Nonpolar solvation dynamics for a nonpolar solute in room ...

Indian Academy of Sciences (India)

Sandipa Indra

2018-01-30

Jan 30, 2018 ... Keywords. Solvation dynamics; nonpolar solvation; ionic liquid; molecular dynamics; linear response theory. 1. ... J. Chem. Sci. (2018) 130:3 spectrum of the excited probe molecule for imida- .... Therefore, the solute and the RTIL ions interact only ... interval of 30 ps from a long equilibrium trajectory of dura-.

Accounting for the dissociating properties of organic chemicals in LCIA: An uncertainty analysis applied to micropollutants in the assessment of freshwater ecotoxicity

International Nuclear Information System (INIS)

Morais, Sérgio Alberto; Delerue-Matos, Cristina; Gabarrell, Xavier

2013-01-01

Highlights: ► Fate parameters of dissociating chemicals were estimated and applied to an LCIA model. ► Results were compared to the default model using non-polar partitioning regressions. ► Negligible differences were estimated for direct emissions to freshwater. ► Results were overestimated in the default model for indirect emissions. ► Sorption of the cationic fraction of organic bases was the most influential parameter. -- Abstract: In life cycle impact assessment (LCIA) models, the sorption of the ionic fraction of dissociating organic chemicals is not adequately modeled because conventional non-polar partitioning models are applied. Therefore, high uncertainties are expected when modeling the mobility, as well as the bioavailability for uptake by exposed biota and degradation, of dissociating organic chemicals. Alternative regressions that account for the ionized fraction of a molecule to estimate fate parameters were applied to the USEtox model. The most sensitive model parameters in the estimation of ecotoxicological characterization factors (CFs) of micropollutants were evaluated by Monte Carlo analysis in both the default USEtox model and the alternative approach. Negligible differences of CFs values and 95% confidence limits between the two approaches were estimated for direct emissions to the freshwater compartment; however the default USEtox model overestimates CFs and the 95% confidence limits of basic compounds up to three orders and four orders of magnitude, respectively, relatively to the alternative approach for emissions to the agricultural soil compartment. For three emission scenarios, LCIA results show that the default USEtox model overestimates freshwater ecotoxicity impacts for the emission scenarios to agricultural soil by one order of magnitude, and larger confidence limits were estimated, relatively to the alternative approach

chemical as well as biological properties of the oil of Alpinia galanga

African Journals Online (AJOL)

bt

2016-11-30

Nov 30, 2016 ... Physico-chemical properties, antioxidant activities as well as antimicrobial activities of the oils were .... ones (like aldehydes: 7.29%, alcohols: 32.43%, ketones: ... capable of being dissolved in both polar organic and nonpolar ...

Molecular design for nonpolar chiral-axial quadratic nonlinear optics

Science.gov (United States)

Wiggers, Gregory A.

In this thesis the hyperpolarizability of various multi-dimensional molecules is studied theoretically/computationally, with particular focus on the second-rank Kleinman-disallowed (KD) component of the hyperpolarizability. This component, which transforms as a second-rank traceless symmetric tensor, could be utilized in certain chiral-axial molecular alignment schemes to produce a bulk response. Nonpolar chiral-axial systems have been proposed in contrast to polar media, which utilize the vector component of the molecular hyperpolarizability and require parallel alignment of the molecular dipoles. Such parallel alignment of dipoles must be "frozen in" in order to overcome the natural tendency for dipoles to align anti-parallel. This limits the density of chromophores that can be loaded into a polar material. Nonpolar materials do not have such limits in theory. The two geometric classes of molecules that can most easily be incorporated into nonpolar chiral-uniaxial materials are propeller-shaped (C3 or D3 symmetry) and Λ-shaped (C2v symmetry). This work describes efforts to design molecules within these classes that would be suitable for bulk NLO materials. The sum-over-states (SOS) expression is used to model the molecular hyperpolarizability, and quantum chemical calculations, along with linear absorption data (when available) provide the necessary parameters to evaluate truncated forms of the SOS expression. A host of chemical and geometric modifications will be considered in order to elucidate important structure/function relationships. Also, the SOS model will be tested in some cases when experimental measurements (via Kleinman-disallowed hyper-Rayleigh scattering) are available. While a majority of this work focuses on multi-dimensional molecules, a small section deals with the question of optimizing the hyperpolarizability of a one-dimensional system. It is suggested that the recently-proposed idea of "modulated conjugation" as a means for improving

Non-Polar Natural Products from Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile (Bromeliaceae

Directory of Open Access Journals (Sweden)

Ole Johan Juvik

2017-09-01

Full Text Available Extensive regional droughts are already a major problem on all inhabited continents and severe regional droughts are expected to become an increasing and extended problem in the future. Consequently, extended use of available drought resistant food plants should be encouraged. Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile are excellent candidates in that respect because they are established drought resistant edible plants from the semi-arid Caatinga region. From a food safety perspective, increased utilization of these plants would necessitate detailed knowledge about their chemical constituents. However, their chemical compositions have previously not been determined. For the first time, the non-polar constituents of B. laciniosa, N. variegata and E. spectabile have been identified. This is the first thorough report on natural products from N. variegata, E. spectabile, and B. laciniosa. Altogether, 20 non-polar natural products were characterized. The identifications were based on hyphenated gas chromatography-high resolution mass spectrometry (GC-HRMS and supported by 1D and 2D Nuclear Magnetic Resonance (NMR plant metabolomics.

Sorptive capacities of lipids determined by passive dosing of non-polar organic chemicals

DEFF Research Database (Denmark)

Jahnke, Annika; Kierkegaard, Amelie; Bolinius, Damien

VMS), chlorobenzenes and polychlorinated biphenyls via a common headspace over an olive oil donor phase to transfer the same chemical activity into the samples; iii) sampling of EOM and olive oil controls at different time points; iv) purge-and-trap extraction of the model chemicals onto ENV+ SPE cartridges, elution...... and GC/MS analysis; v) characterization of the lipid composition in all samples via NMR. Our experiments demonstrate that the sorptive capacities of the EOM samples do not differ significantly from the olive oil controls if the EOM consists of neutral lipids only. However, the EOM samples show small...

Comparison of the sampling rates and partitioning behaviour of polar and non-polar contaminants in the polar organic chemical integrative sampler and a monophasic mixed polymer sampler for application as an equilibrium passive sampler.

Science.gov (United States)

Jeong, Yoonah; Schäffer, Andreas; Smith, Kilian

2018-06-15

In this work, Oasis HLB® beads were embedded in a silicone matrix to make a single phase passive sampler with a higher affinity for polar and ionisable compounds than silicone alone. The applicability of this mixed polymer sampler (MPS) was investigated for 34 aquatic contaminants (log K OW -0.03 to 6.26) in batch experiments. The influence of flow was investigated by comparing uptake under static and stirred conditions. The sampler characteristics of the MPS was assessed in terms of sampling rates (R S ) and sampler-water partition coefficients (K SW ), and these were compared to those of the polar organic chemical integrative sampler (POCIS) as a reference kinetic passive sampler. The MPS was characterized as an equilibrium sampler for both polar and non-polar compounds, with faster uptake rates and a shorter time to reach equilibrium than the POCIS. Water flow rate impacted sampling rates by up to a factor of 12 when comparing static and stirred conditions. In addition, the relative accumulation of compounds in the polyethersulfone (PES) membranes versus the inner Oasis HLB sorbent was compared for the POCIS, and ranged from <1% to 83% depending on the analyte properties. This is indicative of a potentially significant lag-phase for less polar compounds within POCIS. The findings of this study can be used to quantitatively describe the partitioning and kinetic behaviour of MPS and POCIS for a range of aquatic organic contaminants for application in field sampling. Copyright © 2018 Elsevier B.V. All rights reserved.

Direct Detection of the Ion Pair to Free Ions Transformation upon Complexation with an Ion Receptor in Non-Polar Solvents by using Conductometry.

Science.gov (United States)

Iseda, Kazuya; Kokado, Kenta; Sada, Kazuki

2018-03-01

In this study, we performed conductometry in various organic solvents to directly detect the transformation from tetrabutylammonium chloride ( TBACl ) ion-pair salt to the free ions through complexation with meso -octamethylcalix[4]pyrrole ( CP ), which is a well-known receptor for chloride anions. In the presence of CP , the conductivity of TBACl increases in various non-polar solvents, indicating that complexation with CP enhances the ionic dissociation of TBACl in such non-polar solvents. In other words, CP recognizes chloride as an ion-paired salt as well as a free anion in non-polar solvents. Additionally, the TBA(CP - Cl ) complex exhibited a considerably lower ion-pairing constant ( K ip ) than TBACl in non-polar solvents, resulting in enhanced conductivity. Based on these findings, we can conclude that complexation of an anion with a hydrophobic anion receptor will be useful for creating functional and stimuli-responsive soft materials in organic solvents using coulombic forces.

Efficiency droop in nonpolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, Lukas; Schwarz, Ulrich [Fraunhofer Institut fuer Angewandte Festkoerperphysik (IAF), Freiburg im Breisgau (Germany); Institut fuer Mikrosystemtechnik (IMTEK), Universitaet Freiburg, Freiburg im Breisgau (Germany); Wernicke, Tim; Rass, Jens; Ploch, Simon [Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany); Weyers, Markus [Ferdinand-Braun-Institut (FBH), Berlin (Germany); Kneissl, Michael [Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany); Ferdinand-Braun-Institut (FBH), Berlin (Germany)

2012-07-01

InGaN quantum wells (QWs) exhibit a decline of the internal efficiency at high charge carrier excitation. This has been observed for polar as well as for semipolar and nonpolar oriented QWs. Polar stands for the (0001) growth direction with strong piezoelectric fields. Due to the vanishing fields, the orthogonal growth directions (a or m) are called nonpolar, while all directions between are merged as semipolar orientations. In contrast to the polar and many semipolar QWs, nonpolar InGaN QWs provide a special property: optical polarization of the radiative transitions, which is a result of the anisotropic strain within pseudomorphic grown nonpolar QWs. Using this property, the broadened effective emission can be resolved into two fundamental transitions. They are spectrally separated by a defined energy which corresponds to the energy distance of the valence subbands. We studied nonpolar InGaN/InGaN Multi-QWs grown on low defect density GaN substrates with a setup for confocal microscopy. To reach high excitation densities of charge carriers, we use either a combination of an UV laser and highly focusing objectives or an electric pulse generator. The emission is spectrally analysed and compared to established models.

Large third-order nonlinearity of nonpolar A-plane GaN film at 800 nm determined by Z-scan technology

Science.gov (United States)

Zhang, Feng; Han, Xiangyun

2014-09-01

We report an investigation on the optical third-order nonlinear property of the nonpolar A-plane GaN film. The film sample with a thickness of ~2 μm was grown on an r-plane sapphire substrate by metal-organic chemical vapor deposition system. By performing the Z-scan method combined with a mode-locked femtosecond Ti:sapphire laser (800 nm, 50 fs), the optical nonlinearity of the nonpolar A-plane GaN film was measured with the electric vector E of the laser beam being polarized parallel (//) and perpendicular (⊥) to the c axis of the film. The results show that both the third-order nonlinear absorption coefficient β and the nonlinear refractive index n2 of the sample film possess negative and large values, i.e. β// = -135 ± 29 cm/GW, n2// = -(4.0 ± 0.3) × 10-3 cm2/GW and β⊥ = -234 ± 29 cm/GW, n2⊥ = -(4.9 ± 0.4) × 10-3 cm2/GW, which are much larger than those of conventional C-plane GaN film, GaN bulk, and even the other oxide semiconductors.

The influence of non-polar lipids on tear film dynamics

KAUST Repository

Bruna, M.

2014-04-04

© 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non-polar lipid layer, the thickness of the aqueous layer and the concentration of polar lipids which reside at the interface between the two. We also utilise a force balance in the non-polar lipid layer in order to determine its velocity. We show how to obtain previous models in the literature from our model by making particular choices of the parameters. We see the formation of boundary layers in some of these submodels, across which the concentration of polar lipid and the non-polar lipid velocity and film thickness vary. We solve our model numerically for physically realistic parameter values, and we find that the evolution of the aqueous layer and the polar lipid layer are similar to that described by previous authors. However, there are interesting dynamics for the non-polar lipid layer. The effects of altering the key parameters are highlighted and discussed. In particular, we see that the Marangoni number plays a key role in determining how far over the eye the non-polar lipid spreads.

The importance of chemical components in cleaning agents for the indoor environment

DEFF Research Database (Denmark)

Vejrup, Karl Ventzel

In order to evaluate the importance for the indoor environment of chemical compounds in cleaning agents, the emission of VOCs (Volatile Organic Compounds) from 10 selected cleaning agents and the content of LAS (Linear AlkanbenzeneSulfonate) in dust samples from 7 buildings were investigated.The...... of LAS between smooth floored corridors to carpeted offices, are apparently also of importance for the LAS content in individual rooms.The amounts of LAS found in the dust samples indicated that LAS may be of importance for the indoor environment, but inadequate knowledge about how low concentrations...... investigation of VOC emission from 10 selected cleaning agents showed that it was useful to classify the VOCs into two groups: nonpolar VOCs and polar VOCs.The nonpolar VOCs consisted of several hundred different compounds, mainly terpenes typically used as perfume in cleaning agents. The nonpolar VOC...

Colloidosomes formed by nonpolar/polar/nonpolar nanoball amphiphiles

Energy Technology Data Exchange (ETDEWEB)

Chang, Hung-Yu; Sheng, Yu-Jane, E-mail: yjsheng@ntu.edu.tw, E-mail: hktsao@cc.ncu.edu.tw [Department of Chemical Engineering, National Taiwan University, Taipei 106, Taiwan (China); Tu, Sheng-Hung [Department of Chemical and Materials Engineering, National Central University, Jhongli 320, Taiwan (China); Tsao, Heng-Kwong, E-mail: yjsheng@ntu.edu.tw, E-mail: hktsao@cc.ncu.edu.tw [Department of Chemical and Materials Engineering and Department of Physics, National Central University, Jhongli 320, Taiwan (China)

2014-08-07

Fullerene-based amphiphiles are able to form bilayer vesicles in aqueous solution. In this study, the self-assembly behavior of polymer-tethered nanoballs (NBs) with nonpolar/polar/nonpolar (n-p-n{sup ′}) motif in a selective solvent is investigated by dissipative particle dynamics. A model NB bears two hydrophobic polymeric arms (n{sup ′}-part) tethered on an extremely hydrophobic NB (n-part) with hydrophilic patch (p-part) patterned on its surface. Dependent on the hydrophobicity and length of tethered arms, three types of aggregates are exhibited, including NB vesicle, core-shell micelle, and segmented-worm. NB vesicles are developed for a wide range of hydrophobic arm lengths. The presence of tethered arms perturbs the bilayer structure formed by NBs. The structural properties including the order parameter, membrane thickness, and area density of the inner leaflet decrease with increasing the arm length. These results indicate that for NBs with longer arms, the extent of interdigitation in the membrane rises so that the overcrowded arms in the inner corona are relaxed. The transport and mechanical properties are evaluated as well. As the arm length grows, the permeability increases significantly because the steric bulk of tethered arms loosens the packing of NBs. By contrast, the membrane tension decreases owing to the reduction of NB/solvent contacts by the polymer corona. Although fusion can reduce membrane tension, NB vesicles show strong resistance to fusion. Moreover, the size-dependent behavior observed in small liposomes is not significant for NB vesicles due to isotropic geometry of NB. Our simulation results are consistent with the experimental findings.

Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

Directory of Open Access Journals (Sweden)

Nicolas P. Tambellini

2013-07-01

Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

Photoluminescence spectroscopy and positron annihilation spectroscopy probe of alloying and annealing effects in nonpolar m-plane ZnMgO thin films

Science.gov (United States)

Yang, A. L.; Song, H. P.; Liang, D. C.; Wei, H. Y.; Liu, X. L.; Jin, P.; Qin, X. B.; Yang, S. Y.; Zhu, Q. S.; Wang, Z. G.

2010-04-01

Temperature-dependent photoluminescence characteristics of non-polar m-plane ZnO and ZnMgO alloy films grown by metal organic chemical vapor deposition have been studied. The enhancement in emission intensity caused by localized excitons in m-plane ZnMgO alloy films was directly observed and it can be further improved after annealing in nitrogen. The concentration of Zn vacancies in the films was increased by alloying with Mg, which was detected by positron annihilation spectroscopy. This result is very important to directly explain why undoped Zn1-xMgxO thin films can show p-type conduction by controlling Mg content, as discussed by Li et al. [Appl. Phys. Lett. 91, 232115 (2007)].

Landfill leachate effects on sorption of organic micropollutants onto aquifer materials

DEFF Research Database (Denmark)

Larsen, Thomas; Christensen, Thomas Højlund; Pfeffer, Fred M.

1992-01-01

The effect of dissolved organic carbon as present in landfill leachate, on the sorption of organic micropollutants in aquifer materials was studied by laboratory batch and column experiments involving 15 non-polar organic chemicals, 5 landfill leachates and 4 aquifer materials of low organic carbon......, the effect of landfill leachate on retardation of organic micropollutants in aquifer material seems limited....... content. The experiments showed that hydrophobic organic micropollutants do partition into dissolved organic carbon found in landfill leachate potentially increasing their mobility. However, landfill leachate interacted with aquifer materials apparently increases the sorbent affinity for the hydrophobic...

Photophysical properties of coumarin-120: Unusual behavior in nonpolar solvents

International Nuclear Information System (INIS)

Pal, Haridas; Nad, Sanjukta; Kumbhakar, Manoj

2003-01-01

Photophysical properties of coumarin-120 (C120; 7-amino-4-methyl-1,2-benzopyrone) dye have been investigated in different solvents using steady-state and time-resolved fluorescence and picosecond laser flash photolysis (LFP) and nanosecond pulse radiolysis (PR) techniques. C120 shows unusual photophysical properties in nonpolar solvents compared to those in other solvents of moderate to higher polarities. Where the Stokes shifts (Δν-bar=ν-bar abs -ν-bar fl ), fluorescence quantum yields (Φ f ), and fluorescence lifetimes (τ f ) show more or less linear correlation with the solvent polarity function Δf={(ε-1)/(2ε+1)-(n 2 -1)/(2n 2 +1)}, all these parameters are unusually lower in nonpolar solvents. Unlike in other solvents, both Φ f and τ f in nonpolar solvents are also strongly temperature dependent. It is indicated that the excited singlet (S 1 ) state of C120 undergoes a fast activation-controlled nonradiative deexcitation in nonpolar solvents, which is absent in all other solvents. LFP and PR studies indicate that the intersystem crossing process is negligible for the present dye in all the solvents studied. Photophysical behavior of C120 in nonpolar solvent has been rationalized assuming that in these solvents the dye exists in a nonpolar structure, with its 7-NH 2 group in a pyramidal configuration. In this structure, since the 7-NH 2 group is bonded to the 1,2-benzopyrone moiety by a single bond, the former group can undergo a fast flip-flop motion, which in effect causes the fast nonradiative deexcitation of the dye excited state. In moderate to higher polarity solvents, it is indicated that the dye exists in an intramolecular charge-transfer structure, where the bond between 7-NH 2 group and the 1,2-benzopyrone moiety attains substantial double bond character. In this structure, the flip-flop motion of the 7-NH 2 group is highly restricted and thus there is no fast nonradiative deexcitation process for the excited dye

Environmental monitoring of selected pesticides and organic chemicals in urban stormwater recycling systems using passive sampling techniques.

Science.gov (United States)

Page, Declan; Miotliński, Konrad; Gonzalez, Dennis; Barry, Karen; Dillon, Peter; Gallen, Christie

2014-03-01

Water recycling via aquifers has become a valuable tool to augment urban water supplies in many countries. This study reports the first use of passive samplers for monitoring of organic micropollutants in Managed Aquifer Recharge (MAR). Five different configurations of passive samplers were deployed in a stormwater treatment wetland, groundwater monitoring wells and a recovery tank to capture a range of polar and non-polar micropollutants present in the system. The passive samplers were analysed for a suite of pesticides, polycyclic aromatic hydrocarbons (PAHs) and other chemicals. As a result, 17 pesticides and pesticide degradation products, 5 PAHs and 8 other organic chemicals including flame retardants and fragrances were detected in urban stormwater recharging Aquifer Storage and Recovery (ASR) and an Aquifer Storage Transfer and Recovery (ASTR) system. Of the pesticides detected, diuron, metolachlor and chlorpyrifos were generally detected at the highest concentrations in one or more passive samplers, whereas chlorpyrifos, diuron, metolachlor, simazine, galaxolide and triallate were detected in multiple samplers. Fluorene was the PAH detected at the highest concentration and the flame retardant Tris(1-chloro-2-propyl)phosphate was the chemical detected in the greatest abundance at all sites. The passive samplers showed different efficiencies for capture of micropollutants with the Empore disc samplers giving the most reliable results. The results indicate generally low levels of organic micropollutants in the stormwater, as the contaminants detected were present at very low ng/L levels, generally two to four orders of magnitude below the drinking water guidelines (NHMRC, 2011). The efficiency of attenuation of these organic micropollutants during MAR was difficult to determine due to variations in the source water concentrations. Comparisons were made between different samplers, to give a field-based calibration where existing lab-based calibrations were

Exciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors.

Science.gov (United States)

Bichenkova, Elena V; Sardarian, Ali R; Wilton, Amanda N; Bonnet, Pascal; Bryce, Richard A; Douglas, Kenneth T

2006-01-21

Organic intramolecular exciplexes, N-(4-dimethylaminobenzyl)-N-(1-pyrenemethyl)amine (1) and N'-4-dimethylaminonaphthyl-N-(1-pyrenemethyl)amine (2), were used as model systems to reveal major factors affecting their exciplex fluorescence, and thus lay the basis for developing emissive target-assembled exciplexes for DNA-mounted systems in solution. These models with an aromatic pyrenyl hydrocarbon moiety as an electron acceptor appropriately connected to an aromatic dimethylamino electron donor component (N,N-dimethylaminophenyl or N,N-dimethylaminonaphthyl) showed strong intramolecular exciplex emission in both non-polar and highly polar solvents. The effect of dielectric constant on the maximum wavelength for exciplex emission was studied, and emission was observed for 1 and 2 over the full range of solvent from non-polar hydrocarbons up to N-methylformamide with a dielectric constant of 182. Quantum yields were determined for these intramolecular exciplexes in a range of solvents relative to that for Hoechst 33,258. Conformational analysis of 1 was performed both computationally and via qualitative 2D NMR using (1)H-NOESY experiments. The results obtained indicated the contribution of pre-folded conformation(s) to the ground state of 1 conducive to exciplex emission. This research provides the initial background for design of self-assembled, DNA-mounted exciplexes and underpins further development of exciplex-based hybridisation bioassays.

Design technique for all-dielectric non-polarizing beam splitter plate

Science.gov (United States)

Rizea, A.

2012-03-01

There are many situations when, for the proper working, an opto-electronic device requiring optical components does not change the polarization state of light after a reflection, splitting or filtering. In this paper, a design for a non-polarizing beam splitter plate is proposed. Based on certain optical properties of homogeneous dielectric materials we will establish a reliable thin film package formula, excellent for the start of optimization to obtain a 20-nm bandwidth non-polarizing beam splitter.

Influence of chemicals on clays. Pt. 2. Structure and solidity tests

Energy Technology Data Exchange (ETDEWEB)

Komodromos, A; Goettner, J J

1988-12-01

Continuing an earlier contribution, this article describes tests carried through to verify in how far chemicals in dumped wastes are capable of impairing clay as sealing of the bottom of sanitary landfills. The following was found: Non-polar organic solvents should not be deposited in sanitary landfills with clay as a sealing layer at the bottom, and mineral sealings should be thicker than 60 cms if reactions cannot be excluded with certainty.

NMR-Based Identification of Metabolites in Polar and Non-Polar Extracts of Avian Liver.

Science.gov (United States)

Fathi, Fariba; Brun, Antonio; Rott, Katherine H; Falco Cobra, Paulo; Tonelli, Marco; Eghbalnia, Hamid R; Caviedes-Vidal, Enrique; Karasov, William H; Markley, John L

2017-11-16

Metabolites present in liver provide important clues regarding the physiological state of an organism. The aim of this work was to evaluate a protocol for high-throughput NMR-based analysis of polar and non-polar metabolites from a small quantity of liver tissue. We extracted the tissue with a methanol/chloroform/water mixture and isolated the polar metabolites from the methanol/water layer and the non-polar metabolites from the chloroform layer. Following drying, we re-solubilized the fractions for analysis with a 600 MHz NMR spectrometer equipped with a 1.7 mm cryogenic probe. In order to evaluate the feasibility of this protocol for metabolomics studies, we analyzed the metabolic profile of livers from house sparrow ( Passer domesticus ) nestlings raised on two different diets: livers from 10 nestlings raised on a high protein diet (HP) for 4 d and livers from 12 nestlings raised on the HP diet for 3 d and then switched to a high carbohydrate diet (HC) for 1 d. The protocol enabled the detection of 52 polar and nine non-polar metabolites in ¹H NMR spectra of the extracts. We analyzed the lipophilic metabolites by one-way ANOVA to assess statistically significant concentration differences between the two groups. The results of our studies demonstrate that the protocol described here can be exploited for high-throughput screening of small quantities of liver tissue (approx. 100 mg wet mass) obtainable from small animals.

Preparation of a novel bioavailable curcuminoid formulation (Cureit™) using Polar-Nonpolar-Sandwich (PNS) technology and its characterization and applications

Energy Technology Data Exchange (ETDEWEB)

Amalraj, Augustine; Jude, Shintu; Varma, Karthik; Jacob, Joby [R& D Centre, Aurea Biolabs (P) Ltd, Kolenchery, Cochin, 682 311, Kerala (India); Gopi, Sreeraj, E-mail: sreeraj.gopi@plantlipids.com [R& D Centre, Aurea Biolabs (P) Ltd, Kolenchery, Cochin, 682 311, Kerala (India); Oluwafemi, Oluwatobi S. [Department of Applied Chemistry, University of Johannesburg, Doornfontein Campus, P.O. Box 17011, Doornfontein, 2028 Johannesburg (South Africa); Centre for Nanomaterials Science Research, University of Johannesburg, Johannesburg (South Africa); Thomas, Sabu [School of Chemical Sciences, Mahatma Gandhi University, Kottayam (India)

2017-06-01

Health benefits of curcuminoid are highly limited due to their poor aqueous solubility, very low systemic bioavailability, fast metabolic alterations and rapid elimination. In this study, a novel bioavailable curcuminoid formulation Cureit™ was prepared by using Polar-Nonpolar-Sandwich (PNS) technology with complete natural turmeric matrix (CNTM). The synthesized bioavailable curcuminoid formulation Cureit™ was characterizations by Nuclear magnetic resonance spectroscopy (NMR), scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infra-red (IR), current-voltage (I-V) study, Quadrupole Time-of-Flight Mass Spectrometry (Q-TOF), differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA). NMR study showed the presence of hydrogen bonding interactions with curcuminoids, polar and non-polar compounds in the PNS technology. SEM images indicated that Cureit™ was almost spherical and well dispersed with rough morphology, and separated with three layers of PNS formulation. The chemical profile of Cureit™ was analyzed by Q-TOF confirmed the presence of curcuminoids (curcumin, demethoxycurcumin and bismethoxycurcumin), lactones, sesquiterpenes and their derivatives derived from polar layer, aromatic turmerone, dihydroturmerone, turmeronol, curdione and bisacurone derived from non-polar layer. IR, XRD, DSC and TGA also confirmed the presence of curcuminoids with high stability in the PNS formulation. Various biological activities of Cureit™ were also discussed. - Highlights: • A novel bioavailable curcuminoid formulation Cureit™ was prepared. • Polar-Nonpolar-Sandwich technology is used with complete natural turmeric matrix. • Cureit™ was analyzed and predicted by NMR, SEM, XRD, IR, I-V, Q-TOF, DSC and TGA. • Cureit™ exhibited 10 fold higher bioavailable curcuminoid than pure curcuminoid.

