 with the general structures [RuLL’(NCS)2)] degrade slowly at elevated temperatures (t > 80 ˚C) on the surface of nano-sized TiO2 particles. The degradation takes place by reversible nucleophilic substitution reactions in which one of the thiocyanate ligands ...

Anaerobic azo dye reduction

OpenAIRE

Zee, van der, F.P.

2002-01-01

Azo dyes, aromatic moieties linked together by azo (-N=N-) chromophores, represent the largest class of dyes used in textile-processing and other industries. The release of these compounds into the environment is undesirable, not only because of their colour, but also because many azo dyes and their breakdown products are toxic and/or mutagenic to life. To remove azo dyes from wastewater, a biological treatment strategy based on anaerobic reduction of the azo dye...