Preparation of a novel bioavailable curcuminoid formulation (Cureit™) using Polar-Nonpolar-Sandwich (PNS) technology and its characterization and applications

International Nuclear Information System (INIS)

Amalraj, Augustine; Jude, Shintu; Varma, Karthik; Jacob, Joby; Gopi, Sreeraj; Oluwafemi, Oluwatobi S.; Thomas, Sabu

2017-01-01

Health benefits of curcuminoid are highly limited due to their poor aqueous solubility, very low systemic bioavailability, fast metabolic alterations and rapid elimination. In this study, a novel bioavailable curcuminoid formulation Cureit™ was prepared by using Polar-Nonpolar-Sandwich (PNS) technology with complete natural turmeric matrix (CNTM). The synthesized bioavailable curcuminoid formulation Cureit™ was characterizations by Nuclear magnetic resonance spectroscopy (NMR), scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infra-red (IR), current-voltage (I-V) study, Quadrupole Time-of-Flight Mass Spectrometry (Q-TOF), differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA). NMR study showed the presence of hydrogen bonding interactions with curcuminoids, polar and non-polar compounds in the PNS technology. SEM images indicated that Cureit™ was almost spherical and well dispersed with rough morphology, and separated with three layers of PNS formulation. The chemical profile of Cureit™ was analyzed by Q-TOF confirmed the presence of curcuminoids (curcumin, demethoxycurcumin and bismethoxycurcumin), lactones, sesquiterpenes and their derivatives derived from polar layer, aromatic turmerone, dihydroturmerone, turmeronol, curdione and bisacurone derived from non-polar layer. IR, XRD, DSC and TGA also confirmed the presence of curcuminoids with high stability in the PNS formulation. Various biological activities of Cureit™ were also discussed. - Highlights: • A novel bioavailable curcuminoid formulation Cureit™ was prepared. • Polar-Nonpolar-Sandwich technology is used with complete natural turmeric matrix. • Cureit™ was analyzed and predicted by NMR, SEM, XRD, IR, I-V, Q-TOF, DSC and TGA. • Cureit™ exhibited 10 fold higher bioavailable curcuminoid than pure curcuminoid.

Non-polar organic compounds in marine aerosols over the northern South China Sea: Influence of continental outflow.

Science.gov (United States)

Zhao, Yan; Zhang, Yingyi; Fu, Pingqing; Ho, Steven Sai Hang; Ho, Kin Fai; Liu, Fobang; Zou, Shichun; Wang, Shan; Lai, Senchao

2016-06-01

Filter samples of total suspended particle (TSP) collected during a cruise campaign over the northern South China Sea (SCS) from September to October 2013 were analyzed for non-polar organic compounds (NPOCs) as well as organic carbon (OC), elemental carbon (EC) and water-soluble ions. A total of 115 NPOCs species in groups of n-alkanes, polycyclic aromatic hydrocarbons (PAHs), iso-/antiso-alkanes, hopanes, steranes, methylalkanes, branched alkanes, cycloalkanes, alkenes and phthalates were detected. The characteristics of NPOCs in marine TSP samples were investigated to understand the sources from the Asian continent and other regions. The concentrations of total NPOCs ranged from 19.8 to 288.2 ng/m(3) with an average of 87.9 ng/m(3), which accounted for 0.8-1.7% (average 1.0%) of organic matter (OM). n-Alkanes was the predominant group, accounting for 43.1-79.5%, followed by PAHs (5.5-44.4%) and hopanes (1.6-11.4%). We found that primary combustion (biomass burning/fossil fuel combustion) was the dominant source for the majority of NPOCs (89.1%). Biomass burning in southern/southeastern China via long-range transport was proposed to be a major contributor of NPOCs in marine aerosols over the northern SCS, suggested by the significant correlations between nss-K(+) and NPOCs groups as well as the analysis of air mass back-trajectory and fire spots. For the samples with strong continental influence, the strong enhancement in concentrations of n-alkanes, PAHs, hopanes and steranes were attributed to fossil fuel (coal/petroleum) combustion. In addition, terrestrial plants waxes were another contributor to NPOCs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Direct Evidence of Mg Incorporation Pathway in Vapor-Liquid-Solid Grown p-type Nonpolar GaN Nanowires

OpenAIRE

Patsha, Avinash; Amirthapandian, S.; Pandian, Ramanathaswamy; Bera, S.; Bhattacharya, Anirban; Dhara, Sandip

2015-01-01

Doping of III-nitride based compound semiconductor nanowires is still a challenging issue to have a control over the dopant distribution in precise locations of the nanowire optoelectronic devices. Knowledge of the dopant incorporation and its pathways in nanowires for such devices is limited by the growth methods. We report the direct evidence of incorporation pathway for Mg dopants in p-type nonpolar GaN nanowires grown via vapour-liquid-solid (VLS) method in a chemical vapour deposition te...

Toxicity of natural mixtures of organic pollutants in temperate and polar marine phytoplankton

KAUST Repository

Echeveste, Pedro

2016-07-26

Semivolatile and persistent organic pollutants (POPs) undergo atmospheric transport before being deposited to the oceans, where they partition to phytoplankton organic matter. The goal of this study was to determine the toxicity of naturally occurring complex mixtures of organic pollutants to temperate and polar phytoplankton communities from the Mediterranean Sea, the North East (NE) Atlantic, and Southern Oceans. The cell abundance of the different phytoplankton groups, chlorophyll a concentrations, viability of the cells, and growth and decay constants were monitored in response to addition of a range of concentrations of mixtures of organic pollutants obtained from seawater extracts. Almost all of the phytoplankton groups were significantly affected by the complex mixtures of non-polar and polar organic pollutants, with toxicity being greater for these mixtures than for single POPs or simple POP mixtures. Cocktails\\' toxicity arose at concentrations as low as tenfold the field oceanic levels, probably due to a higher chemical activity of the mixture than of simple POPs mixtures. Overall, smaller cells were the most affected, although Mediterranean picophytoplankton was significantly more tolerant to non-polar POPs than picophytoplankton from the Atlantic Ocean or the Bellingshausen Sea microphytoplankton. © 2016 Elsevier B.V.

Material and device studies for the development of ultra-violet light emitting diodes (UV-LEDS) along polar, non-polar and semi-polar directions

Science.gov (United States)

Chandrasekaran, Ramya

Over the past few years, significant effort was dedicated to the development of ultraviolet light emitting diodes (UV-LEDs) for a variety of applications. Such applications include chemical and biological detection, water purification and solid-state lighting. III-Nitride LEDs based on multiple quantum wells (MQWs) grown along the conventional [0001] (polar) direction suffer from the quantum confined Stark effect (QCSE), due to the existence of strong electric fields that arise from spontaneous and piezoelectric polarization. Thus, there is strong motivation to develop MQW-based III-nitride LED structures grown along non-polar and semi-polar directions. The goal of this dissertation is to develop UV-LEDs along the [0001] polar and [11 2¯ 0] non-polar directions by the method of Molecular Beam Epitaxy (MBE). The polar and non-polar LEDs were grown on the C-plane and R-plane sapphire substrates respectively. This work is a combination of materials science studies related to the nucleation, growth and n- and p-type doping of III-nitride films on these two substrates, as well as device studies related to fabrication and characterization of UV-LEDs. It was observed that the crystallographic orientation of the III-nitride films grown on R-plane sapphire depends strongly on the kinetic conditions of growth of the Aluminum Nitride (AIN) buffer. Specifically, growth of the AIN buffer under group III-rich conditions leads to nitride films having the (11 2¯ 0) non polar planes parallel to the sapphire surface, while growth of the buffer under nitrogen rich conditions leads to nitride films with the (11 2¯ 6) semi-polar planes parallel to the sapphire surface. The electron concentration and mobility for the films grown along the polar, non-polar and semi-polar directions were investigated. P-type doping of Gallium Nitride (GaN) films grown on the nonpolar (11 2¯ 0) plane do not suffer from polarity inversion and thus the material was doped p-type with a hole concentration

Physico-Chemical Properties of Kaolin-Organic Acid

Directory of Open Access Journals (Sweden)

Yeo S.W.

2017-01-01

Full Text Available Soil with more than 20% of organic content is classified as organic soil in Malaysia. Contents of organic soil consist of different types of organic and inorganic matter. Each type of organic matter has its own characteristic and its effect on the properties of the soil is different. Hence, a good understanding on the effect of specific organic and inorganic matter on the physico-chemical characteristic of organic soils can serve as a guide for predicting the properties of organic soils. The main objective is to unveil the effect of organic acid on the physico-chemical properties of soil. Artificial organic soil (kaolin mixed with organic acid was utilized in order to minimize the geochemical variability of studied soil. The organic acid which consists of humic acid and fulvic acid was extracted from highly humificated plant–based compost. The effect of organic acid on the physico-chemical properties of soil was determined by varying the concentration of organic acid. The specific gravity, Atterberg limits, pH, bulk chemical composition and the functional group of kaolin-organic acid were determined. It was found that the plasticity index, specific gravity and pH value were decreased with lowered concentration of organic acid. However, the liquid limits and plastic limits were found to be increased with the concentration decrement of organic acid. The analysis of XRF on the bulk chemical composition and analysis of FTIR spectra on the functional group of artificial organic soils with different concentration have confirmed little geochemical variability between samples.

Long-Wavelength Phonon Scattering in Nonpolar Semiconductors

DEFF Research Database (Denmark)

Lawætz, Peter

1969-01-01

The long-wavelength acoustic- and optical-phonon scattering of carriers in nonpolar semiconductors is considered from a general point of view. The deformation-potential approximation is defined and it is shown that long-range electrostatic forces give a nontrivial correction to the scattering...... of the very-short-range nature of interactions in a covalent semiconductor....

Polarization-dependent photoluminescence studies of semipolar and nonpolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, Lukas; Schwarz, Ulrich [IAF, Freiburg (Germany); Wernicke, Tim; Weyers, Markus [FBH, Berlin (Germany); Kneissl, Michael [FBH, Berlin (Germany); Institute of Solid State Physics, TU Berlin (Germany)

2010-07-01

Light emitted from optical devices based on semi- and nonpolar GaN quantum well (QW) structures is partially or totally polarized, as a consequence of crystal symmetry and band structure. This can be an additional advantage over polar (0001)GaN in specific applications, e.g. in LED backlighting. Fundamentally, the polarized emission stems from breaking the isotropic symmetry of the hexagonal c-plane, resulting in two discrete semi- and nonpolar directions (parallel and normal to the projection of (0001)). We use the k.p method to simulate the crystal-direction dependent emission. The resulting transition matrix elements assign a specific (partial) polarization for each subband. The thermal occupation of the subbands results in a temperature dependent effective polarization of the light emission. We study MOVPE grown homoepitactical polar, semi- and nonpolar samples, measuring the polarization properties of the resonantly excited photoluminescence from the QW. With the complete polarization of the subbands for nonpolar devices it is possible to measure the energetic difference of the first two valence band levels. In contrast to our calculations we find a higher degree of polarization also in semipolar directions. A possible explanation could be a higher energetic subband difference than computed.

Polarisation of the spontaneous emission from nonpolar and semipolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, Lukas; Schwarz, Ulrich [Department of Microsystems Engineering, University of Freiburg (IMTEK) (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF) (Germany); Ploch, Simon; Wernicke, Tim [Institute of Solid State Physics, Technical University Berlin (Germany); Knauer, Arne; Hoffmann, Veit; Weyers, Markus [Ferdinand-Braun-Institute (FBH) (Germany); Kneissl, Michael [Institute of Solid State Physics, Technical University Berlin (Germany); Ferdinand-Braun-Institute (FBH) (Germany)

2011-07-01

Spontaneously emitted light stemming from semipolar and nonpolar InGaN quantum wells is polarized. This property is a consequence of the broken in-plane symmetry of non c-plane wurtzite quantum wells. We studied the polarized photoluminescence of semipolar and nonpolar InGaN/InGaN multi quantum wells grown on low defect density GaN substrates with a setup for confocal microscopy. For excitation of charge carriers we use a 375 nm diode laser. The photoluminescence is collected with an objective of small NA, to avoid polarisation scrambling, and analyzed with a broadband polarizer and a spectrometer. The experimental results are compared to k.p band structure calculations for semipolar and nonpolar InGaN quantum wells. These simulations provide the polarisation degree of the confined states of the valence band and their energetic splitting. Next, from the thermal occupation the polarized spectra are calculated. The comparison with experimental results allows the determination of the valence subband splitting. Our experiments show a splitting of the two topmost valence subbands in nonpolar direction which is larger than predicted.

M-CARS and EFISHG study of the influence of a static electric field on a non-polar molecule

Science.gov (United States)

Capitaine, E.; Louot, C.; Ould-Moussa, N.; Lefort, C.; Kaneyasu, J. F.; Kano, H.; Pagnoux, D.; Couderc, V.; Leproux, P.

2016-03-01

The influence of a static electric field on a non-polar molecule has been studied by means of multiplex coherent anti-Stokes Raman scattering (M-CARS). A parallel measurement of electric field induced second harmonic generation (EFISHG) has also been led. Both techniques suggest a reorientation of the molecule due to the presence of an electric field. This phenomenon can be used to increase the chemical selectivity and the signal to non-resonant background ratio, namely, the sensitivity of the M-CARS spectroscopy.

Resolving the false-negative issues of the nonpolar organic amendment in whole-sediment toxicity identification evaluations.

Science.gov (United States)

Mehler, W Tyler; Keough, Michael J; Pettigrove, Vincent

2018-04-01

Three common false-negative scenarios have been encountered with amendment addition in whole-sediment toxicity identification evaluations (TIEs): dilution of toxicity by amendment addition (i.e., not toxic enough), not enough amendment present to reduce toxicity (i.e., too toxic), and the amendment itself elicits a toxic response (i.e., secondary amendment effect). One such amendment in which all 3 types of false-negatives have been observed is with the nonpolar organic amendment (activated carbon or powdered coconut charcoal). The objective of the present study was to reduce the likelihood of encountering false-negatives with this amendment and to increase the value of the whole-sediment TIE bioassay. To do this, the present study evaluated the effects of various activated carbon additions to survival, growth, emergence, and mean development rate of Chironomus tepperi. Using this information, an alternative method for this amendment was developed which utilized a combination of multiple amendment addition ratios based on wet weight (1%, lower likelihood of the secondary amendment effect; 5%, higher reduction of contaminant) and nonconventional endpoints (emergence, mean development rate). This alternative method was then validated in the laboratory (using spiked sediments) and with contaminated field sediments. Using these multiple activated carbon ratios in combination with additional endpoints (namely, emergence) reduced the likelihood of all 3 types of false-negatives and provided a more sensitive evaluation of risk. Environ Toxicol Chem 2018;37:1219-1230. © 2017 SETAC. © 2017 SETAC.

Relation between the characteristic molecular volume and hydrophobicity of nonpolar molecules

Energy Technology Data Exchange (ETDEWEB)

Sedov, Igor A., E-mail: igor_sedov@inbox.ru; Solomonov, Boris N., E-mail: boris.solomonov@ksu.r

2010-09-15

Experimental values of the Gibbs free energies of hydration for a set of nonpolar or very slightly polar compounds are analyzed in order to investigate how does the hydrophobic effect depend on molecular structure and shape. The contribution due to the hydrophobic effect is evaluated using a method we suggested previously. A number of values of the Gibbs free energies of solvation in dimethyl sulfoxide and in hexadecane, which are required for calculation, were determined by gas chromatographic headspace analysis. It is found that the Gibbs hydrophobic effect energy is linearly dependent on characteristic molecular volume for a large variety of solutes with branched and unbranched carbon chains, different functional groups and atomic composition. Molecular structure and shape do not significantly affect the hydrophobicity of chemical species, and molecular volume is a main factor determining it.

On the interplay of point defects and Cd in non-polar ZnCdO films

International Nuclear Information System (INIS)

Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

2013-01-01

Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10 17 cm −3 and 10 18 cm −3 , respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd Zn in the ZnO crystal.

On the interplay of point defects and Cd in non-polar ZnCdO films

Energy Technology Data Exchange (ETDEWEB)

Zubiaga, A.; Reurings, F.; Tuomisto, F. [Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Espoo (Finland); Plazaola, F. [Elektrizitatea eta Elektronika/Fisika Aplikatua II Sailak, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Garcia, J. A. [Fisika Aplikatua II Saila, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Kuznetsov, A. Yu. [Department of Physics, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Egger, W. [Inst. fuer Angewandte Physik und Messtechnik, Univ. der Bundeswehr Muenchen, 87755 Neubiberg (Germany); Zuniga-Perez, J. [CRHEA CNRS, F-06560 Valbonne (France); Munoz-Sanjose, V. [Dept. de Fisica Aplicada i Electromagnetisme, c/ Doctor Moliner 50, E-46100 Burjassot (Valencia) (Spain)

2013-01-14

Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10{sup 17} cm{sup -3} and 10{sup 18} cm{sup -3}, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 {mu}m inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd{sub Zn} in the ZnO crystal.

On the interplay of point defects and Cd in non-polar ZnCdO films

Science.gov (United States)

Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

2013-01-01

Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 1017 cm-3 and 1018 cm-3, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional CdZn in the ZnO crystal.

Design of reproducible polarized and non-polarized edge filters using genetic algorithm

International Nuclear Information System (INIS)

Ejigu, Efrem Kebede; Lacquet, B M

2010-01-01

Recent advancement in optical fibre communications technology is partly due to the advancement of optical thin film technology. The advancement of optical thin film technology includes the development of new and existing optical filter design methods. The genetic algorithm is one of the new design methods that show promising results in designing a number of complicated design specifications. It is the finding of this study that the genetic algorithm design method, through its optimization capability, can give more reliable and reproducible designs of any specifications. The design method in this study optimizes the thickness of each layer to get to the best possible solution. Its capability and unavoidable limitations in designing polarized and non-polarized edge filters from absorptive and dispersive materials is well demonstrated. It is also demonstrated that polarized and non-polarized designs from the genetic algorithm are reproducible with great success. This research has accomplished the great task of formulating a computer program using the genetic algorithm in a Matlab environment for the design of a reproducible polarized and non-polarized filters of any sort from any kind of materials

Electrophoretic Retardation of Colloidal Particles in Nonpolar Liquids

Directory of Open Access Journals (Sweden)

Filip Strubbe

2013-04-01

Full Text Available We have measured the electrophoretic mobility of single, optically trapped colloidal particles, while gradually depleting the co-ions and counterions in the liquid around the particle by applying a dc voltage. This is achieved in a nonpolar liquid, where charged reverse micelles act as co-ions and counterions. By increasing the dc voltage, the mobility first increases when the concentrations of co-ions and counterions near the particle start to decrease. At sufficiently high dc voltage (around 2 V, the mobility reaches a saturation value when the co-ions and counterions are fully separated. The increase in mobility is larger when the equilibrium ionic strength is higher. The dependence of the experimental data on the equilibrium ionic strength and on the applied voltage is in good agreement with the standard theory of electrophoretic retardation, assuming that the bare particle charge remains constant. This method is useful for studying the electrophoretic retardation effect and charging mechanisms for nonpolar colloids, and it sheds light on previously unexplained particle acceleration in electronic ink devices.

Design and analysis of all-dielectric broadband nonpolarizing parallel-plate beam splitters.

Science.gov (United States)

Wang, Wenliang; Xiong, Shengming; Zhang, Yundong

2007-06-01

Past research on the all-dielectric nonpolarizing beam splitter is reviewed. With the aid of the needle thin-film synthesis method and the conjugate graduate refine method, three different split ratio nonpolarizing parallel-plate beam splitters over a 200 nm spectral range centered at 550 nm with incidence angles of 45 degrees are designed. The chosen materials component and the initial stack are based on the Costich and Thelen theories. The results of design and analysis show that the designs maintain a very low polarization ratio in the working range of the spectrum and has a reasonable angular field.

Charging and Screening in Nonpolar Solutions of Nonionizable Surfactants

Science.gov (United States)

Behrens, Sven

2010-03-01

Nonpolar liquids do not easily accommodate electric charges, but surfactant additives are often found to dramatically increase the solution conductivity and promote surface charging of suspended colloid particles. Such surfactant-mediated electrostatic effects have been associated with equilibrium charge fluctuations among reverse surfactant micelles and in some cases with the statistically rare ionization of individual surfactant molecules. Here we present experimental evidence that even surfactants without any ionizable group can mediate charging and charge screening in nonpolar oils, and that they can do so at surfactant concentrations well below the critical micelle concentration (cmc). Precision conductometry, light scattering, and Karl-Fischer titration of sorbitan oleate solutions in hexane, paired with electrophoretic mobility measurements on suspended polymer particles, reveal a distinctly electrostatic action of the surfactant. We interpret our observations in terms of a charge fluctuation model and argue that the observed charging processes are likely facilitated, but not limited, by the presence of ionizable impurities.

Metal-organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents.

Science.gov (United States)

Bobbitt, N Scott; Mendonca, Matthew L; Howarth, Ashlee J; Islamoglu, Timur; Hupp, Joseph T; Farha, Omar K; Snurr, Randall Q

2017-06-06

Owing to the vast diversity of linkers, nodes, and topologies, metal-organic frameworks can be tailored for specific tasks, such as chemical separations or catalysis. Accordingly, these materials have attracted significant interest for capture and/or detoxification of toxic industrial chemicals and chemical warfare agents. In this paper, we review recent experimental and computational work pertaining to the capture of several industrially-relevant toxic chemicals, including NH 3 , SO 2 , NO 2 , H 2 S, and some volatile organic compounds, with particular emphasis on the challenging issue of designing materials that selectively adsorb these chemicals in the presence of water. We also examine recent research on the capture and catalytic degradation of chemical warfare agents such as sarin and sulfur mustard using metal-organic frameworks.

Indium gallium nitride/gallium nitride quantum wells grown on polar and nonpolar gallium nitride substrates

Science.gov (United States)

Lai, Kun-Yu

Nonpolar (m-plane or a-plane) gallium nitride (GaN) is predicted to be a potential substrate material to improve luminous efficiencies of nitride-based quantum wells (QWs). Numerical calculations indicated that the spontaneous emission rate in a single In0.15Ga0.85N/GaN QW could be improved by ˜2.2 times if the polarization-induced internal field was avoided by epitaxial deposition on nonpolar substrates. A challenge for nonpolar GaN is the limited size (less than 10x10 mm2) of substrates, which was addressed by expansion during the regrowth by Hydride Vapor Phase Epitaxy (HVPE). Subsurface damage in GaN substrates were reduced by annealing with NH3 and N2 at 950°C for 60 minutes. It was additionally found that the variation of m-plane QWs' emission properties was significantly increased when the substrate miscut toward a-axis was increased from 0° to 0.1°. InGaN/GaN QWs were grown by Metalorganic Chemical Vapor Deposition (MOCVD) on c-plane and m-plane GaN substrates. The QWs were studied by cathodoluminescence spectroscopy with different incident electron beam probe currents (0.1 nA ˜ 1000 nA). Lower emission intensities and longer peak wavelengths from c-plane QWs were attributed to the Quantum-confined Stark Effect (QCSE). The emission intensity ratios of m-plane QWs to c-plane QWs decreased from 3.04 at 1 nA to 1.53 at 1000 nA. This was identified as the stronger screening effects of QCSE at higher current densities in c-plane QWs. To further investigate these effects in a fabricated structure, biased photoluminescence measurements were performed on m-plane InGaN/GaN QWs. The purpose was to detect the possible internal fields induced by the dot-like structure in the InGaN layer through the response of these internal fields under externally applied fields. No energy shifts of the QWs were observed, which was attributed to strong surface leakage currents.

Broadband non-polarizing terahertz beam splitters with variable split ratio

KAUST Repository

Wei, Minggui

2017-08-15

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Broadband non-polarizing terahertz beam splitters with variable split ratio

Science.gov (United States)

Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

2017-08-01

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Broadband non-polarizing terahertz beam splitters with variable split ratio

KAUST Repository

Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

2017-01-01

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Nonpolar a-plane GaN grown on r-plane sapphire using multilayer AlN buffer by metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Chiang, C.H.; Chen, K.M.; Wu, Y.H.; Yeh, Y.S.; Lee, W.I.; Chen, J.F.; Lin, K.L.; Hsiao, Y.L.; Huang, W.C.; Chang, E.Y.

2011-01-01

Mirror-like and pit-free non-polar a-plane (1 1 -2 0) GaN films are grown on r-plane (1 -1 0 2) sapphire substrates using metalorganic chemical vapor deposition (MOCVD) with multilayer high-low-high temperature AlN buffer layers. The buffer layer structure and film quality are essential to the growth of a flat, crack-free and pit-free a-plane GaN film. The multilayer AlN buffer structure includes a thin low-temperature-deposited AlN (LT-AlN) layer inserted into the high-temperature-deposited AlN (HT-AlN) layer. The results demonstrate that the multilayer AlN buffer structure can improve the surface morphology of the upper a-plane GaN film. The grown multilayer AlN buffer structure reduced the tensile stress on the AlN buffer layers and increased the compressive stress on the a-plane GaN film. The multilayer AlN buffer structure markedly improves the surface morphology of the a-plane GaN film, as revealed by scanning electron microscopy. The effects of various growth V/III ratios was investigated to obtain a-plane GaN films with better surface morphology. The mean roughness of the surface was 1.02 nm, as revealed by atomic force microscopy. Accordingly, the multilayer AlN buffer structure improves the surface morphology and facilitates the complete coalescence of the a-plane GaN layer.

Charge transport in non-polar and semi-polar III-V nitride heterostructures

International Nuclear Information System (INIS)

Konar, Aniruddha; Verma, Amit; Fang, Tian; Zhao, Pei; Jana, Raj; Jena, Debdeep

2012-01-01

Compared to the intense research focus on the optical properties, the transport properties in non-polar and semi-polar III-nitride semiconductors remain relatively unexplored to date. The purpose of this paper is to discuss charge-transport properties in non-polar and semi-polar orientations of GaN in a comparative fashion to what is known for transport in polar orientations. A comprehensive approach is adopted, starting from an investigation of the differences in the electronic bandstructure along different polar orientations of GaN. The polarization fields along various orientations are then discussed, followed by the low-field electron and hole mobilities. A number of scattering mechanisms that are specific to non-polar and semi-polar GaN heterostructures are identified, and their effects are evaluated. Many of these scattering mechanisms originate due to the coupling of polarization with disorder and defects in various incarnations depending on the crystal orientation. The effect of polarization orientation on carrier injection into quantum-well light-emitting diodes is discussed. This paper ends with a discussion of orientation-dependent high-field charge-transport properties including velocity saturation, instabilities and tunneling transport. Possible open problems and opportunities are also discussed. (paper)

Multi-wavelength metal-dielectric nonpolarizing beam splitters in the near-infrared range

Science.gov (United States)

Hui Shi, Jin; Ping Wang, Zheng; Ying Guan, Chun; Yang, Jun; Shu Fu, Tian

2011-04-01

A 21-layer multi-wavelength metal-dielectric nonpolarizing cube beam splitter was designed by use of an optimization method and theoretically investigated in the near-infrared range. The angular dependence of the reflectance and differential phases induced by reflection and transmission were presented. The simulation results revealed that the non-polarizing effect could be achieved for both the amplitude and phase characteristics at 1310 and 1550 nm. The differences between the simulated and the target reflectance of 50% are less than 2% and differential phases are less than 5°in the range 1300-1320 nm and 1540-1550 nm for both p- and s-components.

Elimination kinetic model for organic chemicals in earthworms.

NARCIS (Netherlands)

Dimitrova, N.; Dimitrov, S.; Georgieva, D.; van Gestel, C.A.M.; Hankard, P.; Spurgeon, D.J.; Li, H.; Mekenyan, O.

2010-01-01

Mechanistic understanding of bioaccumulation in different organisms and environments should take into account the influence of organism and chemical depending factors on the uptake and elimination kinetics of chemicals. Lipophilicity, metabolism, sorption (bioavailability) and biodegradation of

Sorption of organic chemicals at biogeochemical interfaces - calorimetric measurements

Science.gov (United States)

Krüger, J.; Lang, F.; Siemens, J.; Kaupenjohann, M.

2009-04-01

Biogeochemical interfaces in soil act as sorbents for organic chemicals, thereby controlling the degradation and mobility of these substances in terrestrial environments. Physicochemical properties of the organic chemicals and the sorbent determine sorptive interactions. We hypothesize that the sorption of hydrophobic organic chemicals ("R-determined" chemicals) is an entropy-driven partitioning process between the bulk aqueous phase and biogeochemical interface and that the attachment of more polar organic chemicals ("F-determined" chemicals) to mineral surfaces is due to electrostatic interactions and ligand exchange involving functional groups. In order to determine thermodynamic parameters of sorbate/sorbent interactions calorimetric titration experiments have been conducted at 20˚ C using a Nanocalorimeter (TAM III, Thermometric). Solutions of different organic substances ("R-determined" chemicals: phenanthrene, bisphenol A, "F-determined" chemicals: MCPA, bentazone) with concentrations of 100 mol l-1 were added to suspensions of pure minerals (goethite, muscovite, and kaolinite and to polygalacturonic acid (PGA) as model substance for biofilms in soil. Specific surface, porosity, N and C content, particle size and point of zero charge of the mineral were analyzed to characterize the sorbents. The obtained heat quantities for the initial injection of the organic chemicals to the goethite were 55 and 71 J for bisphenol A and phenanthrene ("R-determined representatives") and 92 and 105 J for MCPA and bentazone ("F-determined" representatives). Further experiments with muscovite, kaolinite and PGA are in progress to determine G and H of the adsorption process.

Nonpolarizing beam splitter designed by frustrated total internal reflection inside a glass cube.

Science.gov (United States)

Xu, Xueke; Shao, Jianda; Fan, Zhengxiu

2006-06-20

A method for the design of an all-dielectric nonpolarizing prism beam splitter utilizing the principle of frustrated total internal reflection is reported. The nonpolarizing condition for a prism beam splitter is discussed, and some single layer design examples are elaborated. The concept can be applied to a wide range of wavelengths and arbitrary transmittance values, and with the help of a computer design program examples of 400-700 nm, T(p)=T(s)=0.5+/-0.01, with incident angles of 45 degrees and 62 degrees are given. In addition, the sensitivity and application of the design are also discussed.

Design and analysis of metal-dielectric nonpolarizing beam splitters in a glass cube.

Science.gov (United States)

Shi, Jin Hui; Guan, Chun Ying; Wang, Zheng Ping

2009-06-20

A novel design of a 25-layer metal-dielectric nonpolarizing beam splitter in a cube is proposed by use of the optimization method and is theoretically investigated. The simulations of the reflectance and differential phases induced by reflection and transmission are presented. The simulation results reveal that both the amplitude and the phase characteristics of the nonpolarizing beam splitter could realize the design targets, the differences between the simulated and the target reflectance of 50% are less than 2%, and the differential phases are less than 3 degrees in the range of 530 nm-570 nm for both p and s components.

Structural anisotropy of nonpolar and semipolar InN epitaxial layers

Science.gov (United States)

Darakchieva, V.; Xie, M.-Y.; Franco, N.; Giuliani, F.; Nunes, B.; Alves, E.; Hsiao, C. L.; Chen, L. C.; Yamaguchi, T.; Takagi, Y.; Kawashima, K.; Nanishi, Y.

2010-10-01

We present a detailed study of the structural characteristics of molecular beam epitaxy grown nonpolar InN films with a- and m-plane surface orientations on r-plane sapphire and (100) γ-LiAlO2, respectively, and semipolar (101¯1) InN grown on r-plane sapphire. The on-axis rocking curve (RC) widths were found to exhibit anisotropic dependence on the azimuth angle with minima at InN [0001] for the a-plane films, and maxima at InN [0001] for the m-plane and semipolar films. The different contributions to the RC broadening are analyzed and discussed. The finite size of the crystallites and extended defects are suggested to be the dominant factors determining the RC anisotropy in a-plane InN, while surface roughness and curvature could not play a major role. Furthermore, strategy to reduce the anisotropy and magnitude of the tilt and minimize defect densities in a-plane InN films is suggested. In contrast to the nonpolar films, the semipolar InN was found to contain two domains nucleating on zinc-blende InN(111)A and InN(111)B faces. These two wurtzite domains develop with different growth rates, which was suggested to be a consequence of their different polarity. Both, a- and m-plane InN films have basal stacking fault densities similar or even lower compared to nonpolar InN grown on free-standing GaN substrates, indicating good prospects of heteroepitaxy on foreign substrates for the growth of InN-based devices.

Structural anisotropy of nonpolar and semipolar InN epitaxial layers

International Nuclear Information System (INIS)

Darakchieva, V.; Xie, M.-Y.; Franco, N.; Alves, E.; Giuliani, F.; Nunes, B.; Hsiao, C. L.; Chen, L. C.; Yamaguchi, T.; Takagi, Y.; Kawashima, K.; Nanishi, Y.

2010-01-01

We present a detailed study of the structural characteristics of molecular beam epitaxy grown nonpolar InN films with a- and m-plane surface orientations on r-plane sapphire and (100) γ-LiAlO 2 , respectively, and semipolar (1011) InN grown on r-plane sapphire. The on-axis rocking curve (RC) widths were found to exhibit anisotropic dependence on the azimuth angle with minima at InN [0001] for the a-plane films, and maxima at InN [0001] for the m-plane and semipolar films. The different contributions to the RC broadening are analyzed and discussed. The finite size of the crystallites and extended defects are suggested to be the dominant factors determining the RC anisotropy in a-plane InN, while surface roughness and curvature could not play a major role. Furthermore, strategy to reduce the anisotropy and magnitude of the tilt and minimize defect densities in a-plane InN films is suggested. In contrast to the nonpolar films, the semipolar InN was found to contain two domains nucleating on zinc-blende InN(111)A and InN(111)B faces. These two wurtzite domains develop with different growth rates, which was suggested to be a consequence of their different polarity. Both, a- and m-plane InN films have basal stacking fault densities similar or even lower compared to nonpolar InN grown on free-standing GaN substrates, indicating good prospects of heteroepitaxy on foreign substrates for the growth of InN-based devices.

The influence of non-polar lipids on tear film dynamics

KAUST Repository

Bruna, M.; Breward, C.  J.  W.

2014-01-01

© 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non

Optical Interference Coatings Design Contest 2007: triple bandpass filter and nonpolarizing beam splitter.

Science.gov (United States)

Tilsch, Markus; Hendrix, Karen

2008-05-01

A triple bandpass filter (28 solutions received) and a nonpolarizing beam splitter (23 solutions received) were the subjects of the design contest held in conjunction with the 2007 Optical Interference Coatings topical meeting of the Optical Society of America. Fifteen designers participated using a wide spectrum of design approaches and optimization strategies to create the submissions. The results differ significantly, but all meet the contest requirements. Fabien Lemarchand wins both contests by submitting the thinnest (6254 nm) triple bandpass design and the widest (61.7 nm) nonpolarizing beam-splitter design. Michael Trubetskov is in second place, followed by Vladimir Pervak in both contests. The submitted designs are described and evaluated.

Band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterostructures measured by X-ray photoemission spectroscopy.

Science.gov (United States)

Sang, Ling; Zhu, Qin Sheng; Yang, Shao Yan; Liu, Gui Peng; Li, Hui Jie; Wei, Hong Yuan; Jiao, Chun Mei; Liu, Shu Man; Wang, Zhan Guo; Zhou, Xiao Wei; Mao, Wei; Hao, Yue; Shen, Bo

2014-01-01

The band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are measured by X-ray photoemission spectroscopy. A large forward-backward asymmetry is observed in the non-polar GaN/AlN and AlN/GaN heterojunctions. The valence-band offsets in the non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are determined to be 1.33 ± 0.16 and 0.73 ± 0.16 eV, respectively. The large valence-band offset difference of 0.6 eV between the non-polar GaN/AlN and AlN/GaN heterojunctions is considered to be due to piezoelectric strain effect in the non-polar heterojunction overlayers.

Designs of infrared nonpolarizing beam splitters with a Ag layer in a glass cube.

Science.gov (United States)

Shi, Jin Hui; Wang, Zheng Ping

2008-05-10

A novel design of a nonpolarizing beam splitter with a Ag layer in a cube was proposed and optimized, based on the needle optimization. The digital simulations of the reflectance and reflection-induced retardance were presented. The simulation results showed that both the amplitude and the phase characteristics of the nonpolarizing beam splitter could realize the design targets. The difference between the simulated and the target reflectance of 50% is less than 0.4% and the simulated and the reflection-induced retardance is less than 0.62 degrees in the 1260 -1360 nm range for both p and s components.

The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem

Energy Technology Data Exchange (ETDEWEB)

Humphreys, C.J., E-mail: colin.humphreys@msm.cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Griffiths, J.T., E-mail: jg641@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Tang, F., E-mail: ft274@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Oehler, F., E-mail: fabrice.oehler@lpn.cnrs.fr [CNRS/C2N, Paris Sud University, Route de Nozay, 91460 Marcoussis (France); Findlay, S.D., E-mail: scott.findlay@monash.edu [School of Physics and Astronomy, Monash University, Victoria 3800 (Australia); Zheng, C., E-mail: changlin.zheng@monash.edu [Monash Centre for Electron Microscopy, Monash University, Victoria 3800 (Australia); Etheridge, J., E-mail: joanne.etheridge@mcem.monash.edu [Department of Materials Science and Engineering, Monash University, Victoria 3800 (Australia); Martin, T.L., E-mail: tomas.martin@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Bagot, P.A.J., E-mail: paul.bagot@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Moody, M.P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Sutherland, D., E-mail: danny.sutherland@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Dawson, P., E-mail: philip.dawson@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S., E-mail: stefan.schulz@tyndall.ie [Tyndall National Institute, Lee Maltings Complex, Dyke Parade, Cork (Ireland); and others

2017-05-15

Highlights: • We have studied the atomic structure of polar and non-polar InGaN quantum wells. • The non-polar (11-20) InGaN quantum wells contain indium-rich clusters, unlike the polar (0001) quantum wells. • The electrons and holes in the quantum wells are localised by different mechanisms. - Abstract: We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20 meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60 meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

Study of excess carrier dynamics in polar, semi-polar, and non-polar (In,Ga)N epilayers and QWs

Energy Technology Data Exchange (ETDEWEB)

Aleksiejunas, R. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Lubys, L.; Jarasiunas, K. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Vengris, M. [Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Wernicke, T.; Hoffmann, V.; Netzel, C.; Knauer, A.; Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Kneissl, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Institute of Solid State Physics, Technische Universitaet Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)

2011-07-15

We studied carrier recombination and diffusion in GaN/sapphire templates, (In,Ga)N layers, and (In,Ga)N quantum well structures oriented along the polar [0001], semi-polar [11-22], and non-polar [11-20] orientations by means of light induced transient grating, differential transmission, and photoluminescence optical techniques. We show that the lifetime of excess carriers drops by orders of magnitude when changing the orientation from polar to non-polar, both in GaN templates and (In,Ga)N layers. We attribute the shorter lifetime to carrier trapping by extended structural defects that are more abundant in non-polar grown samples. In addition, we observe pronounced carrier localization effects in the semi- and non-polar layers. We show that thick (In,Ga)N layers inherit the properties of the GaN templates. However, the thin quantum well structures show a lower carrier trapping activity. So, a better electrical quality can be assumed as compared to the thick (In,Ga)N layers. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Predicting degradability of organic chemicals

Energy Technology Data Exchange (ETDEWEB)

Finizio, A; Vighi, M [Milan Univ. (Italy). Ist. di Entomologia Agraria

1992-05-01

Degradability, particularly biodegradability, is one of the most important factors governing the persistence of pollutants in the environment and consequently influencing their behavior and toxicity in aquatic and terrestrial ecosystems. The need for reliable persistence data in order to assess the environmental fate and hazard of chemicals by means of predictive approaches, is evident. Biodegradability tests are requested by the EEC directive on new chemicals. Neverthless, degradation tests are not easy to carry out and data on existing chemicals are very scarce. Therefore, assessing the fate of chemicals in the environment from the simple study of their structure would be a useful tool. Rates of degradation are a function of the rates of a series of processes. Correlation between degradation rates and structural parameters are will be facilitated if one of the processes is rate determining. This review is a survey of studies dealing with relationships between structure and biodegradation of organic chemicals, to identify the value and limitations of this approach.

Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

International Nuclear Information System (INIS)

Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

2008-01-01

A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles

NARCIS (Netherlands)

Wang, Fang; Haftka, Joris J H; Sinnige, Theo L.; Hermens, Joop L M; Chen, Wei

2014-01-01

We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and

A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon.

Science.gov (United States)

Kipka, Undine; Di Toro, Dominic M

2011-09-01

Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (K(DOC)) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating K(DOC) to the octanol-water partition coefficient (K(OW)) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse K(DOC) data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log K(DOC) with a root mean square error of 0.43. Copyright © 2011 SETAC.

PM2.5 source apportionment with organic markers in the Southeastern Aerosol Research and Characterization (SEARCH) study.

Science.gov (United States)

Watson, John G; Chow, Judith C; Lowenthal, Douglas H; Antony Chen, L-W; Shaw, Stephanie; Edgerton, Eric S; Blanchard, Charles L

2015-09-01

Positive matrix factorization (PMF) and effective variance (EV) solutions to the chemical mass balance (CMB) were applied to PM(2.5) (particulate matter with an aerodynamic diameter thermal carbon fraction concentrations were supplemented with detailed nonpolar organic speciation by thermal desorption-gas chromatography/mass spectrometry (TD-GC/MS). Source contribution estimates were calculated for motor vehicle exhaust, biomass burning, cooking, coal-fired power plants, road dust, vegetative detritus, and secondary sulfates and nitrates for Atlanta. Similar sources were found for Birmingham, with the addition of an industrial source and the separation of biomass burning into open burning and residential wood combustion. EV-CMB results based on conventional species were qualitatively similar to those estimated by PMF-CMB. Secondary ammonium sulfate was the largest contributor, accounting for 27-38% of PM(2.5), followed by biomass burning (21-24%) and motor vehicle exhaust (9-24%) at both sites, with 4-6% of PM(2.5) attributed to coal-fired power plants by EV-CMB. Including organic compounds in the EV-CMB reduced the motor vehicle exhaust and biomass burning contributions at both sites, with a 13-23% deficit for PM(2.5) mass. The PMF-CMB solution showed mixing of sources within the derived factors, both with and without the addition of speciated organics, as is often the case with complex source mixtures such as those at these urban-scale sites. The nonpolar TD-GC/MS compounds can be obtained from existing filter samples and are a useful complement to the elements, ions, and carbon fractions. However, they should be supplemented with other methods, such as TD-GC/MS on derivitized samples, to obtain a wider range of polar compounds such as sterols, sugars, and organic acids. The PMF and EV solutions to the CMB equations are complementary to, rather than replacements for, each other, as comparisons of their results reveal uncertainties that are not otherwise evident

Modeling the role of microplastics in Bioaccumulation of organic chemicals to marine aquatic organisms. Critical Review

NARCIS (Netherlands)

Koelmans, A.A.

2015-01-01

It has been shown that ingestion of microplastics may increase bioaccumulation of organic chemicals by aquatic organisms. This paper critically reviews the literature on the effects of plastic ingestion on the bioaccumulation of organic chemicals, emphasizing quantitative approaches and mechanistic

Broadband non-polarizing beam splitter based on guided mode resonance effect

Science.gov (United States)

Ma, Jian-Yong; Xu, Cheng; Qiang, Ying-Huai; Zhu, Ya-Bo

2011-10-01

A broadband non-polarizing beam splitter (NPBS) operating in the telecommunication C+L band is designed by using the guided mode resonance effect of periodic silicon-on-insulator (SOI) elements. It is shown that this double layer SOI structure can provide ~50/50 beam ratio with the maximum divergences between reflection and transmission being less than 8% over the spectrum of 1.4 μm~1.7 μm and 1% in the telecommunication band for both TE and TM polarizations. The physical basis of this broadband non-polarizing property is on the simultaneous excitation of the TE and TM strong modulation waveguide modes near the designed spectrum band. Meanwhile, the electric field distributions for both TE and TM polarizations verify the resonant origin of spectrum in the periodic SOI structure. Furthermore, it is demonstrated with our calculations that the beam splitter proposed here is tolerant to the deviations of incident angle and structure parameters, which make it very easy to be fabricated with current IC technology.

Protein Thermostability Is Owing to Their Preferences to Non-Polar Smaller Volume Amino Acids, Variations in Residual Physico-Chemical Properties and More Salt-Bridges.

Science.gov (United States)

Panja, Anindya Sundar; Bandopadhyay, Bidyut; Maiti, Smarajit

2015-01-01

Protein thermostability is an important field for its evolutionary perspective of mesophilic versus thermophilic relationship and for its industrial/ therapeutic applications. Presently, a total 400 (200 thermophilic and 200 mesophilic homologue) proteins were studied utilizing several software/databases to evaluate their amino acid preferences. Randomly selected 50 homologous proteins with available PDB-structure of each group were explored for the understanding of the protein charges, isoelectric-points, hydrophilicity, hydrophobicity, tyrosine phosphorylation and salt-bridge occurrences. These 100 proteins were further probed to generate Ramachandran plot/data for the gross secondary structure prediction in and comparison between the thermophilic and mesophilic proteins. Present results strongly suggest that nonpolar smaller volume amino acids Ala (χ2 = 238.54, psalt bridges in this study. The average percentage of salt-bridge of thermophiles is found to be higher by 20% than their mesophilic homologue. The GLU-HIS and GLU-LYS salt-bridge dyads are calculated to be significantly higher (psalt-bridges and smaller volume nonpolar residues (Gly, Ala and Val) and lesser occurrence of bulky polar residues in the thermophilic proteins. A more stoichiometric relationship amongst these factors minimized the hindrance due to side chain burial and increased compactness and secondary structural stability in thermophilic proteins.

Chemical Sensors Based on IR Spectroscopy and Surface-Modified Waveguides

Science.gov (United States)

Lopez, Gabriel P.; Niemczyk, Thomas

1999-01-01

Sol-gel processing techniques have been used to apply thin porous films to the surfaces of planar infrared (IR) waveguides to produce widely useful chemical sensors. The thin- film coating serves to diminish the concentration of water and increase the concentration of the analyte in the region probed by the evanescent IR wave. These porous films are composed of silica, and therefore, conventional silica surface modification techniques can be used to give the surface a specific functional character. The sol-gel film was surface-modified to make the film highly hydrophobic. These sensors were shown to be capable of detecting non-polar organic analytes, such as benzonitrile, in aqueous solution with detection limits in the ppb range. Further, these porous sol-gel structures allow the analytes to diffuse into and out of the films rapidly, thus reaching equilibrium in less than ten seconds. These sensors are unique because of the fact that their operation is based on the measurement of an IR absorption spectrum. Thus, these sensors are able to identify the analytes as well as measure concentration with high sensitivity. These developments have been documented in previous reports and publications. Recently, we have also targeted detection of the polar organic molecules acetone and isopropanol in aqueous solution. Polar organics are widely used in industrial and chemical processes, hence it is of interest to monitor their presence in effluents or decontamination process flows. Although large improvements in detection limits were expected with non-polar organic molecules in aqueous solutions using very hydrophobic porous sol-gel films on silicon attenuated total reflectance (Si ATR) waveguides, it was not as clear what the detection enhancements might be for polar organic molecules. This report describes the use of modified sol-gel-coated Si ATR sensors for trace detection and quantitation of small polar organic molecules in aqueous solutions. The detection of both acetone

Enhanced chemical sensing organic thin-film transistors

Science.gov (United States)

Tanese, M. C.; Torsi, L.; Farinola, G. M.; Valli, L.; Hassan Omar, O.; Giancane, G.; Ieva, E.; Babudri, F.; Palmisano, F.; Naso, F.; Zambonin, P. G.

2007-09-01

Organic thin film transistor (OTFT) sensors are capable of fast, sensitive and reliable detection of a variety of analytes. They have been successfully tested towards many chemical and biological "odor" molecules showing high selectivity, and displaying the additional advantage of being compatible with plastic technologies. Their versatility is based on the possibility to control the device properties, from molecular design up to device architecture. Here phenylene-thiophene based organic semiconductors functionalized with ad hoc chosen side groups are used as active layers in sensing OTFTs. These materials, indeed, combine the detection capability of organic molecules (particularly in the case of bio-substituted systems) with the electronic properties of the conjugated backbone. A new OTFT structure including Langmuir-Schäfer layer by layer organic thin films is here proposed to perform chemical detection of organic vapors, including vapor phase chiral molecules such as citronellol vapors, with a detection limit in the ppm range. Thermally evaporated α6T based OTFT sensors are used as well to be employed as standard system in order to compare sensors performances.

Removal of trace organic chemical contaminants by a membrane bioreactor.

Science.gov (United States)

Trinh, T; van den Akker, B; Stuetz, R M; Coleman, H M; Le-Clech, P; Khan, S J

2012-01-01

Emerging wastewater treatment processes such as membrane bioreactors (MBRs) have attracted a significant amount of interest internationally due to their ability to produce high quality effluent suitable for water recycling. It is therefore important that their efficiency in removing hazardous trace organic contaminants be assessed. Accordingly, this study investigated the removal of trace organic chemical contaminants through a full-scale, package MBR in New South Wales, Australia. This study was unique in the context of MBR research because it characterised the removal of 48 trace organic chemical contaminants, which included steroidal hormones, xenoestrogens, pesticides, caffeine, pharmaceuticals and personal care products (PPCPs). Results showed that the removal of most trace organic chemical contaminants through the MBR was high (above 90%). However, amitriptyline, carbamazepine, diazepam, diclofenac, fluoxetine, gemfibrozil, omeprazole, sulphamethoxazole and trimethoprim were only partially removed through the MBR with the removal efficiencies of 24-68%. These are potential indicators for assessing MBR performance as these chemicals are usually sensitive to changes in the treatment systems. The trace organic chemical contaminants detected in the MBR permeate were 1 to 6 orders of magnitude lower than guideline values reported in the Australian Guidelines for Water Recycling. The outcomes of this study enhanced our understanding of the levels and removal of trace organic contaminants by MBRs.

Growth and galvanic replacement of silver nanocubes in organic media

OpenAIRE

Polavarapu, Lakshminarayana; Liz-Marzan, Luis M.

2013-01-01

Although metal nanoparticles with various shapes can be prepared in polar organic solvents, little has been advanced toward the shape-controlled synthesis in non-polar solvents. We report a simple method for the synthesis of nearly monodisperse single crystalline silver nanocubes in a non-polar solvent (1,2-dichlorobenzene) by using oleylamine as both a reducing and capping agent. Mechanistic studies based on the time evolution of Ag nanoparticles revealed that multiply twinned nanocrystals f...

Physical and chemical properties of pyrethroids.

Science.gov (United States)

Laskowski, Dennis A

2002-01-01

The physical and chemical properties of the pyrethroids bifenthrin, cyfluthrin, cypermethrin (also zetacypermethrin), deltamethrin, esfenvalerate (also fenvalerate), fenpropathrin, lambda-cyhalothrin (also cyhalothrin), permethrin, and tralomethrin have been reviewed and summarized in this paper. Physical properties included molecular weight, octanol-water partition coefficient, vapor pressure, water solubility, Henry's law constant, fish biocencentration factor, and soil sorption, desorption, and Freundlich coefficients. Chemical properties included rates of degradation in water as a result of hydrolysis, photodecomposition, aerobic or anaerobic degradation by microorganisms in the absence of light, and also rates of degradation in soil incubated under aerobic or anaerobic conditions. Collectively, the pyrethroids display a highly nonpolar nature of low water solubility, low volatility, high octanol-water partition coefficients, and have high affinity for soil and sediment particulate matter. Pyrethroids have low mobility in soil and are sorbed strongly to the sediments of natural water systems. Although attracted to living organisms because of their nonpolar nature, their capability to bioconcentrate is mitigated by their metabolism and subsequent elimination by the organisms. In fish, bioconcentration factors (BCF) ranged from 360 and 6000. Pyrethroids in water solution tend to be stable at acid and neutral pH but [table: see text] become increasingly susceptible to hydrolysis at pH values beyond neutral. Exceptions at higher pH are bifenthrin (stable), esfenvalerate (stable), and permethrin (half-life, 240 d). Pyrethroids vary in susceptibility to sunlight. Cyfluthrin and tralomethrin in water had half-lives of 0.67 and 2.5 d; lambda-cyhalothrin, esfenvalerate, deltamethrin, permethrin, and cypermethrin were intermediate with a range of 17-110 d; and bifenthrin and fenpropathrin showed the least susceptibility with half-lives of 400 and 600 d, respectively

LOSS OF ORGANIC CHEMICALS IN SOIL: PURE COMPOUND TREATABILITY STUDIES

Science.gov (United States)

Comprehensive screening data on the treatability of 32 organic chemicals in soil were developed. Of the evaluated chemicals, 22 were phenolic compounds. Aerobic batch laboratory microcosm experiments were conducted using two soils: an acidic clay soil with <1% organic matter and ...

Conversion of proteins from a non-polarized to an apical secretory pattern in MDCK cells

International Nuclear Information System (INIS)

Vogel, Lotte K.; Larsen, Jakob E.; Hansen, Martin; Truffer, Renato

2005-01-01

Previously it was shown that fusion proteins containing the amino terminus of an apical targeted member of the serpin family fused to the corresponding carboxyl terminus of the non-polarized secreted serpin, antithrombin, are secreted mainly to the apical side of MDCK cells. The present study shows that this is neither due to the transfer of an apical sorting signal from the apically expressed proteins, since a sequence of random amino acids acts the same, nor is it due to the deletion of a conserved signal for correct targeting from the non-polarized secreted protein. Our results suggest that the polarity of secretion is determined by conformational sensitive sorting signals

The nature of carrier localisation in polar and nonpolar InGaN/GaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Dawson, P., E-mail: philip.dawson@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S. [Photonics Theory Group, Tyndall National Institute, Dyke Parade, Cork (Ireland); Oliver, R. A.; Kappers, M. J.; Humphreys, C. J. [Department of Material Science and Metallurgy, 27 Charles Babbage Road, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

2016-05-14

In this paper, we compare and contrast the experimental data and the theoretical predictions of the low temperature optical properties of polar and nonpolar InGaN/GaN quantum well structures. In both types of structure, the optical properties at low temperatures are governed by the effects of carrier localisation. In polar structures, the effect of the in-built electric field leads to electrons being mainly localised at well width fluctuations, whereas holes are localised at regions within the quantum wells, where the random In distribution leads to local minima in potential energy. This leads to a system of independently localised electrons and holes. In nonpolar quantum wells, the nature of the hole localisation is essentially the same as the polar case but the electrons are now coulombically bound to the holes forming localised excitons. These localisation mechanisms are compatible with the large photoluminescence linewidths of the polar and nonpolar quantum wells as well as the different time scales and form of the radiative recombination decay curves.

Wetting behavior of nonpolar nanotubes in simple dipolar liquids for varying nanotube diameter and solute-solvent interactions

Energy Technology Data Exchange (ETDEWEB)

Rana, Malay Kumar; Chandra, Amalendu, E-mail: amalen@iitk.ac.in [Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208016 (India)

2015-01-21

Atomistic simulations of model nonpolar nanotubes in a Stockmayer liquid are carried out for varying nanotube diameter and nanotube-solvent interactions to investigate solvophobic interactions in generic dipolar solvents. We have considered model armchair type single-walled nonpolar nanotubes with increasing radii from (5,5) to (12,12). The interactions between solute and solvent molecules are modeled by the well-known Lennard-Jones and repulsive Weeks-Chandler-Andersen potentials. We have investigated the density profiles and microscopic arrangement of Stockmayer molecules, orientational profiles of their dipole vectors, time dependence of their occupation, and also the translational and rotational motion of solvent molecules in confined environments of the cylindrical nanopores and also in their external peripheral regions. The present results of structural and dynamical properties of Stockmayer molecules inside and near atomistically rough nonpolar surfaces including their wetting and dewetting behavior for varying interactions provide a more generic picture of solvophobic effects experienced by simple dipolar liquids without any specific interactions such as hydrogen bonds.

Chemical reactions in reverse micelle systems

Science.gov (United States)

Matson, Dean W.; Fulton, John L.; Smith, Richard D.; Consani, Keith A.

1993-08-24

This invention is directed to conducting chemical reactions in reverse micelle or microemulsion systems comprising a substantially discontinuous phase including a polar fluid, typically an aqueous fluid, and a microemulsion promoter, typically a surfactant, for facilitating the formation of reverse micelles in the system. The system further includes a substantially continuous phase including a non-polar or low-polarity fluid material which is a gas under standard temperature and pressure and has a critical density, and which is generally a water-insoluble fluid in a near critical or supercritical state. Thus, the microemulsion system is maintained at a pressure and temperature such that the density of the non-polar or low-polarity fluid exceeds the critical density thereof. The method of carrying out chemical reactions generally comprises forming a first reverse micelle system including an aqueous fluid including reverse micelles in a water-insoluble fluid in the supercritical state. Then, a first reactant is introduced into the first reverse micelle system, and a chemical reaction is carried out with the first reactant to form a reaction product. In general, the first reactant can be incorporated into, and the product formed in, the reverse micelles. A second reactant can also be incorporated in the first reverse micelle system which is capable of reacting with the first reactant to form a product.

Origins of protein denatured state compactness and hydrophobic clustering in aqueous urea: inferences from nonpolar potentials of mean force.

Science.gov (United States)

Shimizu, Seishi; Chan, Hue Sun

2002-12-01

Free energies of pairwise hydrophobic association are simulated in aqueous solutions of urea at concentrations ranging from 0-8 M. Consistent with the expectation that hydrophobic interactions are weakened by urea, the association of relatively large nonpolar solutes is destabilized by urea. However, the association of two small methane-sized nonpolar solutes in water has the opposite tendency of being slightly strengthened by the addition of urea. Such size effects and the dependence of urea-induced stability changes on the configuration of nonpolar solutes are not predicted by solvent accessible surface area approaches based on energetic parameters derived from bulk-phase solubilities of model compounds. Thus, to understand hydrophobic interactions in proteins, it is not sufficient to rely solely on transfer experiment data that effectively characterize a single nonpolar solute in an aqueous environment but not the solvent-mediated interactions among two or more nonpolar solutes. We find that the m-values for the rate of change of two-methane association free energy with respect to urea concentration is a dramatically nonmonotonic function of the spatial separation between the two methanes, with a distance-dependent profile similar to the corresponding two-methane heat capacity of association in pure water. Our results rationalize the persistence of residual hydrophobic contacts in some proteins at high urea concentrations and explain why the heat capacity signature (DeltaC(P)) of a compact denatured state can be similar to DeltaC(P) values calculated by assuming an open random-coil-like unfolded state. Copyright 2002 Wiley-Liss, Inc.

Broadband non-polarizing beam splitter based on guided mode resonance effect

International Nuclear Information System (INIS)

Ma Jian-Yong; Xu Cheng; Qiang Ying-Huai; Zhu Ya-Bo

2011-01-01

A broadband non-polarizing beam splitter (NPBS) operating in the telecommunication C+L band is designed by using the guided mode resonance effect of periodic silicon-on-insulator (SOI) elements. It is shown that this double layer SOI structure can provide ∼50/50 beam ratio with the maximum divergences between reflection and transmission being less than 8% over the spectrum of 1.4 μm∼1.7 μm and 1% in the telecommunication band for both TE and TM polarizations. The physical basis of this broadband non-polarizing property is on the simultaneous excitation of the TE and TM strong modulation waveguide modes near the designed spectrum band. Meanwhile, the electric field distributions for both TE and TM polarizations verify the resonant origin of spectrum in the periodic SOI structure. Furthermore, it is demonstrated with our calculations that the beam splitter proposed here is tolerant to the deviations of incident angle and structure parameters, which make it very easy to be fabricated with current IC technology. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Encoding of Fundamental Chemical Entities of Organic Reactivity Interest using chemical ontology and XML.

Science.gov (United States)

Durairaj, Vijayasarathi; Punnaivanam, Sankar

2015-09-01

Fundamental chemical entities are identified in the context of organic reactivity and classified as appropriate concept classes namely ElectronEntity, AtomEntity, AtomGroupEntity, FunctionalGroupEntity and MolecularEntity. The entity classes and their subclasses are organized into a chemical ontology named "ChemEnt" for the purpose of assertion, restriction and modification of properties through entity relations. Individual instances of entity classes are defined and encoded as a library of chemical entities in XML. The instances of entity classes are distinguished with a unique notation and identification values in order to map them with the ontology definitions. A model GUI named Entity Table is created to view graphical representations of all the entity instances. The detection of chemical entities in chemical structures is achieved through suitable algorithms. The possibility of asserting properties to the entities at different levels and the mechanism of property flow within the hierarchical entity levels is outlined. Copyright © 2015 Elsevier Inc. All rights reserved.

Physical and chemical characteristics of melon in organic farming

Directory of Open Access Journals (Sweden)

Rosete A. G. Kohn

2015-07-01

Full Text Available Melon farming is characterized as an important family agriculture activity and the organic production of fruits and vegetables has shown a large growth in terms of areas in Brazil and around the world. This work aimed to study the postharvest quality of melon cultivated in an organic system. The organic treatments constituted of base fertilizer with cattle manure vermicompost (recommended dose, ½ dose and double dose plus the use of biofertilizer (sprayed or sprayed + irrigated, and an additional treatment with chemical fertilization. The postharvest quality was evaluated through physico-chemical and phytochemical attributes. The organic management with half the recommended dose of vermicompost plus the sprayed biofertilizer and the chemical fertilization management produced fruits with higher levels of sugar, total carotenoids, ascorbic acid and folates, obtaining more balanced fruits, with a better phytochemical quality. The antioxidant capacity was defined mainly by the presence of the phenolic compounds, which were influenced by the type and the dose of the evaluated fertilizers, with superiority in the organic treatments with double the dose of cattle manure vermicompost.

Methods for calculation of engineering parameters for gas separation. [vapor pressure and solubility of gases in organic liquids

Science.gov (United States)

Lawson, D. D.

1979-01-01

A group additivity method is generated which allows estimation, from the structural formulas alone, of the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. Using these two parameters and appropriate thermodynamic relations, the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids are predicted. It is also possible to use the data to evaluate organic and some inorganic liquids for use in gas separation stages or liquids as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

Role of the electronegativity for the interface properties of non-polar heterostructures

KAUST Repository

Nazir, Safdar; Singh, Nirpendra; Kahaly, M. Upadhyay; Schwingenschlö gl, Udo

2012-01-01

Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2

Microwaves in organic chemistry and organic chemical

Directory of Open Access Journals (Sweden)

Mijin Dušan Ž.

2005-01-01

Full Text Available The usual way of applying heat to a chemical reaction is the use of a Bunsen burner, an oil or some other type of bath, or an electric heater. In inorganic chemistry, microwave technology has been used since the late 1970s while it has been implemented in organic chemistry since the mid-1980s. Microwave heating has been used in the food industry for almost fifty years. The shorter reaction times and expanded reaction range that is offered by microwave technology are suited to the increased demands in industry. For example, there is a requirement in the pharmaceutical industry for a higher number of a novel chemical entities to be produced, which requires chemists to employ a number of resources to reduce time for the production of compounds. Also, microwaves are used in the food industry, as well as in the pyrolysis of waste materials, sample preparation, the solvent extraction of natural products and the hydrolysis of proteins and peptides.

Carotenoids Database: structures, chemical fingerprints and distribution among organisms.

Science.gov (United States)

Yabuzaki, Junko

2017-01-01

To promote understanding of how organisms are related via carotenoids, either evolutionarily or symbiotically, or in food chains through natural histories, we built the Carotenoids Database. This provides chemical information on 1117 natural carotenoids with 683 source organisms. For extracting organisms closely related through the biosynthesis of carotenoids, we offer a new similarity search system 'Search similar carotenoids' using our original chemical fingerprint 'Carotenoid DB Chemical Fingerprints'. These Carotenoid DB Chemical Fingerprints describe the chemical substructure and the modification details based upon International Union of Pure and Applied Chemistry (IUPAC) semi-systematic names of the carotenoids. The fingerprints also allow (i) easier prediction of six biological functions of carotenoids: provitamin A, membrane stabilizers, odorous substances, allelochemicals, antiproliferative activity and reverse MDR activity against cancer cells, (ii) easier classification of carotenoid structures, (iii) partial and exact structure searching and (iv) easier extraction of structural isomers and stereoisomers. We believe this to be the first attempt to establish fingerprints using the IUPAC semi-systematic names. For extracting close profiled organisms, we provide a new tool 'Search similar profiled organisms'. Our current statistics show some insights into natural history: carotenoids seem to have been spread largely by bacteria, as they produce C30, C40, C45 and C50 carotenoids, with the widest range of end groups, and they share a small portion of C40 carotenoids with eukaryotes. Archaea share an even smaller portion with eukaryotes. Eukaryotes then have evolved a considerable variety of C40 carotenoids. Considering carotenoids, eukaryotes seem more closely related to bacteria than to archaea aside from 16S rRNA lineage analysis. : http://carotenoiddb.jp. © The Author(s) 2017. Published by Oxford University Press.

Luminescence of highly excited nonpolar a-plane GaN and AlGaN/GaN multiple quantum wells

International Nuclear Information System (INIS)

Jursenas, S.; Kuokstis, E.; Miasojedovas, S.; Kurilcik, G.; Zukauskas, A.; Chen, C.Q.; Yang, J.W.; Adivarahan, V.; Asif Khan, M.

2004-01-01

Carrier recombination dynamics in polar and nonpolar GaN epilayers and GaN/AlGaN multiple quantum wells grown over sapphire substrates with a various crystallographic orientation were studied under high photoexcitation by 20 ps laser pulses. The transient luminescence featured a significant enhancement on nonradiative recombination of free carriers for nonpolar a-plane GaN epilayers compared to conventional c-plane samples. The epitaxial layer overgrowth technique was demonstrated to significantly improve the quality of nonpolar a-plane films. This was proved by more than 40-fold increase in luminescence decay time (430 ps compared to ≤ 10 ps in the ordinary a-plane epilayer). Under high-excitation regime, a complete screening of built-in electric field by free carriers in multiple quantum wells grown on c-plane and r-plane sapphire substrates was achieved. Under such high excitation, luminescence efficiency and carrier lifetime of multiple quantum wells were shown to be determined by the substrate quality. (author)

Dispersing surface-modified imogolite nanotubes in polar and non-polar solvents

Science.gov (United States)

Li, Ming; Brant, Jonathan A.

2018-02-01

Furthering the development of nanocomposite structures, namely membranes for water treatment applications, requires that methods be developed to ensure nanoparticle dispersion in polar and non-polar solvents, as both are widely used in associated synthesis techniques. Here, we report on a two-step method to graft polyvinylpyrrolidone (PVP), and a one-step method for octadecylphosphonic acid (OPA), onto the outer surfaces of imogolite nanotubes. The goal of these approaches was to improve and maintain nanotube dispersion in polymer compatible polar and non-polar solvents. The PVP coating modified the imogolite surface charge from positive to weakly negative at pH ≤ 9; the OPA made it weakly positive at acidic pH values to negative at pH ≥ 7. The PVP surface coating stabilized the nanotubes through steric hindrance in polar protic, dipolar aprotic, and chloroform. In difference to the PVP, the OPA surface coating allowed the nanotubes to be dispersed in n-hexane and chloroform, but not in the polar solvents. The lack of miscibility in the polar solvents, as well as the better dispersion in n-hexane, was attributed to the stronger hydrophobicity of the OPA polymer relative to the PVP. [Figure not available: see fulltext.

Organic chemistry on Titan: Surface interactions

Science.gov (United States)

Thompson, W. Reid; Sagan, Carl

1992-01-01

The interaction of Titan's organic sediments with the surface (solubility in nonpolar fluids) is discussed. How Titan's sediments can be exposed to an aqueous medium for short, but perhaps significant, periods of time is also discussed. Interactions with hydrocarbons and with volcanic magmas are considered. The alteration of Titan's organic sediments over geologic time by the impacts of meteorites and comets is discussed.

Co-Exposure with Fullerene May Strengthen Health Effects of Organic Industrial Chemicals

DEFF Research Database (Denmark)

Lehto, M.; Karilainen, T.; Rog, T.

2014-01-01

In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C-60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene...... which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C-60 and organic chemicals represent different...... co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C-60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C-60 that is more...

Evidence for organic complexed copper in sea water

Energy Technology Data Exchange (ETDEWEB)

Slowey, J F; Jeffrey, L M; Hood, D W

1967-04-22

A few attempts have been made to characterize the chemical components contributing to the copper content of seawater. About 0.3 mu/liter of particulate copper in 2 stations in the English Channel and 15 mu/liter of ultrafilterable (10 mu) but non-dialyzable copper in a sample from Texas Bay has been reported. Also the evidence has been shown for copper in the organic form in waters of the Florida Current. The occasional presence of non- dialyzable copper for many samples from the Gulf of Mexico suggests that strongly complexed copper-organic compounds are present in seawater. This communication presents evidence for such complexes that are extractable into a nonpolar solvent in the absence of any added chelating agent. Preliminary results have shown that the copper- organic complex isolated by chloroform extraction occurs in the eighth fraction of the Hirsch and Ahrens lipid separation method using silica gel chromatography. This would indicate that copper complex is associated with the phospholipid, amino lipid, or porphyrin fraction of the lipids.

Homoepitaxial nonpolar (10-10) ZnO/ZnMgO monolithic microcavities: Towards reduced photonic disorder

International Nuclear Information System (INIS)

Zuniga-Perez, J.; Kappei, L.; Deparis, C.; Chenot, S.; Leroux, M.; Reveret, F.; Jamadi, O.; Leymarie, J.; Grundmann, M.; Prado, E. de

2016-01-01

Nonpolar ZnO/ZnMgO-based optical microcavities have been grown on (10-10) m-plane ZnO substrates by plasma-assisted molecular beam epitaxy. Reflectivity measurements indicate an exponential increase of the cavity quality factor with the number of layers in the distributed Bragg reflectors. Most importantly, microreflectivity spectra recorded with a spot size in the order of 2 μm show a negligible photonic disorder (well below 1 meV), leading to local quality factors equivalent to those obtained by macroreflectivity. The anisotropic character of the nonpolar heterostructures manifests itself both in the surface features, elongated parallel to the in-plane c direction, and in the optical spectra, with two cavity modes being observed at different energies for orthogonal polarizations.

Homoepitaxial nonpolar (10-10) ZnO/ZnMgO monolithic microcavities: Towards reduced photonic disorder

Energy Technology Data Exchange (ETDEWEB)

Zuniga-Perez, J., E-mail: jzp@crhea.cnrs.fr; Kappei, L.; Deparis, C.; Chenot, S.; Leroux, M. [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Reveret, F.; Jamadi, O.; Leymarie, J. [Clermont Université, Institut Pascal (IP), BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6602, IP, F-63171 Aubière (France); Grundmann, M. [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Institut für Experimentelle Physik II, Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnestr. 5, 04103 Leipzig (Germany); Prado, E. de [CRHEA-CNRS, Rue Bernard Gregory, 06560 Valbonne (France); Departamento de Física Aplicada y Electromagnetismo, Universitat de Valencia, c/Dr Moliner 50, Burjassot, Valencia 46100 (Spain)

2016-06-20

Nonpolar ZnO/ZnMgO-based optical microcavities have been grown on (10-10) m-plane ZnO substrates by plasma-assisted molecular beam epitaxy. Reflectivity measurements indicate an exponential increase of the cavity quality factor with the number of layers in the distributed Bragg reflectors. Most importantly, microreflectivity spectra recorded with a spot size in the order of 2 μm show a negligible photonic disorder (well below 1 meV), leading to local quality factors equivalent to those obtained by macroreflectivity. The anisotropic character of the nonpolar heterostructures manifests itself both in the surface features, elongated parallel to the in-plane c direction, and in the optical spectra, with two cavity modes being observed at different energies for orthogonal polarizations.

Co-exposure with fullerene may strengthen health effects of organic industrial chemicals.

Directory of Open Access Journals (Sweden)

Maili Lehto

Full Text Available In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C60 and organic chemicals represent different co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C60 that is more cytotoxic than benzaldehyde alone, and for a filtered mixture of m-cresol and C60 that is slightly less cytotoxic than m-cresol. Hydrophobicity of chemicals correlates with co-effects when secretion of pro-inflammatory cytokines IL-1β and TNF-α is considered. Complementary atomistic molecular dynamics simulations reveal that C60 co-aggregates with all chemicals in aqueous environment. Stable aggregates have a fullerene-rich core and a chemical-rich surface layer, and while essentially all C60 molecules aggregate together, a portion of organic molecules remains in water.

Quality and Chemical Composition of Organic and Non-Organic Vetiver Oil

Directory of Open Access Journals (Sweden)

Asep Kadarohman

2014-03-01

Full Text Available Vetiver oil (Vetiveria zizanoides has been used as perfume materials, cosmetics, fragrance soaps, anti-inflammation, repellent, and insecticidal agents. Organic vetiver oil has higher economical value than non-organic vetiver oil and it has been regarded to be able to compete in the global market. Therefore, studies have been carried out using 1 hectare of land and the first generation of organic vetiver oil has produced 0.57% of yield, greater than non-organic (0.50%. The quality of organic and non-organic vetiver oil was analyzed by Indonesian Standard (SNI parameter, pesticide residue test, chemical composition by GC/MS, and the appearance of vetiver root. In general, the result of organic and non-organic vetiver oil has fulfilled the national standard; the quality of organic vetiver oil was better than non-organic one. Physically, the appearance of organic vetiver root was better than non-organic vetiver root; organic vetiver root was denser, more appealing, and did not have any black spots. The pesticide residue of organic vetiver oil was lower than non-organic vetiver oil. Based on SNI test, vetiverol (oxygen compounds in organic vetiver oil was higher than non-organic vetiver oil.

Occupational chemical exposures in artificial organic fiber industries

Energy Technology Data Exchange (ETDEWEB)

Guirguis, S S; Cohen, M B

1984-05-01

This review discusses artificial organic fibers that are produced from materials of natural origin such as rayons, cellulose triacetates and proteins; or made from polymerised chemicals such as polyamides, polyesters, polyvinyls, modacrylics, carbon fibers, polyolefins, polyurethane and polytetrafluoroethylene. Chemicals involved include monomers, solvents, flame retardants, pigments and other additives. Occupational exposure to chemicals in the production stages are discussed and also the potential health hazards involved are reviewed. Current exposure levels, engineering controls and work practices for some of the chemicals used in the Ontario artificial fiber industry are discussed. Recommendations are made for areas that need further study and/or investigation.

Metal organic frameworks for the catalytic detoxification of chemical warfare nerve agents

Science.gov (United States)

Hupp, Joseph T.; Farha, Omar K.; Katz, Michael J.; Mondloch, Joseph E.

2017-04-18

A method of using a metal organic framework (MOF) comprising a metal ion and an at least bidendate organic ligand to catalytically detoxify chemical warfare nerve agents including exposing the metal-organic-framework (MOF) to the chemical warfare nerve agent and catalytically decomposing the nerve agent with the MOF.

Anisotropic chemical etching of semipolar {101-bar 1-bar}/{101-bar +1} ZnO crystallographic planes: polarity versus dangling bonds

International Nuclear Information System (INIS)

Palacios-Lidon, E; Perez-GarcIa, B; Colchero, J; Vennegues, P; Zuniga-Perez, J; Munoz-Sanjose, V

2009-01-01

ZnO thin films grown by metal-organic vapor phase epitaxy along the nonpolar [112-bar] direction and exhibiting semipolar {101-bar 1-bar}/{101-bar +1} facets have been chemically etched with HCl. In order to get an insight into the influence of the ZnO wurtzite structure in the chemical reactivity of the material, Kelvin probe microscopy and convergent beam electron diffraction have been employed to unambiguously determine the absolute polarity of the facets, showing that {101-bar +1} facets are unstable upon etching in an HCl solution and transform into (000+1)/{101-bar 1-bar} planes. In contrast, {101-bar 1-bar} undergo homogeneous chemical etching perpendicular to the initial crystallographic plane. The observed etching behavior has been explained in terms of surface oxygen dangling bond density, suggesting that the macroscopic polarity plays a secondary role in the etching process.

Chemical aspects of radiation damage processes: radiolysis

International Nuclear Information System (INIS)

Asmus, K.D.

1975-01-01

The formation of primary species and radiation chemical yields are discussed. In a section on chemical scavenging of primary species the author considers scavenging kinetics and competition reactions and gives a brief outline of some experimental methods. The radiation chemistry of aqueous solutions is discussed as an example for polar solvents. Cyclohexane is used as an example for non-polar solvents. The importance of excited states and energy transfer is considered. Reactions in the solid state are discussed and results on linear energy transfer and average ion pair formation for various kinds of radiation are surveyed. (B.R.H.)

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

International Nuclear Information System (INIS)

Davies, M. J.; Dawson, P.; Hammersley, S.; Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A.

2016-01-01

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10 11  cm −2  pulse −1 per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

Temperature programmed retention indices : calculation from isothermal data Part 2: Results with nonpolar columns

NARCIS (Netherlands)

Curvers, J.M.P.M.; Rijks, J.A.; Cramers, C.A.M.G.; Knauss, K.; Larson, P.

1985-01-01

The procedure for calculating linear temperature programmed indices as described in part 1 has been evaluated using five different nonpolar columns, with OV-1 as the stationary phase. For fourty-three different solutes covering five different classes of components, including n-alkanes and

Chemical composition and acetylcholinesterase inhibitory activity of Artemisia maderaspatana essential oil.

Science.gov (United States)

Jyotshna; Srivastava, Nidhi; Singh, Bhuwanendra; Chanda, Debabrata; Shanker, Karuna

2015-01-01

To date, there are no reports to validate the Indian traditional and folklore claims of Artemisia maderaspatana L. (syn. Grangea maderaspatana L.) (Asteraceae) for the treatment of Alzheimer's disease. The present study characterizes the volatile components (non-polar compounds) of A. maderaspatana and evaluates its acetylcholinesterase inhibition potential. The essential oils (yield 0.06% v/w) were obtained from fresh aerial part of A. maderaspatana. The characterization of volatile components (non-polar compounds) was performed by GC-MS data and with those of reference compounds compiled in the spectral library of in-house database. The in vitro acetylcholinesterase (AChE) inhibition of the volatile organic constituents (VOC's) of A. maderaspatana aerial part was evaluated in varying concentration ranges (0.70-44.75 µg/mL) with Ellman's method. The major components were α-humulene (46.3%), β-caryophyllene (9.3%), α-copaene (8.2%), β-myrcene (4.3%), Z(E)-α-farnesene (3.7%), and calarene (3.5%). Chemical variability among other Artemisia spp. from different climatic regions of India and countries namely Iran and France was observed. The experimental results showed that diverse volatile organic constituents of A. maderaspatana have significant acetylcholinesterase inhibitory activity (an IC50 value of 31.33 ± 1.03 µg/mL). This is the first report on the inhibition of acetylcholinesterase properties of essential oil of A. maderaspatana obtained from fresh aerial part. The present results indicate that essential oil of A. maderaspatana isolated from the northern region of India could inhibit AChE moderately. Therefore, the possibility of novel AChE inhibitors might exist in VOCs of this plant.

Dielectric constant of polarizable, nonpolar fluids and suspensions

International Nuclear Information System (INIS)

Cichocki, B.; Felderhof, B.U.

1988-01-01

We study the dielectric constant of a polarizable, nonpolar fluid or suspension of spherical particles by use of a renormalized cluster expansion.The particles may have induced multipole moments of any order. We show that the Clausius-Mossotti formula results from a virtual overlap contribution. The corrections to the Clausius-Mossotti formula are expressed with the aid of a cluster expansion. The integrands of the cluster integrals are expressed in terms of two-body nodal connectors which incorporate all reflections between a pair of particles. We study the two- and three-body cluster integrals in some detail and show how these are related to the dielectric virial expansion and to the first term of the Kirkwood-Yvon expansion

Organic chemicals jeopardize the health of freshwater ecosystems on the continental scale.

Science.gov (United States)

Malaj, Egina; von der Ohe, Peter C; Grote, Matthias; Kühne, Ralph; Mondy, Cédric P; Usseglio-Polatera, Philippe; Brack, Werner; Schäfer, Ralf B

2014-07-01

Organic chemicals can contribute to local and regional losses of freshwater biodiversity and ecosystem services. However, their overall relevance regarding larger spatial scales remains unknown. Here, we present, to our knowledge, the first risk assessment of organic chemicals on the continental scale comprising 4,000 European monitoring sites. Organic chemicals were likely to exert acute lethal and chronic long-term effects on sensitive fish, invertebrate, or algae species in 14% and 42% of the sites, respectively. Of the 223 chemicals monitored, pesticides, tributyltin, polycyclic aromatic hydrocarbons, and brominated flame retardants were the major contributors to the chemical risk. Their presence was related to agricultural and urban areas in the upstream catchment. The risk of potential acute lethal and chronic long-term effects increased with the number of ecotoxicologically relevant chemicals analyzed at each site. As most monitoring programs considered in this study only included a subset of these chemicals, our assessment likely underestimates the actual risk. Increasing chemical risk was associated with deterioration in the quality status of fish and invertebrate communities. Our results clearly indicate that chemical pollution is a large-scale environmental problem and requires far-reaching, holistic mitigation measures to preserve and restore ecosystem health.

PREDICTING SOIL SORPTION COEFFICIENTS OF ORGANIC CHEMICALS USING A NEURAL NETWORK MODEL

Science.gov (United States)

The soil/sediment adsorption partition coefficient normalized to organic carbon (Koc) is extensively used to assess the fate of organic chemicals in hazardous waste sites. Several attempts have been made to estimate the value of Koc from chemical structure ...

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Davies, M. J.; Dawson, P.; Hammersley, S. [School of Physics and Astronomy, Photon Science Institute, University of Manchester, M13 9PL Manchester (United Kingdom); Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A. [Department of Material Science and Metallurgy, 27 Charles Babbage Road, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

2016-06-20

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10{sup 11 }cm{sup −2 }pulse{sup −1} per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

Nonpolar III-nitride vertical-cavity surface-emitting lasers incorporating an ion implanted aperture

KAUST Repository

Leonard, J. T.; Cohen, D. A.; Yonkee, B. P.; Farrell, R. M.; Margalith, T.; Lee, S.; DenBaars, S. P.; Speck, J. S.; Nakamura, S.

2015-01-01

© 2015 AIP Publishing LLC. We report on our recent progress in improving the performance of nonpolar III-nitride vertical-cavity surface-emitting lasers (VCSELs) by using an Al ion implanted aperture and employing a multi-layer electron-beam evaporated ITO intracavity contact. The use of an ion implanted aperture improves the lateral confinement over SiNx apertures by enabling a planar ITO design, while the multi-layer ITO contact minimizes scattering losses due to its epitaxially smooth morphology. The reported VCSEL has 10 QWs, with a 3nm quantum well width, 1nm barriers, a 5nm electron-blocking layer, and a 6.95- λ total cavity thickness. These advances yield a single longitudinal mode 406nm nonpolar VCSEL with a low threshold current density (∼16kA/cm²), a peak output power of ∼12μW, and a 100% polarization ratio. The lasing in the current aperture is observed to be spatially non-uniform, which is likely a result of filamentation caused by non-uniform current spreading, lateral optical confinement, contact resistance, and absorption loss.

Nonpolar III-nitride vertical-cavity surface-emitting lasers incorporating an ion implanted aperture

KAUST Repository

Leonard, J. T.

2015-07-06

© 2015 AIP Publishing LLC. We report on our recent progress in improving the performance of nonpolar III-nitride vertical-cavity surface-emitting lasers (VCSELs) by using an Al ion implanted aperture and employing a multi-layer electron-beam evaporated ITO intracavity contact. The use of an ion implanted aperture improves the lateral confinement over SiNx apertures by enabling a planar ITO design, while the multi-layer ITO contact minimizes scattering losses due to its epitaxially smooth morphology. The reported VCSEL has 10 QWs, with a 3nm quantum well width, 1nm barriers, a 5nm electron-blocking layer, and a 6.95- λ total cavity thickness. These advances yield a single longitudinal mode 406nm nonpolar VCSEL with a low threshold current density (∼16kA/cm²), a peak output power of ∼12μW, and a 100% polarization ratio. The lasing in the current aperture is observed to be spatially non-uniform, which is likely a result of filamentation caused by non-uniform current spreading, lateral optical confinement, contact resistance, and absorption loss.

Detection of electrically neutral and nonpolar molecules in ionic solutions using silicon nanowires

Science.gov (United States)

Wu, Ying-Pin; Chu, Chia-Jung; Tsai, Li-Chu; Su, Ya-Wen; Chen, Pei-Hua; Moodley, Mathew K.; Huang, Ding; Chen, Yit-Tsong; Yang, Ying-Jay; Chen, Chii-Dong

2017-04-01

We report on a technique that can extend the use of nanowire sensors to the detection of interactions involving nonpolar and neutral molecules in an ionic solution environment. This technique makes use of the fact that molecular interactions result in a change in the permittivity of the molecules involved. For the interactions taking place at the surface of nanowires, this permittivity change can be determined from the analysis of the measured complex impedance of the nanowire. To demonstrate this technique, histidine was detected using different charge polarities controlled by the pH value of the solution. This included the detection of electrically neutral histidine at a sensitivity of 1 pM. Furthermore, it is shown that nonpolar molecules, such as hexane, can also be detected. The technique is applicable to the use of nanowires with and without a surface-insulating oxide. We show that information about the changes in amplitude and the phase of the complex impedance reveals the fundamental characteristics of the molecular interactions, including the molecular field and the permittivity.

A polarity-induced defect mechanism for conductivity and magnetism at polar-nonpolar oxide interfaces.

Science.gov (United States)

Yu, Liping; Zunger, Alex

2014-10-13

The discovery of conductivity and magnetism at the polar-nonpolar interfaces of insulating nonmagnetic oxides such as LaAlO3 and SrTiO3 has raised prospects for attaining interfacial functionalities absent in the component materials. Yet, the microscopic origin of such emergent phenomena remains unclear, posing obstacles to design of improved functionalities. Here we present first principles calculations of electronic and defect properties of LaAlO3/SrTiO3 interfaces and reveal a unifying mechanism for the origins of both conductivity and magnetism. We demonstrate that the polar discontinuity across the interface triggers thermodynamically the spontaneous formation of certain defects that in turn cancel the polar field induced by the polar discontinuity. The ionization of the spontaneously formed surface oxygen vacancy defects leads to interface conductivity, whereas the unionized Ti-on-Al antisite defects lead to interface magnetism. The proposed mechanism suggests practical design principles for inducing and controlling both conductivity and magnetism at general polar-nonpolar interfaces.

Characterization and growth mechanism of nonpolar and semipolar GaN layers grown on patterned sapphire substrates

International Nuclear Information System (INIS)

Okada, Narihito; Tadatomo, Kazuyuki

2012-01-01

Nonpolar and semipolar GaN layers with markedly improved crystalline quality can be obtained by selective-area growth from the sapphire sidewalls of patterned sapphire substrates (PSSs). In this paper, we review the crystalline qualities of GaN layers grown on PSSs and their growth mechanism. We grew semipolar {1 1 −2 2} and {1 0 −1 1} GaN layers on r- and n-PSSs. The crystalline qualities of the GaN layers grown on the PSSs were higher than those of GaN layers grown directly on heteroepitaxial substrates. To reveal the growth mechanism of GaN layers grown on PSSs, we also grew various nonpolar and semipolar GaN layers such as m-GaN on a-PSS, {1 1 −2 2} GaN on r-PSS, {1 0 − 1  1} GaN on n-PSS, m-GaN on c-PSS and a-GaN on m-PSS. It was found that the nucleation of GaN on the c-plane-like sapphire sidewall results in selective growth from the sapphire sidewall, and nonpolar or semipolar GaN can be obtained. Finally, we demonstrated a light-emitting diode fabricated on a {1 1 −2 2} GaN layer grown on an r-PSS. (paper)

Growth on nonpolar and semipolar GaN: The substrate dilemma

Energy Technology Data Exchange (ETDEWEB)

Wernicke, T.; Weyers, M. [Ferdinand-Braun-Institute, Berlin (Germany); Kneissl, M. [Ferdinand-Braun-Institute, Berlin (Germany); Institute of Solid State Physics, TU Berlin (Germany)

2009-07-01

Growth of nonpolar and semipolar GaN is very promising for achieving green laser diodes (LDs). However, the choice of the substrate is a difficult one: Heteroepitaxial growth on sapphire, SiC, LiAlO{sub 2} yields GaN films with a poor surface quality and high defect densities. On the other hand non- and semipolar bulk GaN substrates provide excellent crystal quality, but are so far only available in very small sizes. In this paper hetero- and homoepitaxial growth is compared. For all heteroepitaxially grown semi- and nonpolar GaN layers threading dislocations (TD) and basal plane stacking faults (BSF) can be found. There are four possible mechanisms for the generation of BSF: Growth of the N-polar basal plane, formation during nucleation at substrate steps, formation at the coalescence front of differently stacked nucleation islands, and generation at planar defects occurring in m-plane GaN on LiAlO{sub 2}. BSF induce surface roughening and are associated with partial dislocations causing nonradiative recombination. Thus they affect the performance of devices. We show that BSFs and TDs can be reduced by epitaxial lateral overgrowth resulting in several micrometer wide defect free areas. However, for LEDs larger defect-free areas are required. GaN layers grown on bulk GaN substrates exhibit a high crystal quality, but show in many cases long-range surface structures with a height of {approx}1{mu}m.

Physical and chemical parameters of sediment extraction and fractionation that influence toxicity, as evaluated by microtox (trade name)

International Nuclear Information System (INIS)

Ho, K.T.Y.; Quinn, J.G.

1993-01-01

Several physical and chemical parameters of sediment extraction and fractionation of organic compounds that influence bioassay results were evaluated. Each parameter was evaluated with a photoluminescent bacterial bioassay (Microtox) as an end point. Three solvents (acetonitrile, acetone, and methanol) were studied for their ability to extract toxic organic components from marine sediments. Acetone extracted the most toxicity, with no difference between acetonitrile and methanol. Two methods of fractionating sediment extracts (silica-gel-column chromatography (SGCC) and acid-base fractionation) were compared. SGCC was more useful because it resulted in a wider range of responses and was faster to perform than acid-base fractionation. Microtox was used to rank four marine sediments with respect to toxicity and to determine if one chemical class (or fraction) was consistently more toxic among different sediments. With some caveats, Microtox results agreed with general chemical concentration trends and other bioassay results in distinguishing between contaminated and noncontaminated sediments. Although results indicated there was not a consistently most toxic fraction among sediments, there was a consistently least toxic fraction. The effect of sediment storage time on toxicity was also evaluated. Results indicated that the most stable chemical fraction (containing nonpolar hydrocarbons) did not change toxicologically for 30 weeks, whereas the more chemically active fraction (containing ketones, quinones, and carboxyls) changed as soon as one week

Defence biochemical mechanisms of the organisms against chemical pollution and ionizing radiations

International Nuclear Information System (INIS)

Olinescu, Radu

2001-01-01

Acute exposure to high concentrations / doses of chemical pollutants and ionizing radiation usually kills giving no chance for survival, if not immediately, than later followed by specific diseases. Fortunately, this acute exposure is accidental, but chronic, low level exposure is also damaging. The involvement of pollution, especially of chemically produced, one in the etiology of several diseases is still under intensive research. Compared to other kinds of pollution (radioactive, microbiological), the chemical one seldom kills suddenly; it acts slowly, silently, by accumulation into the tissues, eventually inducing a failure of certain organ. The body is continuously adapting to low level concentrations of chemicals from environment until a certain threshold. All organisms, including humans, have a limited capacity of resisting the effects of various types of pollutants. Extensive laboratory research, demonstrated that most of damaging organic pollutants cause the formation of free radicals when they penetrate into the body and are metabolized. Free radicals are very reactive and are known to damage tissues with potentially fatal results. Substantial experimental evidence in recent years has demonstrated that all organisms are endowed with versatile, efficient antioxidant systems, that provide protection against the formation or effects of free radicals. However, the antioxidant systems are limited and when their capacity of protection is exceeded, injury resulting in illness or death occurs. In most cases, the harmful effects of chemicals on organisms depend on the biotransformation step, where free radicals are produced as byproducts of the metabolic reactions. The damaging effects of chemical pollutants are mostly restricted to an important organ depending on the way of penetration, nature of the compound and concentration. The organisms possess specific and nonspecific defense systems, which act from the exposure step, with attempt to block the entry of

Sorption, Photodegradation, and Chemical Transformation of Naproxen and Ibuprofen in Soils and Water

Science.gov (United States)

Vulava, V. M.; Cory, W. C.; Murphey, V.; Ulmer, C.

2015-12-01

Trace levels of pharmaceutically active compounds (PhACs) are increasingly being found in municipal drinking water and natural streams around the world. PhACs enter natural water systems after passing through wastewater treatment plants that have proven to be relatively inefficient at removing them. Once they are released into the environment, they can undergo (1) soil sorption, (2) photodegradation, and/or (3) chemical transformation into structurally similar compounds. The overarching goal of this study is to understand the geochemical fate of common PhACs in the environment. Here we report on our studies with naproxen (NAP) and ibuprofen (IBP) in soils and water. Both compounds are complex nonpolar (aromatic) organic molecules with polar (carboxylic acid) functional groups. The carboxylic functional groups are likely to be deprotonated at environmentally relevant pHs (~4-8). Sorption studies of both compounds were conducted in clean and relatively acidic (soil pH ~4.5-6.5) natural soils that contained varying levels of organic matter (OM), clay minerals, and Fe oxides. OM was observed to play an important role in each of the above three processes. Sorption was observed to be stronger and nonlinear in higher OM soils, while weaker but still significant in lower OM, higher clay soils; the amphiphilic nature of NAP and IBP combined with the complex charged and nonpolar surfaces available in the soil was observed to control the sorption behavior. Both NAP and IBP underwent rapid photodegradation in aqueous suspensions when exposed to simulated sunlight. The degradation rates were observed to change in the presence of humic acid or fulvic acid. During sorption and photodegradation experiments, common transformation products were observed for both NAP and IBP. The transformation products produced were indicative of chemical transformation and not biological factors. Concentrations of the transformation products were significantly higher in the photoexposed aqueous

Surfactant-modified zeolites as permeable barriers to organic and inorganic groundwater contaminants

International Nuclear Information System (INIS)

Bowman, R.S.; Sullivan, E.J.

1995-01-01

We have shown in laboratory experiments that natural zeolites treated with hexadecyltrimethylammonium (HDTMA) are effective sorbents for nonpolar organics, inorganic cations, and inorganic anions. Due to their low cost (∼$0.75/kg) and granular nature, HDTMA-zeolites appear ideal candidates for reactive, permeable subsurface barriers. The HDTMA-zeolites are stable over a wide range of pH (3-13), ionic strength (1 M Cs + or Ca 2+ ), and in organic solvents. Surfactant-modified zeolites sorb nonpolar organics (benzene, toluene, xylene, chlorinated aliphatics) via a partitioning mechanism, inorganic cations (Pb 2+ ) via ion exchange and surface complexation, and inorganic anions (CrO 4 2- , SeO 4 2- , SO 4 2- ) via surface precipitation.The goal of this work is to demonstrate the use of surfactant-modified zeolite as a permeable barrier to ground water contaminants

Toxicity of selected organic chemicals to the earthworm Eisenia fetida

Energy Technology Data Exchange (ETDEWEB)

Neuhauser, E.F.; Loehr, R.C.; Malecki, M.R.; Milligan, D.L.; Durkin, P.R.

A number of methods recently have been developed to biologically evaluate the impact of man's activities on soil ecosystems. Two test methods, the 2-d contact test and the 14-d artificial soil test, were used to evaluate the impact of six major classes of organic chemicals on the earthworm Eisenia fetida (Savigny). Of the organic chemicals tested, phenols and amines were the most toxic to the worms, followed in descending order of toxicity by the substituted aromatics, halogenated aliphatics, polycyclic aromatic hydrocarbons, and phthalates. No relationship was found between earthworm toxicity as determined by the contact test and rat, Rattus norvegicus Berkenhout and mouse, Mus musculus L. LD/sub 50/ values. The physicochemical parameters of water solubility, vapor pressure, and octanol/water partition coefficient for the chemicals tested in the contact test did not show a significant relationship to the E. fetida LC/sub 50/ values. These studies indicate that: (i) earthworms can be a suitable biomonitoring tool to assist in measuring the impact of organic chemicals in wastes added to soils and (ii) contact and artificial soil tests can be useful in measuring biological impacts.

Non-polar organic compounds as PM2.5 source tracers: Investigation of their sources and degradation in the Pearl River Delta, China

Science.gov (United States)

Wang, Q.; Feng, Y.; Huang, X. H. H.; Griffith, S.; Zhang, T.; Zhang, Q.; Wu, D.; Yu, J.

2016-12-01

Nonpolar organic compounds (NPOCs) including alkanes, polycyclic aromatic hydrocarbons (PAHs), hopanes, steranes, and 1,3,5-triphenylbenzene, were quantified in PM2.5 samples at four sites in the Pearl River Delta (PRD) region, China over a two-year period from 2011 to 2012. The four sites include one industrial zone (Nanhai), one urban (Guangzhou), one urban outskirt (Dongguan) and one suburban (Nansha) locations. Some NPOCs are uniquely emitted from particular combustion sources, and thereby serving as convenient markers in source apportionment. Based on this multi-year and multi-site data set, spatial and seasonal variations, correlation analysis and ratio-ratio plots were used to investigate the source information and degradation of NPOC tracers. In summer, NPOCs showed distinct local emission characteristics, with urban sites having much higher concentrations than suburban site. In winter, regional transport was an important influence on NPOC levels, driving up concentrations at all sampling sites and diminishing an urban-suburban spatial gradient. The lighter NPOCs exhibited more prominent seasonal variations, suggesting their particle-phase abundance is more influenced by temperature, a critical factor in controlling the extent of semi-volatile organics partitioned into the aerosol phase. The heavier NPOCs, especially PAHs, showed negligible correlation among the four sites, suggesting more influence from local emissions. Ratio-ratio plots indicate photo-degradation and mixing of various sources for the NPOCs in the PRD. A positive matrix factorization (PMF) analysis of this large NPOC data set suggests that heavier NPOCs are more suitable source indicators than lighter NPOCs. Incorporating particle-phase light NPOC concentrations in PMF produces a separate factor, which primarily contains those light NPOCs and likely is not a source factor. Total NPOC concentrations predicted using Pankow partitioning theory were explored as PMF inputs, however, the PMF

Acid-resistant organic coatings for the chemical industry: a review

DEFF Research Database (Denmark)

Møller, Victor Buhl; Dam-Johansen, Kim; Frankær, Sarah Maria Grundahl

2017-01-01

Industries that work with acidic chemicals in their processes need to make choices on how to properly contain the substances and avoid rapid corrosion of equipment. Certain organic coatings and linings can be used in such environments, either to protect vulnerable construction materials, or......, in combination with fiber reinforcement, to replace them. However, degradation mechanisms of organic coatings in acid service are not thoroughly understood and relevant quantitative investigations are scarce. This review describes the uses and limitations of acid-resistant coatings in the chemical industry...

Observations of Rabi oscillations in a non-polar InGaN quantum dot

Energy Technology Data Exchange (ETDEWEB)

Reid, Benjamin P. L., E-mail: benjamin.reid@physics.ox.ac.uk; Chan, Christopher C. S.; Taylor, Robert A. [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Kocher, Claudius [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Konstanz University, Konstanz (Germany); Zhu, Tongtong; Oehler, Fabrice; Emery, Robert; Oliver, Rachel A. [Department of Materials Science and Metallurgy, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

2014-06-30

Experimental observation of Rabi rotations between an exciton excited state and the crystal ground state in a single non-polar InGaN quantum dot is presented. The exciton excited state energy is determined by photoluminescence excitation spectroscopy using two-photon excitation from a pulsed laser. The population of the exciton excited state is seen to undergo power dependent damped Rabi oscillations.

Observations of Rabi oscillations in a non-polar InGaN quantum dot

International Nuclear Information System (INIS)

Reid, Benjamin P. L.; Chan, Christopher C. S.; Taylor, Robert A.; Kocher, Claudius; Zhu, Tongtong; Oehler, Fabrice; Emery, Robert; Oliver, Rachel A.

2014-01-01

Experimental observation of Rabi rotations between an exciton excited state and the crystal ground state in a single non-polar InGaN quantum dot is presented. The exciton excited state energy is determined by photoluminescence excitation spectroscopy using two-photon excitation from a pulsed laser. The population of the exciton excited state is seen to undergo power dependent damped Rabi oscillations.

Surface topology caused by dislocations in polar, semipolar, and nonpolar InGaN/GaN heterostructures

Energy Technology Data Exchange (ETDEWEB)

Schade, L.; Schwarz, U.T. [Fraunhofer Institute for Applied Solid State Physics IAF, Freiburg (Germany); Department of Microsystems Engineering (IMTEK), University of Freiburg (Germany); Wernicke, T.; Rass, J.; Ploch, S. [Institute of Solid State Physics, TU Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, TU Berlin (Germany); Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Berlin (Germany)

2014-04-15

The impact of dislocations on surface topology as well as on quantum well emission in c-plane, semipolar, and nonpolar InGaN/GaN heterostructures is being analyzed by micro-photoluminescence and white-light-interferometry. V-pits with (10 anti 11) and (10 anti 1 anti 4) side facets are identified in a (10 anti 12) semipolar heterostructure. Hillocks formed by spiral growth around screw dislocations change from hexagonal to triangular to rectangular shape in polar, semipolar, and nonpolar heterostructures, respectively, reflecting the symmetry of the individual surface. The emission in semipolar quantum wells, grown homoepitaxially on bulk GaN substrates, show dark stripes aligned with misfit dislocations. For (11 anti 22) and (20 anti 21) orientation, these dark stripes are perpendicular and parallel, respectively, to surface striation. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Computing chemical organizations in biological networks.

Science.gov (United States)

Centler, Florian; Kaleta, Christoph; di Fenizio, Pietro Speroni; Dittrich, Peter

2008-07-15

Novel techniques are required to analyze computational models of intracellular processes as they increase steadily in size and complexity. The theory of chemical organizations has recently been introduced as such a technique that links the topology of biochemical reaction network models to their dynamical repertoire. The network is decomposed into algebraically closed and self-maintaining subnetworks called organizations. They form a hierarchy representing all feasible system states including all steady states. We present three algorithms to compute the hierarchy of organizations for network models provided in SBML format. Two of them compute the complete organization hierarchy, while the third one uses heuristics to obtain a subset of all organizations for large models. While the constructive approach computes the hierarchy starting from the smallest organization in a bottom-up fashion, the flux-based approach employs self-maintaining flux distributions to determine organizations. A runtime comparison on 16 different network models of natural systems showed that none of the two exhaustive algorithms is superior in all cases. Studying a 'genome-scale' network model with 762 species and 1193 reactions, we demonstrate how the organization hierarchy helps to uncover the model structure and allows to evaluate the model's quality, for example by detecting components and subsystems of the model whose maintenance is not explained by the model. All data and a Java implementation that plugs into the Systems Biology Workbench is available from http://www.minet.uni-jena.de/csb/prj/ot/tools.

Organic chemical aging mechanisms: An annotated bibliography. Waste Tank Safety Program

Energy Technology Data Exchange (ETDEWEB)

Samuels, W.D.; Camaioni, D.M.; Nelson, D.A.

1993-09-01

An annotated bibliography has been compiled of the potential chemical and radiological aging mechanisms of the organic constituents (non-ferrocyanide) that would likely be found in the UST at Hanford. The majority of the work that has been conducted on the aging of organic chemicals used for extraction and processing of nuclear materials has been in conjunction with the acid or PUREX type processes. At Hanford the waste being stored in the UST has been stabilized with caustic. The aging factors that were used in this work were radiolysis, hydrolysis and nitrite/nitrate oxidation. The purpose of this work was two-fold: to determine whether or not research had been or is currently being conducted on the species associated with the Hanford UST waste, either as a mixture or as individual chemicals or chemical functionalities, and to determine what areas of chemical aging need to be addressed by further research.

Growth and characterization of nonpolar (10-10) ZnO transparent conductive oxide on semipolar (11–22) GaN-based light-emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Kim, Ki-Wook; Choi, Nak-Jung [Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung, Gyeonggi-do, 429-839 (Korea, Republic of); Kim, Kyoung-Bo [Department of Metallurgical and Materials Engineering, Inha Technical College, Incheon, 402-752 (Korea, Republic of); Kim, Moojin [Department of Renewable Energy, Jungwon University, 85, Munmu-ro, Goesan-eup, Goesan-gun, Chungbuk, 367-805 (Korea, Republic of); Lee, Sung-Nam, E-mail: snlee@kpu.ac.kr [Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung, Gyeonggi-do, 429-839 (Korea, Republic of)

2016-05-05

We have grown thin films of nonpolar m-plane (10-10) ZnO on a semipolar (11–22) GaN template by atomic layer deposition (ALD) at low growth temperatures (<200 °C). The surface morphology of the ZnO film is found to be an arrowhead-like structure, which is a typical surface structure of the semipolar (11–22) GaN films. On increasing the growth temperature of the ZnO films, the concentration and mobility of the charge carriers in the ZnO film are increased. However, the optical transmittance decreases with an increase in the growth temperature. Based on these results, we have fabricated semipolar (11–22) GaN-based light-emitting diodes (LEDs) with nonpolar m-plane ZnO film as a transparent conductive oxide (TCO) to improve the light extraction efficiency. In spite of a decrease in the optical transmittance, the operation voltage of semipolar (11–22) GaN-based LEDs is found to decrease with an increase in the growth temperature, which might be due to the improvements in the electrical properties and current spreading effect, resulting in an increase in the optical output power. - Highlights: • Polarity control of ZnO film grown in m-/c-sapphire and semipolar GaN template. • Achievement of high quality nonpolar m-plane ZnO flims on semipolar (11–22) GaN template. • The simultaneous improvements of carrier concentration and mobility in the nonpolar ZnO TCO flims. • Nonpolar ZnO TCO increases current spreading length and light output power of semipolar GaN-LED.

Influence of Nonpolar Substances on the Extraction Efficiency of Six Alkaloids in Zoagumhwan Investigated by Ultra Performance Liquid Chromatography and Photodiode Array Detection

Directory of Open Access Journals (Sweden)

Shijing Liu

2012-11-01

Full Text Available A reverse phase ultra performance liquid chromatography and photodiode array (UPLC-PDA detection method was established for the determination of six alkaloids in Zoagumhwan (ZGW, and further for investigating the influence of nonpolar substances on the extraction efficiency of these alkaloids. The method was based on a BEH C18 (50 mm × 2.1 mm, 1.7 μm column and mobile phase of aqueous phosphoric acid and acetonitrile including 0.05% buffer solution under gradient elution. ZGW samples of ZGW I, II, III and IV were obtained and prepared by pre-processing the crude materials of Coptidis rhizoma and Evodiae fructus using four technologies, namely direct water decoction, removal of nonpolar substances in Evodiae fructus by supercritical fluid extraction (SFE, removal of nonpolar substances in ZGW by SFE and removal of nonpolar substances in ZGW by steam distillation. The developed and validated UPLC-PDA method was precise, accurate and sensitive enough based on the facts that the six alkaloids showed good regression (r > 0.9998, the limit of detections and quantifications for six alkaloids were less than 28.8 and 94.5 ng/mL, respectively, and the recovery was in the range of 98.56%–103.24%. The sequence of the total contents of six alkaloids in these samples was ZGW II > ZGW IV > ZGW III > ZGW I. ZGW II, in which nonpolar substances, including essential oils, were firstly removed from Evodiae fructus by SFE, had the highest content of the total alkaloids, indicating that extraction efficiency of the total alkaloids could be remarkably increased after Evodiae fructus being extracted by SFE.

Nonpolar organic compounds as PM2.5 source tracers: Investigation of their sources and degradation in the Pearl River Delta, China

Science.gov (United States)

Wang, Qiongqiong; Feng, Yongming; Huang, X. H. Hilda; Griffith, Stephen M.; Zhang, Ting; Zhang, Qingyan; Wu, Dui; Yu, Jian Zhen

2016-10-01

A group of nonpolar organic compounds (NPOCs) in five compound classes including alkanes, polycyclic aromatic hydrocarbons (PAHs), hopanes, steranes, and 1,3,5-triphenylbenzene were quantified in samples of particulate matter of aerodynamic diameter less than 2.5 μm collected at four sites in the Pearl River Delta (PRD) region, China, over a 2 year period from 2011 to 2012. The four sites include industrial (Nanhai), urban (Guangzhou), urban outskirt (Dongguan), and suburban (Nansha) locations. Some NPOCs are uniquely emitted from particular combustion sources and thereby serving as markers in source apportionment. Based on this multiyear and multisite NPOC data set, spatial and seasonal variations, correlation analysis, and ratio-ratio plots were used to investigate the source information and degradation of NPOC tracers. In summer, NPOCs showed distinct local emission characteristics, with urban sites having much higher concentrations than suburban sites. In winter, regional transport was an important influence on NPOC levels, driving up concentrations at all sampling sites and diminishing an urban-suburban spatial gradient. The lighter NPOCs exhibited more prominent seasonal variations. Such spatiotemporal features suggest that their particle-phase abundance is more influenced by temperature, which is a critical factor in controlling the extent of semivolatile organics partitioned into the aerosol phase. The heavier NPOCs, especially PAHs, showed negligible correlation among the four sites, suggesting more influence from local emissions. Ratio-ratio plots indicate photodegradation and mixing of various sources for the NPOCs in the PRD. A positive matrix factorization (PMF) analysis of this large NPOC data set suggests that heavier NPOCs are more suitable source indicators than lighter NPOCs. Incorporating particle-phase light NPOC concentrations in PMF produces a separate factor, which primarily contains those light NPOCs and likely is not a source factor. Total

From bioavailability science to regulation of organic chemicals

NARCIS (Netherlands)

Ortega-Calvo, J.J.; Harmsen, J.; Parsons, J.R.; Semple, K.T.; Aitkin, M.D.; Ajao, C.; Eadsforth, C.; Galay-Burgos, M.; Naidu, R.; Oliver, R.; Peijnenburg, W.J.G.M.; Römbke, J.; Streck, G.; Versonnen, B.

2015-01-01

The bioavailability of organic chemicals in soil and sediment is an important area of scientific investigation for environmental scientists, although this area of study remains only partially recognized by regulators and industries working in the environmental sector. Regulators have recently

Where do organic chemicals found in soil systems come from

International Nuclear Information System (INIS)

Dragun, J.; Mason, S.A.; Barkach, J.H.

1991-01-01

Today's regulatory climate encourages the private sector to assess the environmental condition of their facilities. An environmental assessment often includes the collection of soil samples. Despite the trend to obtain reams of numbers to show the presence of chemicals, many misconceptions exist among environmental scientists and engineers regarding the interpretation of those numbers. The presence of organic chemicals in soil may or may not be problematic. This depends primarily upon the source. If an industrial point source is responsible for the spill or bulk release, then remedial activity usually ensues. However, if the source is not an industrial release, then remedial activity may not be required. This paper will briefly discuss the sources, other than industrial point sources, responsible for the presence of organic chemicals in soil systems

TMVOC, simulator for multiple volatile organic chemicals

International Nuclear Information System (INIS)

Pruess, Karsten; Battistelli, Alfredo

2003-01-01

TMVOC is a numerical simulator for three-phase non-isothermal flow of water, soil gas, and a multicomponent mixture of volatile organic chemicals (VOCs) in multidimensional heterogeneous porous media. It is an extension of the TOUGH2 general-purpose simulation program developed at the Lawrence Berkeley National Laboratory. TMVOC is designed for applications to contamination problems that involve hydrocarbon fuel or organic solvent spills in saturated and unsaturated zones. It can model contaminant behavior under ''natural'' environmental conditions, as well as for engineered systems, such as soil vapor extraction, groundwater pumping, or steam-assisted source remediation. TMVOC is upwards compatible with T2VOC (Falta et al., 1995) and can be initialized from T2VOC-style initial conditions. The main enhancements in TMVOC relative to T2VOC are as follows: a multicomponent mixture of volatile organic chemicals can be modeled; any and all combinations of the three phases water-oil-gas are treated; several non-condensible gases may be present; diffusion is treated in all phases in a manner that is fully coupled with phase partitioning. This paper gives a brief summary of the methodology used in TMVOC as well as highlighting some implementation issues. Simulation of a NAPL spill and subsequent remediation is discussed for a 2-D vertical section of a saturated-unsaturated flow problem

Organic chemicals in the environment

International Nuclear Information System (INIS)

Anderson, T.A.; Beauchamp, J.J.; Walton, B.T.

1991-01-01

Disappearance of 15 volatile and semivolatile organic compounds was determined in a mixture added to two different soil types using experimental procedures to distinguish abiotic losses from biological degradation over a 7-d period. Losses due to volatilization were quantified and mass balances were calculated for each compound. The compounds (methyl ethyl ketone; tetrahydrofuran; chlorobenzene; benzene; chloroform; carbon tetrachloride; p-xylene; 1,2-dichlorobenzene; cis-1,4-dich-loro-2-butene; 1,2,3-trichloropropane; 2-chloronaphthalene; ethylene dibromide; hexachlorobenzene; nitrobenzene; and toluene) were applied to the soil in a mixture such that the concentration of each chemical was 100 mg/kg soil (dry wt.). Apparent half-lives for the 15 organic compounds ranged from 14 C-toluene, were unsuccessful. Nonreversible sorption and preanalysis storage conditions were considered as contributors to this inability to achieve a mass balance. On the basis of these results, the authors strongly advise positive accounting for all test compounds and degradation products at the conclusion of studies involving volatile and semivolatile compounds

Self-assembling bilayers of palladiumthiolates in organic media

Indian Academy of Sciences (India)

Unknown

applications in catalytic systems, solubalizing agents and drug delivery matrices. Following the pioneering efforts of ... In this context, self-assembly of amphipiles in nonpolar organic media assumes significance 8 since .... structures in clear contrast to lamellar phases formed by the higher members. We sought to image the ...

Conversion of polar and non-polar algae oil lipids to fatty acid methyl esters with solid acid catalysts--A model compound study.

Science.gov (United States)

Asikainen, Martta; Munter, Tony; Linnekoski, Juha

2015-09-01

Bio-based fuels are becoming more and more important due to the depleting fossil resources. The production of biodiesel from algae oil is challenging compared to terrestrial vegetable oils, as algae oil consists of polar fatty acids, such as phospholipids and glycolipids, as well as non-polar triglycerides and free fatty acids common in vegetable oils. It is shown that a single sulphonated solid acid catalyst can perform the esterification and transesterification reactions of both polar and non-polar lipids. In mild reaction conditions (60-70 °C) Nafion NR50 catalyst produces methyl palmitate (FAME) from the palmitic acid derivatives of di-, and tri-glyceride, free fatty acid, and phospholipid with over 80% yields, with the glycolipid derivative giving nearly 40% yields of FAME. These results demonstrate how the polar and non-polar lipid derivatives of algal oil can be utilised as feedstocks for biodiesel production with a single catalyst in one reaction step. Copyright © 2015 Elsevier Ltd. All rights reserved.

Thermochemolysis: A New Sample Preparation Approach for the Detection of Organic Components of Complex Macromolecules in Mars Rocks via Gas Chromatography Mass Spectrometry in SAM on MSL

Science.gov (United States)

Eugenbrode, J.; Glavin, D.; Dworkin, J.; Conrad, P.; Mahaffy, P.

2011-01-01

Organic chemicals, when present in extraterrestrial samples, afford precious insight into past and modern conditions elsewhere in the Solar System . No single technology identifies all molecular components because naturally occurring molecules have different chemistries (e.g., polar vs. non-polar, low to high molecular weight) and interface with the ambient sample chemistry in a variety of modes (i.e., organics may be bonded, absorbed or trapped by minerals, liquids, gases, or other organics). More than 90% of organic matter in most natural samples on Earth and in meteorites is composed of complex macromolecules (e.g. biopolymers, complex biomolecules, humic substances, kerogen) because the processes that tend to break down organic molecules also tend towards complexation of the more recalcitrant components. Thus, methodologies that tap the molecular information contained within macromolecules may be critical to detecting extraterrestrial organic matter and assessing the sources and processes influencing its nature.

Chemical, green and organic manure effects on chemical properties on a savannah oxisol and on corn under conventional tillage and no-tillage

Science.gov (United States)

Mannigel, Anny R.; Alves, Marlene C.; Valério Filho, Walter V.

2015-04-01

Modern agriculture, in general, has always been based on the concept that natural resources are endless; however, this concept is changing. Concern for the environment is increasingly becoming part of farming practices, either by the awareness of society, or because the high cost of fertilizers or even the exhaustion of soils. The objective of this research was to evaluate the effects of the green manure and mineral fertilizer and/or organic manure and, on the chemical properties of an Oxisol, on "Savannah" (cerrado) area in Mato Grosso do Sul-Brazil, cultivated with corn (Zea mays L.) on the following management conditions: no-tillage and conventional tillage, on area previously under pasture (Brachiaria decumbens). The experimental design was a randomized blocks and the tested treatments were: control (without organic manure or chemical fertilizer); chemical fertilizer, as recommended for the culture and based on the chemical soil analysis; organic manure (cow manure); organic manure + half of the mineral fertilizer recommended rate; and the green manure Crotalaria juncea and Pennisetum americanum. The chemical analyses were the soil chemical analysis to the intent of soil fertility. Corn yield was evaluated. The collect of soil samples were realized in depths of 0.00-0.05 m and 0.05-0.10 m and 0.10-0.20 m. The organic manure and the organic manure + half of the mineral recommended rate increased P, Ca, Mg, K and Organic Matter in the first depth (0.00 - 0.05 m). These treatments also increased K and Mg at the second depth analyzed (0.05 - 0.10 m) and K in the depth from 0.10 - 0.20 m. Under conventional tillage management presents better crop results with an average grain yield of 3649 kg ha-1 versus 2374 kg ha-1 obtained under no-tillage. The use of chemical fertilizer, organic manure + half of the mineral recommended rate, Crotalaria juncea, organic manure and Pennisetum americanum increased corn yield by 84, 79, 58, 44 and 41 %, respectively.

Investigation of blue luminescence in Mg-doped nonpolar a-plane GaN

International Nuclear Information System (INIS)

Kim, Hogyoung; Song, Keun Man

2014-01-01

The temperature-dependent optical characteristics of blue luminescence (BL) band in Mg-doped nonpolar a-plane GaN films were investigated using photoluminescence (PL) measurements. For the sample with the highest Cp 2 Mg/TMGa ([Mg]/[Ga]) molar ratio, the BL band was shown to have two distinct peaks, one at about 2.95 eV and the other at about 2.75 eV, which were associated with the donor–acceptor pair (DAP) transitions between the one shallow Mg acceptor level and the two different deep donor levels. In contrast, a single broad BL band was observed for all other samples. Strong potential fluctuations caused by high compensation level in the sample with the highest [Mg]/[Ga] molar ratio might localize the carriers related to the 2.75 eV band, leading to the different emission characteristics in BL band as compared to other samples. -- Highlights: • The temperature-dependent optical characteristics of blue luminescence (BL) in Mg-doped nonpolar a-plane GaN were investigated using photoluminescence (PL) measurements. • At the highest [Mg]/[Ga] molar ratio, the BL was observed to have two distinct peaks at low temperatures. • The BL was associated with the one shallow Mg acceptor level and the two different Mg-related deep donor levels. • Strong potential fluctuations caused by high compensation level might localize the carriers

Investigation of blue luminescence in Mg-doped nonpolar a-plane GaN

Energy Technology Data Exchange (ETDEWEB)

Kim, Hogyoung [Department of Optometry, Seoul National University of Science and Technology, Seoul 139-743 (Korea, Republic of); Song, Keun Man, E-mail: skmmec@gmail.com [Korea Advanced Nano Fab Center, Suwon, Gyeonggi 443-770 (Korea, Republic of)

2014-01-15

The temperature-dependent optical characteristics of blue luminescence (BL) band in Mg-doped nonpolar a-plane GaN films were investigated using photoluminescence (PL) measurements. For the sample with the highest Cp{sub 2}Mg/TMGa ([Mg]/[Ga]) molar ratio, the BL band was shown to have two distinct peaks, one at about 2.95 eV and the other at about 2.75 eV, which were associated with the donor–acceptor pair (DAP) transitions between the one shallow Mg acceptor level and the two different deep donor levels. In contrast, a single broad BL band was observed for all other samples. Strong potential fluctuations caused by high compensation level in the sample with the highest [Mg]/[Ga] molar ratio might localize the carriers related to the 2.75 eV band, leading to the different emission characteristics in BL band as compared to other samples. -- Highlights: • The temperature-dependent optical characteristics of blue luminescence (BL) in Mg-doped nonpolar a-plane GaN were investigated using photoluminescence (PL) measurements. • At the highest [Mg]/[Ga] molar ratio, the BL was observed to have two distinct peaks at low temperatures. • The BL was associated with the one shallow Mg acceptor level and the two different Mg-related deep donor levels. • Strong potential fluctuations caused by high compensation level might localize the carriers.

Effect of Various Organic Fertilizers Substitute Chemical Fertilizer on Cucumber Productions

International Nuclear Information System (INIS)

Piadang, Nattayana; Ratanapanit, Sittisuk; Chaowanklang, Pratuang; Ratanapanit; Nadtinee; Jaipakdee, Putinee; Ongsakitboriboon

2006-09-01

The effect of using the various organic fertilizer to substitute on the chemical fertilizer on cucumber, was carried out at Tambol Pattananikom, Amphur Pattananikom, Lopburi, Thailand, from December 1, 2005 to February 1, 2006 By using Randomized Comp let Block Design (RCBD), Contain with 4 treatments, chemical fertilizer: 16-16-16: 40 Kg/rai (Control), Pillet organic fertilizer: 50 Kg/rai, Bio extract from cow milk: 300 cc./ water 20 Ltr,.+ compost mixed in soil and bio fertilizer from the office of Atomic Energy Peace : 300 cc./water 20 Ltr. + campost mixed in soil (15 m. 2 /plot) were compared. Experiment result indicate that there were no significant differences on the yield. The highest yield of 25.91 kg/plot (27663.73 kg/rai) was obtained from chemical fertilizer, Fertilizer, followed by pillet organic fertilizer 22.88 kg/plot (2440.53 kg/rai), bio fertilizer 22.34 kg/pot (2382.93 kg/rai) and bio extract 19.03 kg/plot) (2029.87 kg/rai.

Growth and characterization of polar and nonpolar ZnO film grown on sapphire substrates by using atomic layer deposition

International Nuclear Information System (INIS)

Kim, Ki-Wook; Son, Hyo-Soo; Choi, Nak-Jung; Kim, Jihoon; Lee, Sung-Nam

2013-01-01

We investigated the electrical and the optical properties of polar and nonpolar ZnO films grown on sapphire substrates with different crystallographic planes. High resolution X-ray results revealed that polar c-plane (0001), nonpolar m-plane (10-10) and a-plane (11-20) ZnO thin films were grown on c-plane, m- and r-sapphire substrates by atomic layer deposition, respectively. Compared with the c-plane ZnO film, nonpolar m-plane and a-plane ZnO films showed smaller surface roughness and anisotropic surface structures. Regardless of ZnO crystal planes, room temperature photoluminescence spectra represented two emissions which consisted of the near bandedge (∼ 380 nm) and the deep level emission (∼ 500 nm). The a-plane ZnO films represented better optical and electrical properties than c-plane ZnO, while m-plane ZnO films exhibited poorer optical and electrical properties than c-plane ZnO. - Highlights: • Growth and characterization of a-, c- and m-plane ZnO film by atomic layer deposition. • The a-plane ZnO represented better optical and electrical properties than c-plane ZnO. • The m-plane ZnO exhibited poorer optical and electrical properties than c-plane ZnO

Transport and Fate of Volatile Organic Chemical in Soils

DEFF Research Database (Denmark)

Petersen, Lis Wollesen

Recently much attention has been paid to the behavior of volatile organic chemicals (VOCs) in the environment. This is due to the fact that the environmental pollution with these hazardous chemicals has drastically increased during the last decades. The present study is limited to consider...... the transport and fate of VOCs in the gaseous phase, thus contributing to the overall understanding of VOCs behavior in soil, which eventually will facilitate future cleanup....

Nitrobenzene anti-parallel dimer formation in non-polar solvents

Directory of Open Access Journals (Sweden)

Toshiyuki Shikata

2014-06-01

Full Text Available We investigated the dielectric and depolarized Rayleigh scattering behaviors of nitrobenzene (NO2-Bz, which is a benzene mono-substituted with a planar molecular frame bearing the large electric dipole moment 4.0 D, in non-polar solvents solutions, such as tetrachloromethane and benzene, at up to 3 THz for the dielectric measurements and 8 THz for the scattering experiments at 20 °C. The dielectric relaxation strength of the system was substantially smaller than the proportionality to the concentration in a concentrated regime and showed a Kirkwood correlation factor markedly lower than unity; gK ∼ 0.65. This observation revealed that NO2-Bz has a tendency to form dimers, (NO2-Bz2, in anti-parallel configurations for the dipole moment with increasing concentration of the two solvents. Both the dielectric and scattering data exhibited fast and slow Debye-type relaxation modes with the characteristic time constants ∼7 and ∼50 ps in a concentrated regime (∼15 and ∼30 ps in a dilute regime, respectively. The fast mode was simply attributed to the rotational motion of the (monomeric NO2-Bz. However, the magnitude of the slow mode was proportional to the square of the concentration in the dilute regime; thus, the mode was assigned to the anti-parallel dimer, (NO2-Bz2, dissociation process, and the slow relaxation time was attributed to the anti-parallel dimer lifetime. The concentration dependencies of both the dielectric and scattering data show that the NO2-Bz molecular processes are controlled through a chemical equilibrium between monomers and anti-parallel dimers, 2NO2-Bz ↔ (NO2-Bz2, due to a strong dipole-dipole interaction between nitro groups.

Polarization of eigenmodes in laser diode waveguides on semipolar and nonpolar GaN

Energy Technology Data Exchange (ETDEWEB)

Rass, Jens; Vogt, Patrick [Institute of Solid State Physics, Technische Universitaet Berlin (Germany); Wernicke, Tim; Einfeldt, Sven; Weyers, Markus [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Berlin (Germany); Scheibenzuber, Wolfgang G.; Schwarz, Ulrich T. [Department of Physics, Regensburg University (Germany); Kupec, Jan [Integrated Systems Laboratory, ETH Zurich (Switzerland); Witzigmann, Bernd [Computational Electronics and Photonics Group, University of Kassel (Germany); Kneissl, Michael [Institute of Solid State Physics, Technische Universitaet Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Berlin (Germany)

2010-02-15

Recent calculations of the eigenmodes in waveguides grown on semipolar GaN suggest that the optical polarization of the emitted light as well as the optical gain depends on the orientation of the resonator. Our measurements on separate confinement heterostructures on semipolar (11 anti 22) and (10 anti 12) GaN show that for laser resonators along the semipolar [11 anti 2 anti 3 ] and [0 anti 111] directions (i.e. the projection of the c-axis onto the plane of growth) the threshold for amplified spontaneous emission is lower than for the nonpolar direction and that the stimulated emission is linearly polarized as TE mode. For the waveguide structures along the nonpolar [1 anti 100] or [11 anti 20] direction on the other hand, birefringence and anisotropy of the optical gain in the plane of growth leads not only to a higher threshold but also to a rotation of the optical polarization which is not any more TE- or TM-polarized but influenced by the ordinary and extraordinary refractive index of the material. We observe stimulated emission into a mode which is linearly polarized in extraordinarydirection nearly parallel to the c-axis. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Two complementary reversed-phase separations for comprehensive coverage of the semipolar and nonpolar metabolome.

Science.gov (United States)

Naser, Fuad J; Mahieu, Nathaniel G; Wang, Lingjue; Spalding, Jonathan L; Johnson, Stephen L; Patti, Gary J

2018-02-01

Although it is common in untargeted metabolomics to apply reversed-phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) methods that have been systematically optimized for lipids and central carbon metabolites, here we show that these established protocols provide poor coverage of semipolar metabolites because of inadequate retention. Our objective was to develop an RPLC approach that improved detection of these metabolites without sacrificing lipid coverage. We initially evaluated columns recently released by Waters under the CORTECS line by analyzing 47 small-molecule standards that evenly span the nonpolar and semipolar ranges. An RPLC method commonly used in untargeted metabolomics was considered a benchmarking reference. We found that highly nonpolar and semipolar metabolites cannot be reliably profiled with any single method because of retention and solubility limitations of the injection solvent. Instead, we optimized a multiplexed approach using the CORTECS T3 column to analyze semipolar compounds and the CORTECS C 8 column to analyze lipids. Strikingly, we determined that combining these methods allowed detection of 41 of the total 47 standards, whereas our reference RPLC method detected only 10 of the 47 standards. We then applied credentialing to compare method performance at the comprehensive scale. The tandem method showed more than a fivefold increase in credentialing coverage relative to our RPLC benchmark. Our results demonstrate that comprehensive coverage of metabolites amenable to reversed-phase separation necessitates two reconstitution solvents and chromatographic methods. Thus, we suggest complementing HILIC methods with a dual T3 and C 8 RPLC approach to increase coverage of semipolar metabolites and lipids for untargeted metabolomics. Graphical abstract Analysis of semipolar and nonpolar metabolites necessitates two reversed-phase chromatography (RPLC) methods, which extend metabolome coverage more

Technetium-99m labelled N,N-ethyldithiocarbamate, a non-polar complex with slow hepatic clearance

International Nuclear Information System (INIS)

Pojer, P.M.; Baldas, J.

1980-05-01

A sup(99m)Tc-N,N-diethyldithiocarbamate (DDC) complex was prepared using formamidine sulphinic acid as the reducing agent for pertechnetate sup(99m) Tc. The complex was found to be non-polar. In mice the complex localised in the liver and intestines. Urinary excretion was very low and hepatic clearance relatively slow

Comparative toxicity of ten organic chemicals to four earthworm species

Energy Technology Data Exchange (ETDEWEB)

Neuhauser, E.F.; Durkin, P.R.; Malecki, M.R.; Anatra, M.

1986-01-01

Ten organic chemicals were tested for toxicity to four earthworm species: Allolobophora tuberculata, Eisenia fetida, Eudrilus eugeniae and Perionyx excavatus, using the European Economic Community's (EEC) earthworm artificial soil and contact testing procedure. The phenols were the most toxic chemicals tested, followed by the amine, substituted benzenes, halogenated aliphatic hydrocarbon, polycyclic aromatic hydrocarbon and phthalate as the least toxic chemical tested. Correlations among species within each type of test for a given chemical were extremely high, suggesting that the selection of earthworm test species does not markedly affect the assessment of a chemical's toxicity. The correlation between the two tests was low for all test species. The contact test LC50 for a given chemical cannot be directly correlated to an artificial soil test LC50 for the same earthworm species.

Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.

Science.gov (United States)

Nazir, Safdar; Cheng, Jianli; Yang, Kesong

2016-01-13

We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electronic structure calculations. By modeling four types of CZO/STO HS-based slab systems, i.e., TiO2/CaO and SrO/ZrO2 interface models with CaO and ZrO2 surface terminations in each model separately, we found that the lattice-mismatch-induced compressive strain leads to a strong polarization in the CZO film and that as the CZO film thickness increases there exists an insulator-to-metal transition. The polarization direction and critical thickness of the CZO film for forming interfacial metallic states depend on the surface termination of CZO film in both types of interface models. In the TiO2/CaO and SrO/ZrO2 interface models with CaO surface termination, the strong polarization drives the charge transfer from the CZO film to the first few TiO2 layers in the STO substrate, leading to the formation of two-dimensional electron gas (2DEG) at the interface. In the HS models with ZrO2 surface termination, two polarization domains with opposite directions are in the CZO film, which results in the charge transfer from the middle CZO layer to the interface and surface, respectively, leading to the coexistence of the 2DEG on the interface and the two-dimensional hole gas (2DHG) at the middle CZO layer. These findings open a new avenue to achieve 2DEG (2DHG) in perovskite-based HS systems via polarization discontinuity.

Aqueous organic chemistry in the atmosphere: sources and chemical processing of organic aerosols.

Science.gov (United States)

McNeill, V Faye

2015-02-03

Over the past decade, it has become clear that aqueous chemical processes occurring in cloud droplets and wet atmospheric particles are an important source of organic atmospheric particulate matter. Reactions of water-soluble volatile (or semivolatile) organic gases (VOCs or SVOCs) in these aqueous media lead to the formation of highly oxidized organic particulate matter (secondary organic aerosol; SOA) and key tracer species, such as organosulfates. These processes are often driven by a combination of anthropogenic and biogenic emissions, and therefore their accurate representation in models is important for effective air quality management. Despite considerable progress, mechanistic understanding of some key aqueous processes is still lacking, and these pathways are incompletely represented in 3D atmospheric chemistry and air quality models. In this article, the concepts, historical context, and current state of the science of aqueous pathways of SOA formation are discussed.

Tooth Matrix Analysis for Biomonitoring of Organic Chemical Exposure: Current Status, Challenges, and Opportunities

Science.gov (United States)

Andra, Syam S.; Austin, Christine; Arora, Manish

2015-01-01

Epidemiological evidence supports associations between prenatal exposure to environmental organic chemicals and childhood health impairments. Unlike the common choice of biological matrices such as urine and blood that can be limited by short half-lives for some chemicals, teeth provide a stable repository for chemicals with half-life in the order of decades. Given the potential of the tooth bio-matrix to study long-term exposures to environmental organic chemicals in human biomonitoring programs, it is important to be aware of possible pitfalls and potential opportunities to improve on the current analytical method for tooth organics analysis. We critically review previous results of studies of this topic. The major drawbacks and challenges in currently practiced concepts and analytical methods in utilizing tooth bio-matrix are (i) no consideration of external (from outer surface) or internal contamination (from micro odontoblast processes), (ii) the misleading assumption that whole ground teeth represent prenatal exposures (latest formed dentine is lipid rich and therefore would absorb and accumulate more organic chemicals), (iii) reverse causality in exposure assessment due to whole ground teeth, and (iv) teeth are a precious bio-matrix and grinding them raises ethical concerns about appropriate use of a very limited resource in exposure biology and epidemiology studies. These can be overcome by addressing the important limitations and possible improvements with the analytical approach associated at each of the following steps (i) tooth sample preparation to retain exposure timing, (ii) organics extraction and pre-concentration to detect ultra-trace levels of analytes, (iii) chromatography separation, (iv) mass spectrometric detection to detect multi-class organics simultaneously, and (v) method validation, especially to exclude chance findings. To highlight the proposed improvements we present findings from a pilot study that utilizes tooth matrix biomarkers to

Trace organic chemicals contamination in ground water recharge.

Science.gov (United States)

Díaz-Cruz, M Silvia; Barceló, Damià

2008-06-01

Population growth and unpredictable climate changes will pose high demands on water resources in the future. Even at present, surface water is certainly not enough to cope with the water requirement for agricultural, industrial, recreational and drinking purposes. In this context, the usage of ground water has become essential, therefore, their quality and quantity has to be carefully managed. Regarding quantity, artificial recharge can guarantee a sustainable level of ground water, whilst the strict quality control of the waters intended for recharge will minimize contamination of both the ground water and aquifer area. However, all water resources in the planet are threatened by multiple sources of contamination coming from the extended use of chemicals worldwide. In this respect, the environmental occurrence of organic micropollutants such as pesticides, pharmaceuticals, industrial chemicals and their metabolites has experienced fast growing interest. In this paper an overview of the priority and emerging organic micropollutants in the different source waters used for artificial aquifer recharge purposes and in the recovered water is presented. Besides, some considerations regarding fate and removal of such compounds are also addressed.

Determination of solute organic concentration in contaminated soils using a chemical-equilibrium soil column system

DEFF Research Database (Denmark)

Gamst, Jesper; Kjeldsen, Peter; Christensen, Thomas Højlund

2007-01-01

using two soils with different content of organic carbon (f(oc) of 1.5 and 6.5%, respectively). A quadruple blind test of the ER-V system using glass beads in stead of soil showed an acceptable recovery (65-85%) of all of the 11 VOCs tested. Only for the most volatile compound (heptane, K-H similar...... to 80) an unacceptable recovery was found (9%). The contact time needed for obtaining chemical equilibrium was tested in the ER-H system by performing five test with different duration (1, 2, 4, 7 and 19 days) using the low organic carbon soil. Seven days of contact time appeared sufficient...... for determination of solute concentration in a contaminated soil were developed; (1) a chemical Equilibrium and Recirculation column test for Volatile organic chemicals (ER-V) and (2) a chemical Equilibrium and Recirculation column test for Hydrophobic organic chemicals (ER-H). The two test systems were evaluated...

On Study of Teaching Reform of Organic Chemistry Course in Applied Chemical Industry Technology

Science.gov (United States)

Zhang, Yunshen

2017-11-01

with the implementation of new curriculum reform, the education sees great changes in teaching methods. Teaching reform is profound in organic chemistry course in applied chemical industry technology. However, many problems which have never been noticed before occur when reform programs are implemented which harm students’ ability for learning and enthusiasm in side face. This paper proposes reform measures like combining theory and practice, improving professional quality, supplementing professional needs and integrating teaching into life after analyzing organic chemistry course teaching in applied chemical industry technology currently, hoping to play a role of reference for organic chemistry course teaching reform in applied chemical industry technology.

Ginzburg-Landau-type theory of nonpolarized spin superconductivity

Science.gov (United States)

Lv, Peng; Bao, Zhi-qiang; Guo, Ai-Min; Xie, X. C.; Sun, Qing-Feng

2017-01-01

Since the concept of spin superconductor was proposed, all the related studies concentrate on the spin-polarized case. Here, we generalize the study to the spin-non-polarized case. The free energy of nonpolarized spin superconductor is obtained, and Ginzburg-Landau-type equations are derived by using the variational method. These Ginzburg-Landau-type equations can be reduced to the spin-polarized case when the spin direction is fixed. Moreover, the expressions of super linear and angular spin currents inside the superconductor are derived. We demonstrate that the electric field induced by the super spin current is equal to the one induced by an equivalent charge obtained from the second Ginzburg-Landau-type equation, which shows self-consistency of our theory. By applying these Ginzburg-Landau-type equations, the effect of electric field on the superconductor is also studied. These results will help us get a better understanding of the spin superconductor and related topics such as the Bose-Einstein condensate of magnons and spin superfluidity.

The Thermodynamics of Anion Complexation to Nonpolar Pockets.

Science.gov (United States)

Sullivan, Matthew R; Yao, Wei; Tang, Du; Ashbaugh, Henry S; Gibb, Bruce C

2018-02-08

The interactions between nonpolar surfaces and polarizable anions lie in a gray area between the hydrophobic and Hofmeister effects. To assess the affinity of these interactions, NMR and ITC were used to probe the thermodynamics of eight anions binding to four different hosts whose pockets each consist primarily of hydrocarbon. Two classes of host were examined: cavitands and cyclodextrins. For all hosts, anion affinity was found to follow the Hofmeister series, with associations ranging from 1.6-5.7 kcal mol -1 . Despite the fact that cavitand hosts 1 and 2 possess intrinsic negative electrostatic fields, it was determined that these more enveloping hosts generally bound anions more strongly. The observation that the four hosts each possess specific anion affinities that cannot be readily explained by their structures, points to the importance of counter cations and the solvation of the "empty" hosts, free guests, and host-guest complexes, in defining the affinity.

Removal of indicator organisms by chemical treatment of wastewater.

Science.gov (United States)

De Zutter, L; van Hoof, J

1981-01-01

Recently a new chemical wastewater treatment process based upon precipitation of proteins by sodium lignosulphonate under acid conditions is used to purify the wastewater from slaughterhouses and poultry processing plants. In order to determine the reduction of indicator organisms due to this treatment process, influent and effluent samples from two of such plants (plant A in a pig slaughterhouse and plant B in a poultry processing plant) were examined. The results demonstrated that the pH used in the process, has a considerable influence on the reduction of the indicator organisms. On the first sampling day in plant A the initial working-pH was 4 and the corresponding reduction of the different microorganisms varied from 0.7 to 1.5 log. According to the decrease of the pH to 2.3, the reduction increased to a minimum of at least 1.9 and a maximum of at least 4.5 log. In the other samples from this plant (working-pH 2.4) the elimination ranged from 1.8 to 4.0 log. In plant B, the removal of the indicator organisms brought about by a working-pH of 3.0 ranged from 2.1 to 3.1 log. The results showed that in comparison with the biological treatment processes this chemical wastewater treatment process realized a significant greater removal of indicator organisms.

Critical thickness for the formation of misfit dislocations originating from prismatic slip in semipolar and nonpolar III-nitride heterostructures

KAUST Repository

Smirnov, A. M.; Young, E. C.; Bougrov, V. E.; Speck, J. S.; Romanov, A. E.

2016-01-01

We calculate the critical thickness for misfit dislocation (MD) formation in lattice mismatched semipolar and nonpolar III-nitride wurtzite semiconductor layers for the case of MDs originated from prismatic slip (PSMDs). It has been shown

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals

DEFF Research Database (Denmark)

Thomas, Paul; Dawick, James; Lampi, Mark

2015-01-01

Toxicological research in the 1930s gave the first indications of the link between narcotic toxicity and the chemical activity of organic chemicals. More recently, chemical activity has been proposed as a novel exposure parameter that describes the fraction of saturation and that quantifies the p...

Visualising the equilibrium distribution and mobility of organic contaminants in soil using the chemical partitioning space.

Science.gov (United States)

Wong, Fiona; Wania, Frank

2011-06-01

Assessing the behaviour of organic chemicals in soil is a complex task as it is governed by the physical chemical properties of the chemicals, the characteristics of the soil as well as the ambient conditions of the environment. The chemical partitioning space, defined by the air-water partition coefficient (K(AW)) and the soil organic carbon-water partition coefficient (K(OC)), was employed to visualize the equilibrium distribution of organic contaminants between the air-filled pores, the pore water and the solid phases of the bulk soil and the relative importance of the three transport processes removing contaminants from soil (evaporation, leaching and particle erosion). The partitioning properties of twenty neutral organic chemicals (i.e. herbicides, pharmaceuticals, polychlorinated biphenyls and volatile chemicals) were estimated using poly-parameter linear free energy relationships and superimposed onto these maps. This allows instantaneous estimation of the equilibrium phase distribution and mobility of neutral organic chemicals in soil. Although there is a link between the major phase and the dominant transport process, such that chemicals found in air-filled pore space are subject to evaporation, those in water-filled pore space undergo leaching and those in the sorbed phase are associated with particle erosion, the partitioning coefficient thresholds for distribution and mobility can often deviate by many orders of magnitude. In particular, even a small fraction of chemical in pore water or pore air allows for evaporation and leaching to dominate over solid phase transport. Multiple maps that represent soils that differ in the amount and type of soil organic matter, water saturation, temperature, depth of surface soil horizon, and mineral matters were evaluated.

Effects of different organic materials and chemical fertilizers on ...

African Journals Online (AJOL)

GREGORY

2010-09-20

Sep 20, 2010 ... 2The Chamber of Agricultural Engineers, Gaziantep, Turkey. Accepted 5 July, 2010. This study was conducted under greenhouse conditions to investigate the effects of applied nutrients such as ... Key words: Organic material, chemical fertilizer, Pistacia vera L., soil ... systematic approach of soil and plant.

On the Chemical Characterization of Organic Matter in Rain at Mexico City.

Science.gov (United States)

Montero-Martinez, G.; Andraca-Ayala, G. L.; Hernández-Nagay, D. P.; Mendoza-Trejo, A.; Rivera-Arellano, J.; Rosado-Abon, A.; Roy, P. D.

2016-12-01

The chemical composition of the aerosol plays a central role in atmospheric processes and has influence on the hydrological cycle. Clouds form through the nucleation of water vapor on certain atmospheric aerosol particles, called cloud condensation nuclei (CCN). Also, precipitating particles scavenge some other aerosol particles on their way to the surface. Atmospheric particles are a mixture of organic and inorganic materials, both soluble and insoluble in water. Aerosol chemical characterization indicates a larger variety of compounds in urban areas respect to other regions. Thus, chemical composition of rainwater may represent an important aspect for estimating atmospheric air pollution. It has been recognized that organic species present in aerosol particles are important in the formation of cloud droplets. Therefore, the information about the organic compounds in precipitation samples may be helpful to understand their effects on the formation of clouds and rain, as well as their sources. Organic acids are ubiquitous components of aerosols and have been identified in precipitation water. In this work, preliminary results of the content of soluble organic (neutral and acidic) matter in rainwater samples collected in Mexico City during 2015 will be presented. The organic compounds content was performed by using an ionic chromatographic methodology with gradient elution; so the total amount was evaluated as the sum of four fractions: neutral/basic, mono-, bi-, and poly-acid compounds. The outcomes suggest that most of the amount of organic substances soluble in water is contained by the neutral/basic and mono-acid fractions. Regarding the total amount of water soluble organic compounds, the rain samples collected in Mexico City are in agreement with some others reported for large urban areas.

studies dielectric behaviour of some long chain alcohols and their mixtures with a non-polar solvent at various concentration

International Nuclear Information System (INIS)

Yaqub, M.; Ahmed, S.S.; Hussain, A.

2006-01-01

Dielectric constant, refractive index and the Kirkwood linear correlation factor of 1-propanol, 1-butanol and 1-pentanol in mixtures with carbon tetrachloride at various concentration have been measured at fixed frequency (100 KHz) at 303.15 K. For the study of dielectric properties of polar molecules in a non-polar solvent at different concentrations, polarization per unit volume and excess free-energy of mixing were evaluated at this temperature. In order to study the association of polar molecules in such a non-polar solvent, the Kirkwood correlation factor (g) between molecular pairs, which exists due to the hydrogen bond association suggesting the presence of some dimension in the liquid phase with a number of dimmers, was determined. The refractive index and dielectric constant measurements are expected to shed some light on the configuration of molecules in various mixtures, and give some idea about the specific interactions between components, which decrese with the increase in the concentration of alcohol. All the three mixtures showed different behaviour for the value of correlation factor (g) as a function of concentration. The response of 1-pentanol was broadly identical to that of small chain alcohols. The different behaviour of the correlation factor (g) was interpreted in terms of the Kirkwood-Frohlich theory, as it takes into account, explicitly, such type of short and long range interactions of a mixture of polar molecules with non-polar solvents. (author)

Chemical reactions in organic monomolecular layers. Condensation of hydrazine on carbonyl functions

International Nuclear Information System (INIS)

Rosilio, Charles; Ruaudel-Teixier, Annie.

1976-01-01

Evidence is given for chemical reactions of hydrazine (NH 2 -NH 2 ) with different carbonyl functional groups of organic molecules in the solid state, in monomolecular layer structures. The condensation of hydrazine with these molecules leads to conjugated systems by bridging the N-N links, to cyclizations, and also to polycondensations. The reactions investigated were followed up by infrared spectrophotometry, by transmission and metallic reflection. These chemical reactions revealed in the solid phase constitute a polycondensation procedure which is valuable in obtaining organized polymers in monomolecular layers [fr

Top value platform chemicals: bio-based production of organic acids.

Science.gov (United States)

Becker, Judith; Lange, Anna; Fabarius, Jonathan; Wittmann, Christoph

2015-12-01

Driven by the quest for sustainability, recent years have seen a tremendous progress in bio-based production routes from renewable raw materials to commercial goods. Particularly, the production of organic acids has crystallized as a competitive and fast-evolving field, related to the broad applicability of organic acids for direct use, as polymer building blocks, and as commodity chemicals. Here, we review recent advances in metabolic engineering and industrial market scenarios with focus on organic acids as top value products from biomass, accessible through fermentation and biotransformation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Review of laboratory-based terrestrial bioaccumulation assessment approaches for organic chemicals: Current status and future possibilities.

Science.gov (United States)

Hoke, Robert; Huggett, Duane; Brasfield, Sandra; Brown, Becky; Embry, Michelle; Fairbrother, Anne; Kivi, Michelle; Paumen, Miriam Leon; Prosser, Ryan; Salvito, Dan; Scroggins, Rick

2016-01-01

In the last decade, interest has been renewed in approaches for the assessment of the bioaccumulation potential of chemicals, principally driven by the need to evaluate large numbers of chemicals as part of new chemical legislation, while reducing vertebrate test organism use called for in animal welfare legislation. This renewed interest has inspired research activities and advances in bioaccumulation science for neutral organic chemicals in aquatic environments. In January 2013, ILSI Health and Environmental Sciences Institute convened experts to identify the state of the science and existing shortcomings in terrestrial bioaccumulation assessment of neutral organic chemicals. Potential modifications to existing laboratory methods were identified, including areas in which new laboratory approaches or test methods could be developed to address terrestrial bioaccumulation. The utility of "non-ecotoxicity" data (e.g., mammalian laboratory data) was also discussed. The highlights of the workshop discussions are presented along with potential modifications in laboratory approaches and new test guidelines that could be used for assessing the bioaccumulation of chemicals in terrestrial organisms. © 2015 SETAC.

Composition of the non-polar extracts and antimicrobial activity of Chorisia insignis HBK. leaves

Directory of Open Access Journals (Sweden)

Salma Ahmed Mahmoud El Sawi

2014-12-01

Full Text Available Objective: To investigate the chemical constituents of the petroleum ether extract and the ether fraction of the 70% ethanol extract of Chorisia insignis HBK. leaves, as well as screen its antimicrobial activity. Methods: Different chromatographic methods were applied to investigate the non-polar extracts and the diffusion assay method was applied to study the antimicrobial activity. Results: A total of 50 compounds from the unsaponifiable matter and 20 fatty acid methyl esters were identified from the petroleum ether extract by GC/MS analysis. n-Hentriacontane, n-tritriacontane, stigmastanol, 3-methoxy-5, 6-dihydrostigmasterol, 7,8-dihydroergosterol, 4-methylcholesterol, cholestanol, multiflorenol, cholest-5-en-3-one, cholest-6-one, 5,6- dihydroergosterol, stigmasterol, dihydroalbigenin and 11-methyl-Δ5,7,9,15,17,23-triacont-hex-ene were isolated from the petroleum ether extract. Methyl heptacosanoate and quinic acid ester of rhamnose were isolated from the ether fraction of the 70% ethanol extract. Antimicrobial activity of the total alcohol extract and the successive fractions showed that the ether and the ethyl acetate fractions have potent antibacterial activity against Bacillus subtilis and Bacillus cereus. Conclusions: The ether and the ethyl acetate fractions could be used in pharmaceutical formulations as antibacterial agents against Bacillus subtilis and Bacillus cereus, and further clinical trials should be performed in order to support the above investigations.

Chemical and toxicologic assessment of organic contaminants in surface water using passive samplers

Science.gov (United States)

Alvarez, D.A.; Cranor, W.L.; Perkins, S.D.; Clark, R.C.; Smith, S.B.

2008-01-01

Passive sampling methodologies were used to conduct a chemical and toxicologic assessment of organic contaminants in the surface waters of three geographically distinct agricultural watersheds. A selection of current-use agrochemicals and persistent organic pollutants, including polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and organochlorine pesticides, were targeted using the polar organic chemical integrative sampler (POCIS) and the semipermeable membrane device passive samplers. In addition to the chemical analysis, the Microtox assay for acute toxicity and the yeast estrogen screen (YES) were conducted as potential assessment tools in combination with the passive samplers. During the spring of 2004, the passive samplers were deployed for 29 to 65 d at Leary Weber Ditch, IN; Morgan Creek, MD; and DR2 Drain, WA. Chemical analysis of the sampler extracts identified the agrochemicals predominantly used in those areas, including atrazine, simazine, acetochlor, and metolachlor. Other chemicals identified included deethylatrazine and deisopropylatrazine, trifluralin, fluoranthene, pyrene, cis- and trans-nonachlor, and pentachloroanisole. Screening using Microtox resulted in no acutely toxic samples. POCIS samples screened by the YES assay failed to elicit a positive estrogenic response. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

15 CFR Supplement No. 1 to Part 715 - Definition of an Unscheduled Discrete Organic Chemical

Science.gov (United States)

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Definition of an Unscheduled Discrete... WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 1 Supplement No. 1 to Part 715—Definition of an Unscheduled Discrete Organic Chemical Unscheduled...

Direct chemical oxidation: a non-thermal technology for the destruction of organic wastes

Energy Technology Data Exchange (ETDEWEB)

Balazs, G.B.; Cooper, J. F.; Lewis, P. R.; Adamson, M. G.

1998-02-01

Direct Chemical Oxidation (DCO) is a non-thermal, ambient pressure, aqueous-based technology for the oxidative destruction of the organic components of hazardous or mixed waste streams. The process has been developed for applications in waste treatment and chemical demilitarization and decontamination at LLNL since 1992, and is applicable to the destruction of virtually all solid or liquid organics, including: chlorosolvents, oils and greases, detergents, organic-contaminated soils or sludges, explosives, chemical and biological warfare agents, and PCB's. [1-15] The process normally operates at 80-100 C, a heating requirement which increases the difficulty of surface decontamination of large objects or, for example, treatment of a wide area contaminated soil site. The driver for DCO work in FY98 was thus to investigate the use of catalysts to demonstrate the effectiveness of the technology for organics destruction at temperatures closer to ambient. In addition, DCO is at a sufficiently mature stage of development that technology transfer to a commercial entity was a logical next step, and was thus included in FY98 tasks.

Temperature influence on chemical toxicity to aquatic organisms

International Nuclear Information System (INIS)

Cairns, J. Jr.; Heath, A.G.; Parker, B.C.

1975-01-01

The literature on the effects of temperature on chemical toxicity to aquatic animals and microorganisms is reviewed. Microbial photosynthesis and respiration is briefly discussed. It is concluded that there is a paucity of information on the inter-relations of temperature and toxicants to algae, bacteria, and protozoa and that standards based on the in situ response of indigenous organisms to specific discharge areas should be developed

Self-Organized Traveling Chemo-Hydrodynamic Fingers Triggered by a Chemical Oscillator.

Science.gov (United States)

Escala, D M; Budroni, M A; Carballido-Landeira, J; De Wit, A; Muñuzuri, A P

2014-02-06

Pulsatile chemo-hydrodynamic patterns due to a coupling between an oscillating chemical reaction and buoyancy-driven hydrodynamic flows can develop when two solutions of separate reactants of the Belousov-Zhabotinsky reaction are put in contact in the gravity field and conditions for chemical oscillations are met in the contact zone. In regular oscillatory conditions, localized periodic changes in the concentration of intermediate species induce pulsatile density gradients, which, in turn, generate traveling convective fingers breaking the transverse symmetry. These patterns are the self-organized result of a genuine coupling between chemical and hydrodynamic modes.

Sorption of nonpolar aromatic contaminants by chlorosilane surface modified natural minerals.

Science.gov (United States)

Huttenloch, P; Roehl, K E; Czurda, K

2001-11-01

The efficacy of the surface modification of natural diatomite and zeolite material by chlorosilanes is demonstrated. Chlorosilanes used were trimethylchlorosilane (TMSCI), tert-butyldimethylchlorosilane (TBDMSCI), dimethyloctadecylchlorosilane (DMODSCI), and diphenyldichlorosilane (DPDSCI) possessing different headgroups and chemical properties. Silanol groups of the diatomite and zeolite were modified by chemical reaction with the chlorosilanes resulting in a stable covalent attachment of the organosilanes to the mineral surface. The alteration of surface properties of the modified material was proved by measurements of water adsorption capacity, total organic carbon (TOC) content, and thermoanalytical data. The surface modified material showed great stability even when exposed to extremes in ionic strength, pH, and to pure organic solvents. Sorption of toluene, o-xylene, and naphthalene from water was greatly enhanced by the surface modification compared to the untreated materials which showed no measurable sorption of these compounds. The enhanced sorption was dependent on the organic carbon content as well as on chemical characteristics of the chlorosilanes used. Batch sorption experiments showed that the phenyl headgroups of DPDSCI have the best affinity for aromatic compounds. Removal from an aqueous solution of 10 mg/L of naphthalene, o-xylene, and toluene was 71%, 60%, and 30% for surface modified diatomite and 51%, 30%, and 16% for modified clinoptilolite, respectively. Sorption data were well described by the Freundlich isotherm equation, which indicated physical adsorption onto the lipophilic surface rather than partitioning into the surface organic phase. The chlorosilane modified materials have an apparent potential for application in environmental technologies such as permeable reactive barriers (PRB) or wastewater treatment.

Breaking the polar-nonpolar division in solvation free energy prediction.

Science.gov (United States)

Wang, Bao; Wang, Chengzhang; Wu, Kedi; Wei, Guo-Wei

2018-02-05

Implicit solvent models divide solvation free energies into polar and nonpolar additive contributions, whereas polar and nonpolar interactions are inseparable and nonadditive. We present a feature functional theory (FFT) framework to break this ad hoc division. The essential ideas of FFT are as follows: (i) representability assumption: there exists a microscopic feature vector that can uniquely characterize and distinguish one molecule from another; (ii) feature-function relationship assumption: the macroscopic features, including solvation free energy, of a molecule is a functional of microscopic feature vectors; and (iii) similarity assumption: molecules with similar microscopic features have similar macroscopic properties, such as solvation free energies. Based on these assumptions, solvation free energy prediction is carried out in the following protocol. First, we construct a molecular microscopic feature vector that is efficient in characterizing the solvation process using quantum mechanics and Poisson-Boltzmann theory. Microscopic feature vectors are combined with macroscopic features, that is, physical observable, to form extended feature vectors. Additionally, we partition a solvation dataset into queries according to molecular compositions. Moreover, for each target molecule, we adopt a machine learning algorithm for its nearest neighbor search, based on the selected microscopic feature vectors. Finally, from the extended feature vectors of obtained nearest neighbors, we construct a functional of solvation free energy, which is employed to predict the solvation free energy of the target molecule. The proposed FFT model has been extensively validated via a large dataset of 668 molecules. The leave-one-out test gives an optimal root-mean-square error (RMSE) of 1.05 kcal/mol. FFT predictions of SAMPL0, SAMPL1, SAMPL2, SAMPL3, and SAMPL4 challenge sets deliver the RMSEs of 0.61, 1.86, 1.64, 0.86, and 1.14 kcal/mol, respectively. Using a test set of 94

PHYSICOCHEMICAL PROPERTIES AS PREDICTORS OF ORGANIC CHEMICAL EFFECTS ON SOIL MICROBIAL RESPIRATION

Science.gov (United States)

Structure-activity analysis was used to evaluate the effects of 19 hazardous organic chemicals on microbial respiration in two slightly acidic soils (a Captina silt loam from Roane County Tennessee, and a McLaurin sandy loam from Stone County, Mississippi), both low in organic ca...

CHEMICAL CLEANING OF NANOFILTRATION MEMBRANES FOULED BY ORGANIC MATTERS

Directory of Open Access Journals (Sweden)

CHARLENE C. H. KOO

2016-07-01

Full Text Available Membrane fouling is a term to describe non-integral substance on membrane surface which results in rapid decline of permeation flux and deteriorate the performance of membrane. Chemical cleaning agents especially like alkaline cleaners are most widely employed to restore the membrane performance. This research mainly investigated the potential use of sodium hydroxide (NaOH and sodium hypochlorite (NaOCl as the chemical cleaning agents to restore the permeate flux of organically fouled nanofiltration (NF membranes under varying applied pressure and flow condition. The performances of the cleaning protocols were quantified using flux recovery and resistance removal. The results demonstrated that NaOCl is more effective than NaOH. This observation is also in line with FTIR analysis in which the transmittance intensity showed by FTIR spectra of NaOCl is higher than that of NaOH. The results also reported that higher flux recovery and resistance removal were achieved when the fouled NF membranes were cleaned with higher concentration of chemical agents and applied pressure. However, the improvements of flux recovery and resistance removal by increasing the applied pressure were found insignificant at higher applied pressure range (16 to 18 bar than the lower applied pressure range (i.e. 12 to 14 bar. This research plays an important role by identifying the key parameters that could restore the flux of organically fouled NF membranes significantly.

Piper gaudichaudianum Kunth: Seasonal Characterization of the Essential Oil Chemical Composition of Leaves and Reproductive Organs

Directory of Open Access Journals (Sweden)

Bianca Schindler

2017-08-01

Full Text Available ABSTRACT This study describes a comparative analysis of the essential oil (EO chemical composition of leaves and reproductive organs (inflorescences and fruits of Piper gaudichaudianum during the seasons of a year in order to determine the best collection time and the most suitable plant organ to obtain this extractive. The chemical composition of EO obtained from fresh leaves was compared to the dried ones, to verify if the drying process interferes in the extractive quality. The leaves were collected from a native population of Santa Maria, RS, Brazil, twice in each season, in triplicate, while inflorescences and fruits were sampled when they were present. The EO was obtained by hydrodistillation of the different plant organs for 3 h. The 20 EO samples were analyzed by gas chromatography (GC coupled to mass spectrometry and GC with flame ionization detector, in triplicate. Hierarchical cluster analysis (HCA and principal components analysis (PCA were performed to verify a possible formation of chemical groups (CG and the cohesion among them. The phenylpropanoid dillapiole was the major constituent of the EO in all seasons and in all plant organs, and myristicin was observed only in reproductive organs. The EO samples of this population were divided into two CG by HCA and PCA, showing the variability in chemical composition between different plant organs, however there was no chemical variability due to seasonality and phenophases. Since the drying of the leaves did not alter the EO chemical composition, this post-harvest procedure can be used without compromising the extrative quality.

Atmospheric emissions and long-range transport of persistent organic chemicals

Directory of Open Access Journals (Sweden)

Scheringer M.

2010-12-01

Full Text Available Persistent organic chemicals include several groups of halogenated compounds, such as polychlorinated biphenyls (PCBs, polybrominated diphenylethers (PBDEs, and polyfluorinated carboxylic acids (PFCAs. These chemicals remain for long times (years to decades in the environment and cycle between different media (air, water, sediment, soil, vegetation, etc.. The environmental distribution of this type of chemicals can conveniently be analyzed by multimedia models. Multimedia models consist of a set of coupled mass balance equations for the environmental media considered; they can be set up at various scales from local to global. Two applications of multimedia models to airborne chemicals are discussed in detail: the day-night cycle of PCBs measured in air near the surface, and the atmospheric long-range transport of volatile precursors of PFCAs, formation of PFCAs by oxidation of these precursors, and subsequent deposition of PFCAs to the surface in remote regions such as the Arctic.

Calibration and use of the polar organic chemical integrative sampler--a critical review.

Science.gov (United States)

Harman, Christopher; Allan, Ian John; Vermeirssen, Etiënne L M

2012-12-01

The implementation of strict environmental quality standards for polar organic priority pollutants poses a challenge for monitoring programs. The polar organic chemical integrative sampler (POCIS) may help to address the challenge of measuring low and fluctuating trace concentrations of such organic contaminants, offering significant advantages over traditional sampling. In the present review, the authors evaluate POCIS calibration methods and factors affecting sampling rates together with reported environmental applications. Over 300 compounds have been shown to accumulate in POCIS, including pesticides, pharmaceuticals, hormones, and industrial chemicals. Polar organic chemical integrative sampler extracts have been used for both chemical and biological analyses. Several different calibration methods have been described, which makes it difficult to directly compare sampling rates. In addition, despite the fact that some attempts to correlate sampling rates with the properties of target compounds such as log K(OW) have been met with varying success, an overall model that can predict uptake is lacking. Furthermore, temperature, water flow rates, salinity, pH, and fouling have all been shown to affect uptake; however, there is currently no robust method available for adjusting for these differences. Overall, POCIS has been applied to a wide range of sampling environments and scenarios and has been proven to be a useful screening tool. However, based on the existing literature, a more mechanistic approach is required to increase understanding and thus improve the quantitative nature of the measurements. Copyright © 2012 SETAC.

Organic Matter Quality and its Influence on Carbon Turnover and Stabilization in Northern Peatlands

Science.gov (United States)

Turetsky, M. R.; Wieder, R. K.

2002-12-01

Peatlands cover 3-5 % of the world's ice-free land area, but store about 33 % of global terrestrial soil carbon. Peat accumulation in northern regions generally is controlled by slow decomposition, which may be limited by cold temperatures and water-logging. Poor organic matter quality also may limit decay, and microbial activity in peatlands likely is regulated by the availability of labile carbon and/or nutrients. Conversely, carbon in recalcitrant soil structures may be chemically protected from microbial decay, particularly in peatlands where carbon can be buried in anaerobic soils. Soil organic matter quality is controlled by plant litter chemical composition and the susceptibility of organic compounds to decomposition through time. There are a number of techniques available for characterizing organic quality, ranging from chemical proximate or elemental analysis to more qualitative methods such as nuclear magenetic resonance, pyrolysis/mass spectroscopy, and Fourier transform infrared spectroscopy. We generally have relied on proximate analysis for quantitative determination of several organic fractions (i.e., water-soluble carbohydrates, soluble nonpolars, water-soluble phenolics, holocellulose, and acid insoluble material). Our approaches to studying organic matter quality in relation to C turnover in peatlands include 1) 14C labelling of peatland vegetation along a latitudinal gradient in North America, allowing us to follow the fate of 14C tracer in belowground organic fractions under varying climates, 2) litter bag studies focusing on the role of individual moss species in litter quality and organic matter decomposition, and 3) laboratory incubations of peat to explore relationships between organic matter quality and decay. These studies suggest that proximate organic fractions vary in lability, but that turnover of organic matter is influenced both by plant species and climate. Across boreal peatlands, measures of soil recalcitrance such as acid

Density and Phase State of a Confined Nonpolar Fluid

Science.gov (United States)

Kienle, Daniel F.; Kuhl, Tonya L.

2016-07-01

Measurements of the mean refractive index of a spherelike nonpolar fluid, octamethytetracylclosiloxane (OMCTS), confined between mica sheets, demonstrate direct and conclusive experimental evidence of the absence of a first-order liquid-to-solid phase transition in the fluid when confined, which has been suggested to occur from previous experimental and simulation results. The results also show that the density remains constant throughout confinement, and that the fluid is incompressible. This, along with the observation of very large increases (many orders of magnitude) in viscosity during confinement from the literature, demonstrate that the molecular motion is limited by the confining wall and not the molecular packing. In addition, the recently developed refractive index profile correction method, which enables the structural perturbation inherent at a solid-liquid interface and that of a liquid in confinement to be determined independently, was used to show that there was no measurable excess or depleted mass of OMCTS near the mica surface in bulk films or confined films of only two molecular layers.

Metal–organic covalent network chemical vapor deposition for gas separation

NARCIS (Netherlands)

Boscher, N.D.; Wang, M.; Perrotta, A.; Heinze, K.; Creatore, A.; Gleason, K.K.

2016-01-01

The chemical vapor deposition (CVD) polymerization of metalloporphyrin building units is demonstrated to provide an easily up-scalable one-step method toward the deposition of a new class of dense and defect-free metal–organic covalent network (MOCN) layers. The resulting hyper-thin and flexible

Contribution of chemical radiation research to the general theory of oxidation of organic substances

International Nuclear Information System (INIS)

Ladygin, B.Ya.; Saraev, V.V.; Revin, A.A.; Zimina, G.M.

1996-01-01

Paper studies mechanisms and main elementary stages of liquid-phase oxidation of organic compounds at thermal and radiation initiation of this reaction. The results of investigations into radiation and chemical conversion of organic compounds at presence of oxygen and without it are discussed on the ground of data obtained by means of pulse radiolysis and EPR-spectroscopy. The bach-Engler theory of slow oxidation of organic compounds with participation of peroxides used as intermediate compounds is shown to be proved essentially and to enjoy further development due to the conducted radiation and chemical investigations. 68 refs., 2 figs., 4 tabs

Synthesis and stabilization of oxide-based colloidal suspensions in organic media: application in the preparation of hybrids organic-inorganic materials for very high laser damage threshold coatings

International Nuclear Information System (INIS)

Marchet, N.

2008-02-01

Multilayer coatings are widely used in optic and particular in the field of high power laser on the components of laser chains. The development of a highly reflective coating with a laser damage resistance requires the fine-tuning of a multilayer stack constituted by a succession alternated by materials with low and high refractive index. In order to limit the number of layers in the stack, refractive indexes must be optimized. To do it, an original approach consists in synthesizing new organic-inorganic hybrid materials satisfying the criteria of laser damage resistance and optimized refractive index. These hybrid materials are constituted by nano-particles of metal oxides synthesized by sol-gel process and dispersed in an organic polymer with high laser damage threshold. Nevertheless, this composite system requires returning both compatible phases between them by chemical grafting of alc-oxy-silanes or carboxylic acids. We showed that it was so possible to disperse in a homogeneous way these functionalized nano-particles in non-polar, aprotic solvent containing solubilized organic polymers, to obtain time-stable nano-composite solutions. From these organic-inorganic hybrid solutions, thin films with optical quality and high laser damage threshold were obtained. These promising results have permitted to realize highly reflective stacks, constituted by 7 pairs with optical properties in agreement with the theoretical models and high laser damage threshold. (author)

Solidification method for organic solution and processing method of aqueous solution

International Nuclear Information System (INIS)

Kamoshida, Mamoru; Fukazawa, Tetsuo; Yazawa, Noriko; Hasegawa, Toshihiko

1998-01-01

The relative dielectric constant of an organic solution containing polar ingredients is controlled to 13 or less to enable its solidification. The polarity of the organic solution can be evaluated quantitatively by using the relative dielectric constant. If the relative dielectric constant is high, it can be controlled by dilution using a non-polar organic solvent of low relative dielectric constant. With such procedures, solidification can be conducted by using an economical 12-hydroxy stearic acid, process of liquid wastes can be facilitated and the safety can be ensured. (T.M.)

Pressure effects on electron reactions and mobility in nonpolar liquids

International Nuclear Information System (INIS)

Holroyd, R.A.; Nishikawa, Masaru

2002-01-01

High pressure studies have elucidated the mechanisms of both electron reactions and electron transport in nonpolar liquids and provided information about the partial molar volumes of ions and electrons. The very large volume changes associated with electron attachment reactions have been explained as due to electrostriction by the ions, calculated with a continuum model, but modified to include the formation of a glassy shell of solvent molecules around the ion. The mobilities of electrons in cases where the electron is trapped can now be understood by comparing the trap cavity volume with the volume of electrostriction of the solvent around the cavity. In cases where the electron is quasi-free the compressibility dependent potential fluctuations are shown to be important. The isothermal compressibility is concluded to be the single most important parameter determining the behavior of excess electrons in liquids

Impact of band structure and transition matrix elements on polarization properties of the photoluminescence of semipolar and nonpolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, L.; Schwarz, U.T. [Department of Microsystems Engineering, University of Freiburg, Georges-Koehler-Allee 103, 79108 Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF), Tullastrasse 72, 79108 Freiburg (Germany); Wernicke, T. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany)

2011-03-15

Partial or full linear polarization is characteristic for the spontaneous emission of light from semipolar and nonpolar InGaN quantum wells. This property is an implication of the crystalline anisotropy as a basic property of the wurtzite structure. The influence of this anisotropy on the band structure and the transition matrix elements was calculated by a k.p-method for arbitrary quantum well orientations with respect to the c-axis; results are shown here in detail. Optical polarization is a direct consequence of a broken symmetry, mainly affecting the transition matrix elements from the conduction to the valence bands. Furthermore, the strain of the InGaN quantum well strongly depends on the crystal orientation of the substrate, resulting in a valence band mixing. The composition of the eigenfunctions has emerged to be most important for the polarization dependence of strained semipolar and nonpolar InGaN QW. The matrix elements, in combination with the thermal occupation of the bands, determine the polarization of the spontaneously emitted light. Our photoluminescence measurements of nonpolar QW match well with this model. However, in contrast to calculations with standard band parameters, the two topmost subbands show a larger separation in the emitted energy. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Algal growth inhibition test results of 425 organic chemical substances

DEFF Research Database (Denmark)

Kusk, Kresten Ole; Christensen, Anne Munch; Nyholm, Niels

2018-01-01

The toxicity towards the algal species Pseudokirchneriella subcapitata of 425 organic chemical substances was tested in a growth inhibition test. Precautions were taken to prevent loss of the compounds from the water phase and the test system (closed test system, low biomass, shorter test duration......, silanized glass) and to keep pH constant by applying a higher alkalinity. Chemical phase distribution was modelled taking ionization, volatilisation, and adsorption to glass and biomass into consideration. If the modelled water concentration was below 90% of the nominal concentration the calculated EC...... values were corrected accordingly. The model helped to identify substances, where the calculated water concentration was too uncertain. Substances covering a wide range of physical-chemical properties and different modes of action were tested. Median effect concentrations (EC50) lower than 1000 mg/L were...

Non-polar InGaN quantum dot emission with crystal-axis oriented linear polarization

Energy Technology Data Exchange (ETDEWEB)

Reid, Benjamin P. L., E-mail: benjamin.reid@physics.ox.ac.uk; Chan, Christopher C. S.; Taylor, Robert A. [Clarendon Laboratory, Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom); Kocher, Claudius [Department of Physics, University of Konstanz, Konstanz 78457 (Germany); Zhu, Tongtong; Oehler, Fabrice; Oliver, Rachel A. [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

2015-04-27

Polarization sensitive photoluminescence is performed on single non-polar InGaN quantum dots. The studied InGaN quantum dots are found to have linearly polarized emission with a common polarization direction defined by the [0001] crystal axis. Around half of ∼40 studied dots have a polarization degree of 1. For those lines with a polarization degree less than 1, we can resolve fine structure splittings between −800 μeV and +800 μeV, with no clear correlation between fine structure splitting and emission energy.

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

Science.gov (United States)

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

2014-10-15

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

Design of an organic-liquid-phase / immobilized-cell reactor for the microbial epoxidation of propene

NARCIS (Netherlands)

Brink, L.E.S.

1986-01-01

Replacement of a considerable part of the traditional, aqueous reaction medium in biotechnology by an organic medium is a promising technique to broaden the scope and range of biotechnological processes. This seems especially to be true for the conversion of non-polar substances. The high capacity

Chemical characterization of agricultural supplies applied to organic tomato cultivation

International Nuclear Information System (INIS)

Martins, T.C.G.; Nadai Fernandes de, E.A.; Ferrari, A.A.; Tagliaferro, F.S.; Bacchi, M.A.

2008-01-01

The agricultural supplies used in the organic system to control pests and diseases as well as to fertilize soil are claimed to be beneficial to plants and innocuous to human health and to the environment. The chemical composition of six agricultural supplies commonly used in the organic tomato culture, was evaluated by instrumental neutron activation analysis (INAA). Results were compared to the maximum limits established by the Environment Control Agency of the S?o Paulo State (CETESB) and the Guidelines for Organic Quality Standard of Instituto Biodinamico (IBD). Concentrations above reference values were found for Co, Cr and Zn in compost, Cr and Zn in cattle manure and Zn in rice bran. (author)

Role of the electronegativity for the interface properties of non-polar heterostructures

KAUST Repository

Nazir, Safdar

2012-04-01

Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2 layers, metallic interface states develop, due to the occupation of the Ti 3d orbitals. For PbTiO 3/SrTiO 3, the Pb 6p states cross the Fermi energy. O vacancy formation energies depend strictly on the electronegativity and the effective volume of the A ion, while the main characteristics of the interface electronic states are maintained. © Europhysics Letters Association, 2012.

Nitrous oxide emission and denitrifier communities in drip-irrigated calcareous soil as affected by chemical and organic fertilizers.

Science.gov (United States)

Tao, Rui; Wakelin, Steven A; Liang, Yongchao; Hu, Baowei; Chu, Guixin

2018-01-15

The effects of consecutive application of chemical fertilizer with or without organic fertilizer on soil N 2 O emissions and denitrifying community structure in a drip-irrigated field were determined. The four fertilizer treatments were (i) unfertilized, (ii) chemical fertilizer, (iii) 60% chemical fertilizer plus cattle manure, and (iv) 60% chemical fertilizer plus biofertilizer. The treatments with organic amendments (i.e. cattle manure and biofertilizer) reduced cumulative N 2 O emissions by 4.9-9.9%, reduced the N 2 O emission factor by 1.3-42%, and increased denitrifying enzyme activities by 14.3-56.2%. The nirK gene copy numbers were greatest in soil which received only chemical fertilizer. In contrast, nirS- and nosZ-copy numbers were greatest in soil amended with chemical fertilizer plus biofertilizer. Chemical fertilizer application with or without organic fertilizer significantly changed the community structure of nirK-type denitrifiers relative to the unfertilized soil. In comparison, the nirS- and nosZ-type denitrifier genotypes varied in treatments receiving organic fertilizer but not chemical fertilizer alone. The changes in the denitrifier communities were closely associated with soil organic carbon (SOC), NO 3 - , NH 4 + , water holding capacity, and soil pH. Modeling indicated that N 2 O emissions in this soil were primarily associated with the abundance of nirS type denitrifying bacteria, SOC, and NO 3 - . Overall, our findings indicate that (i) the organic fertilizers increased denitrifying enzyme activity, increased denitrifying-bacteria gene copy numbers, but reduced N 2 O emissions, and (ii) nirS- and nosZ-type denitrifiers were more sensitive than nirK-type denitrifiers to the organic fertilizers. Copyright © 2017. Published by Elsevier B.V.

Radioactivity in chemical and organic fertilizer used in Egypt

International Nuclear Information System (INIS)

Abbady, A.G.E.; Yousef, A.M.M.; Abbady, A.; El-Taher, A.

2005-01-01

The Egypt Chemical factories (ECF); such as Talkha, Sues, Abo Qeyer, Kafer Elzayat, and Assuit factories, produces and markets a range of phosphate based fertilizers, including Simple Super Phosphate (SSP) fertilizer, Triple Super Phosphate (TSP) fertilizer and Urea. Phosphate fertilizers produced by ECF are derived from phosphate ore. In addition to phosphate minerals, these ores can contain significant amounts of a wide range of impurities, including heavy metals and naturally occurring radionuclides. This study was carried out to determine the content of radionuclides in fertilizer products produced by ECF and some organic fertilizer (animal manure) includes cow, sheep and chicken fertilizer. In both samples (Chemical and organic fertilizers), the activity concentrations of Ra 2 26 are higher than those Th 2 32. The radioactivity of 226 R a in chemical fertilizers ranged from 21.6 ± 3.6 to 111.2 ± 8.9 Bq kg-1, phosphate fertilizers TSP contained high contents of 226 R a. The average radioactivity of 226 R a in TSP was 79.3 ± 7.4 Bq kg-1, in SSP 51.2 ± 5 Bq kg-1, and in Urea 35.1± 3.5 Bq kg-1. The activity of 232 T h in the different fertilizers ranged from 1.3 ± 1.1 to 9.9 ± 3.2 Bq kg-1,the highest activity observed in SSP fertilizer. The activity of 40 K was found to be great in the TSP fertilizer, which contained a mean activity 478.1± 21.3 Bq kg-1. With respect to organic fertilizers the average radioactivity of 226 R a, 232 T h and 40 K are 40 ± 1.6 Bq kg-1, 3.1± 1.2 and 427.1± 20 Bq kg-1. The data are discussed and compared with those given in the literatures. This study could be useful as baseline data for radiation exposure to fertilizers, and their impact on human health

Chemical ageing and transformation of diffusivity in semi-solid multi-component organic aerosol particles

Science.gov (United States)

Pfrang, C.; Shiraiwa, M.; Pöschl, U.

2011-07-01

Recent experimental evidence underlines the importance of reduced diffusivity in amorphous semi-solid or glassy atmospheric aerosols. This paper investigates the impact of diffusivity on the ageing of multi-component reactive organic particles approximating atmospheric cooking aerosols. We apply and extend the recently developed KM-SUB model in a study of a 12-component mixture containing oleic and palmitoleic acids. We demonstrate that changes in the diffusivity may explain the evolution of chemical loss rates in ageing semi-solid particles, and we resolve surface and bulk processes under transient reaction conditions considering diffusivities altered by oligomerisation. This new model treatment allows prediction of the ageing of mixed organic multi-component aerosols over atmospherically relevant timescales and conditions. We illustrate the impact of changing diffusivity on the chemical half-life of reactive components in semi-solid particles, and we demonstrate how solidification and crust formation at the particle surface can affect the chemical transformation of organic aerosols.

Chemical ageing and transformation of diffusivity in semi-solid multi-component organic aerosol particles

Directory of Open Access Journals (Sweden)

C. Pfrang

2011-07-01

Full Text Available Recent experimental evidence underlines the importance of reduced diffusivity in amorphous semi-solid or glassy atmospheric aerosols. This paper investigates the impact of diffusivity on the ageing of multi-component reactive organic particles approximating atmospheric cooking aerosols. We apply and extend the recently developed KM-SUB model in a study of a 12-component mixture containing oleic and palmitoleic acids. We demonstrate that changes in the diffusivity may explain the evolution of chemical loss rates in ageing semi-solid particles, and we resolve surface and bulk processes under transient reaction conditions considering diffusivities altered by oligomerisation. This new model treatment allows prediction of the ageing of mixed organic multi-component aerosols over atmospherically relevant timescales and conditions. We illustrate the impact of changing diffusivity on the chemical half-life of reactive components in semi-solid particles, and we demonstrate how solidification and crust formation at the particle surface can affect the chemical transformation of organic aerosols.

Characterization of Organic Nitrate Formation in Limonene Secondary Organic Aerosol using High-Resolution Chemical Ionization Mass Spectrometry

Science.gov (United States)

Faxon, Cameron; Hammes, Julia; Peng, Jianfei; Hallquist, Mattias; Pathak, Ravi

2016-04-01

Previous work has shown that organic nitrates (RONO2) are prevalent in the boundary layer, and can contribute significantly to secondary organic aerosol formation. Monoterpenes, including limonene, have been shown to be precursors for the formation of these organic nitrates. Limonene has two double bonds, either of which may be oxidized by NO3 or O3. This leads to the generation of products that can subsequently condense or partition into the particle phase, producing secondary organic aerosol. In order to further elucidate the particle and gas phase product distribution of organic nitrates forming from the reactions of limonene and the nitrate radical (NO3), a series of experiments were performed in the Gothenburg Flow Reactor for Oxidation Studies at Low Temperatures (G-FROST), described by previous work. N2O5 was used as the source for NO3 and NO2, and a characterized diffusion source was used to introduce limonene into the flow reactor. All experiments were conducted in the absence of light, and the concentration of limonene was increased step-wise throughout each experiment to modify the ratio of N2O5to limonene. The experiments were conducted such that both limonene- and N2O5-limited regimes were present. Gas and particle phase products were measured using an iodide High-Resolution Time-of-Flight Mass Spectrometer (HR-ToF-CIMS) coupled to a Filter Inlet for Gases and AEROsols (FIGAERO, and particle size and SOA mass concentrations were derived using a Scanning Mobility Particle Sizer (SMPS). CIMS measurement techniques have previously been employed for the measurement of organic nitrate products of such compounds using multiple reagent ions. The use of this instrumentation allowed for the identification of chemical formulas for gas and particle phase species. The findings from the experiments will be presented in terms of the relative gas-particle partitioning of major products and the effects of N2O5/limonene ratios on product distributions. Additionally, a

From consumption to harvest: Environmental fate prediction of excreted ionizable trace organic chemicals

DEFF Research Database (Denmark)

Polesel, Fabio; Plósz, Benedek G.; Trapp, Stefan

2015-01-01

Excreted trace organic chemicals, e.g., pharmaceuticals and biocides, typically undergo incomplete elimination in municipal wastewater treatment plants (WWTPs) and are released to surface water via treated effluents and to agricultural soils through sludge amendment and/or irrigation with freshwa......Excreted trace organic chemicals, e.g., pharmaceuticals and biocides, typically undergo incomplete elimination in municipal wastewater treatment plants (WWTPs) and are released to surface water via treated effluents and to agricultural soils through sludge amendment and/or irrigation...... with freshwater or reclaimed wastewater. Recent research has shown the tendency for these substances to accumulate in food crops. In this study, we developed and applied a simulation tool to predict the fate of three ionizable trace chemicals (triclosan-TCS, furosemide-FUR, ciprofloxacin-CIP) from human...... and a recently developed dynamic soil-plant uptake model. The simulation tool was tested using country-specific (e.g., consumption/emission rates, precipitation and temperature) input data. A Monte Carlo-based approach was adopted to account for the uncertainty associated to physico-chemical and biokinetic model...

Interfacial behavior of polar, weakly polar, and nonpolar compounds bound to activated carbons.

Science.gov (United States)

Gun'ko, V M; Turov, V V; Zarko, V I; Goncharuk, O V; Nychiporuk, Yu M; Kozynchenko, O P; Skubiszewska-Zięba, J; Leboda, R; Charmas, B; Balakin, D Yu; Ptushinskii, Yu G

2013-08-15

Detailed analysis of the interfacial behavior of water and weakly polar or nonpolar organics adsorbed alone or co-adsorbed onto activated carbons (AC) at different temperatures is a complex problem important for practical applications of adsorbents. Interaction of water, 1-decanol, and n-decane with AC possessing highly developed porosity (pore volume Vp≈1.4-2.3 cm(3)/g, specific surface area S(BET)≈1500-3500 m(2)/g) was studied over a broad temperature range using differential scanning calorimetry (DSC), thermoporometry, (1)H NMR spectroscopy, cryoporometry, and temperature-programmed desorption with mass-spectrometry control methods. Comparison of the pore size distributions (PSD) calculated using the DSC thermoporometry, NMR cryoporometry, and nitrogen adsorption isotherms allows us to determine localization of adsorbates in different pores, as well as changes in the PSD of AC due to freezing of adsorbates in pores. Theoretical calculations (using ab initio HF/6-31G(d,p), DFT B3LYP/6-31G(d,p), and PM7 methods) explain certain aspects of the interfacial behavior of water, decane, and decanol adsorbed onto AC that appear in the experimental data. Obtained results show strong temperature dependence (above and below the freezing point, Tf, of bulk liquids) of the interfacial behavior of adsorbates on the textural characteristics and hydrophilic/hydrophobic properties of AC and the adsorbate amounts that affect the distributions of adsorbates unfrozen at T

Organic-Chemical Clues to the Theory of Impacts as a Cause of Mass Extinctions

Science.gov (United States)

Sack, N. J.

1988-11-01

The reasons for the mass extinctions, which occur from time to time in Earth's history-as, e.g., the dinosaur extinction at the Cretaceous/Tertiary boundary 65 myr ago - are still not satisfactorily cleared up. A possible reason might be the impact of one or several comets of several kilometers in diameter. In this paper the astrophysical background of this hypothesis and organic-chemical processes during an impact will be discussed. Quantitative estimations are given, which show that the amount of organic substances brought to the Earth may be of the same order of magnitude as the normal biological production of organic material. Investigations are proposed to examine the organic-chemical composition of profiles of the Cretaceous/Tertiary boundary and other boundaries, at which mass extinction had occurred, in order to find anomalies as consequences of impacts.

Creation of High Mobility Two-Dimensional Electron Gases via Strain Induced Polarization at an Otherwise Nonpolar Complex Oxide Interface

DEFF Research Database (Denmark)

Chen, Yunzhong; Trier, Felix; Kasama, Takeshi

2015-01-01

The discovery of two-dimensional electron gases (2DEGs) in SrTiO3-based heterostructures provides new opportunities for nanoelectronics. Herein, we create a new type of oxide 2DEG by the epitaxial-strain-induced polarization at an otherwise nonpolar perovskite-type interface of CaZrO3/SrTiO3. Rem...

Controlled assembly of organic whispering-gallery-mode microlasers as highly sensitive chemical vapor sensors.

Science.gov (United States)

Gao, Miaomiao; Wei, Cong; Lin, Xianqing; Liu, Yuan; Hu, Fengqin; Zhao, Yong Sheng

2017-03-09

We demonstrate the fabrication of organic high Q active whispering-gallery-mode (WGM) resonators from π-conjugated polymer by a controlled emulsion-solvent-evaporation method, which can simultaneously provide optical gain and act as an effective resonant cavity. By measuring the shift of their lasing modes on exposure to organic vapor, we successfully monitored the slight concentration variation in the chemical gas. These microlaser sensors demonstrated high detection sensitivity and good signal repeatability under continuous chemical gas treatments. The results offer an effective strategy to design miniaturized optical sensors.

Ultrafast, superhigh gain visible-blind UV detector and optical logic gates based on nonpolar a-axial GaN nanowire

Science.gov (United States)

Wang, Xingfu; Zhang, Yong; Chen, Xinman; He, Miao; Liu, Chao; Yin, Yian; Zou, Xianshao; Li, Shuti

2014-09-01

Nonpolar a-axial GaN nanowire (NW) was first used to construct the MSM (metal-semiconductor-metal) symmetrical Schottky contact device for application as visible-blind ultraviolet (UV) detector. Without any surface or composition modifications, the fabricated device demonstrated a superior performance through a combination of its high sensitivity (up to 104 A W-1) and EQE value (up to 105), as well as ultrafast (memory storage.Nonpolar a-axial GaN nanowire (NW) was first used to construct the MSM (metal-semiconductor-metal) symmetrical Schottky contact device for application as visible-blind ultraviolet (UV) detector. Without any surface or composition modifications, the fabricated device demonstrated a superior performance through a combination of its high sensitivity (up to 104 A W-1) and EQE value (up to 105), as well as ultrafast (memory storage. Electronic supplementary information (ESI) available: Details of the EDS and SAED data, supplementary results of the UV detector, and the discussion of the transport properties of the MSM Schottky contact devices. See DOI: 10.1039/c4nr03581j

Effects of organic versus conventional management on chemical and biological parameters in agricultural soils

NARCIS (Netherlands)

Diepeningen, van A.D.; Vos, de O.J.; Korthals, G.W.; Bruggen, van A.H.C.

2006-01-01

A comparative study of organic and conventional arable farming systems was conducted in The Netherlands to determine the effect of management practices on chemical and biological soil properties and soil health. Soils from thirteen accredited organic farms and conventionally managed neighboring

Polymeric Sorbent with Controlled Surface Polarity: An Alternate for Solid-Phase Extraction of Nerve Agents and Their Markers from Organic Matrix.

Science.gov (United States)

Roy, Kanchan Sinha; Purohit, Ajay Kumar; Chandra, Buddhadeb; Goud, D Raghavender; Pardasani, Deepak; Dubey, Devendra Kumar

2018-06-05

Extraction and identification of lethal nerve agents and their markers in complex organic background have a prime importance from the forensic and verification viewpoint of the Chemical Weapons Convention (CWC). Liquid-liquid extraction with acetonitrile and commercially available solid phase silica cartridges are extensively used for this purpose. Silica cartridges exhibit limited applicability for relatively polar analytes, and acetonitrile extraction shows limited efficacy toward relatively nonpolar analytes. The present study describes the synthesis of polymeric sorbents with tunable surface polarity, their application as a solid-phase extraction (SPE) material against nerve agents and their polar as well as nonpolar markers from nonpolar organic matrices. In comparison with the acetonitrile extraction and commercial silica cartridges, the new sorbent showed better extraction efficiency toward analytes of varying polarity. The extraction parameters were optimized for the proposed method, which included ethyl acetate as an extraction solvent and n-hexane as a washing solvent. Under optimized conditions, method linearity ranged from 0.10 to 10 μg mL -1 ( r 2 = 0.9327-0.9988) for organophosphorus esters and 0.05-20 μg mL -1 ( r 2 = 0.9976-0.9991) for nerve agents. Limits of detection (S:N = 3:1) in the SIM mode were found in the range of 0.03-0.075 μg mL -1 for organophosphorus esters and 0.015-0.025 μg mL -1 for nerve agents. Limits of quantification (S:N = 10:1) were found in the range of 0.100-0.25 μg mL -1 for organophosphorus esters and 0.05-0.100 μg mL -1 for nerve agents in the SIM mode. The recoveries of the nerve agents and their markers ranged from 90.0 to 98.0% and 75.0 to 95.0% respectively. The repeatability and reproducibility (with relative standard deviations (RSDs) %) for organophosphorus esters were found in the range of 1.35-8.61% and 2.30-9.25% respectively. For nerve agents, the repeatability range from 1.00 to 7.75% and reproducibility

Selective Extraction of Organic Contaminants from Soil Using Pressurised Liquid Extraction

Directory of Open Access Journals (Sweden)

Rozita Osman

2013-01-01

Full Text Available This study focuses on the application of sorbents in pressurised liquid extraction (PLE cell to establish a selective extraction of a variety of organic contaminants (polycyclic aromatic hydrocarbons (PAHs, chlorpyrifos, phenol, pentachlorophenol, and sterols from soil. The selectivity and efficiency of each sorbent depend on the properties of the material, extracting solvent, capacity factor, organic compounds of interest, and PLE operating parameters (temperature, pressure, and extraction time. Several sorbents (silica, alumina, and Florisil were evaluated and with the proper choice of solvents, polar and nonpolar compounds were successfully separated in two fractions. Nonpolar compounds (PAHs, chlorpyrifos, and pentachlorophenol were recovered in the first fraction using a polar sorbent such as Florisil or alumina, and n-hexane as eluting solvent, while more polar compounds (phenol and sterols were recovered in the second fraction using methanol. Silica (5 g was found to be effective for selective extraction with the satisfactory recoveries for all compounds (PAHs from 87.1–96.2%, chlorpyrifos 102.9%, sterols from 93.7–100.5%, phenol 91.9%, and pentachlorophenol 106.2%. The efficiency and precision of this extraction approach and the existing EPA Method 3545 were compared.

CHANGES IN SOIL CHEMICAL PROPERTIES OF ORGANIC PADDY FIELD WITH AZOLLA APPLICATION

Directory of Open Access Journals (Sweden)

Jauhari Syamsiyah

2016-12-01

Full Text Available The use of organic fertilizer is a way to improve soil fertility. Azolla can be used as organic fertilizer. This study aims to determine the effect of Azolla (Azolla mycrophylla. L on some soil chemical properties on organic paddy field. The field experiments used factorial complete randomized block design of three factors, namely Azolla (0 and 2 tons/ha, Manure (0 and 10 tons/ha and Rice Varieties (Mira1, Mentik Wangi and Merah Putih, with three times replication. Using Azolla on an organic paddy field does not significantly increase the levels of soil N, organic C, Cation Exchange Capacity and soil pH. However Azolla’s influence on soil available P is significant.

The chemical structure of the insoluble organic matter from carbonaceous meteorites

Science.gov (United States)

Derenne, S.; Robert, F.

2008-09-01

Carbonaceous chondrites are the most primitive objects of the solar system. They contain substantial amounts of carbon (up to 3%), mostly occurring in macromolecular insoluble organic matter (IOM). This IOM is generally considered as a record of interstellar synthesis and may contain precursors of prebiotic molecules possibly deposited on earth by meteoritic bombardments. For these reasons, chondritic IOM has been raising interest for long and it is therefore of special interest to decipher its chemical structure. It is now well established that the chemical structure of this macromolecular material is based on aromatic moieties linked by short aliphatic chains and comprising substantial amounts of heteroatoms. However, its precise chemical structure could only be recently specified. The aim of this presentation is to propose a molecular model for the chemical structure of IOM isolated from non-metamorphosed carbonaceous chondrites. This model is derived from a large set of data obtained through a combination of techniques including various spectrocopies, high resolution transmission electron microscopy (HRTEM) and chemical and thermal degradations. Cosmochemical implications of such a structure will also be discussed.

Volatile chemical products emerging as largest petrochemical source of urban organic emissions

Science.gov (United States)

McDonald, Brian C.; de Gouw, Joost A.; Gilman, Jessica B.; Jathar, Shantanu H.; Akherati, Ali; Cappa, Christopher D.; Jimenez, Jose L.; Lee-Taylor, Julia; Hayes, Patrick L.; McKeen, Stuart A.; Cui, Yu Yan; Kim, Si-Wan; Gentner, Drew R.; Isaacman-VanWertz, Gabriel; Goldstein, Allen H.; Harley, Robert A.; Frost, Gregory J.; Roberts, James M.; Ryerson, Thomas B.; Trainer, Michael

2018-02-01

A gap in emission inventories of urban volatile organic compound (VOC) sources, which contribute to regional ozone and aerosol burdens, has increased as transportation emissions in the United States and Europe have declined rapidly. A detailed mass balance demonstrates that the use of volatile chemical products (VCPs)—including pesticides, coatings, printing inks, adhesives, cleaning agents, and personal care products—now constitutes half of fossil fuel VOC emissions in industrialized cities. The high fraction of VCP emissions is consistent with observed urban outdoor and indoor air measurements. We show that human exposure to carbonaceous aerosols of fossil origin is transitioning away from transportation-related sources and toward VCPs. Existing U.S. regulations on VCPs emphasize mitigating ozone and air toxics, but they currently exempt many chemicals that lead to secondary organic aerosols.

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Organic substances and pharmaceuticals engineering. Petrochemistry and chemical processing of alternative feedstock

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning organic substances and pharmaceuticals engineering, petrochemistry and chemical processing of alternative feedstock. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Chemical attributes, total organic carbon stock and humified fractions of organic matter soil submitted to different systems of sugarcane management

Directory of Open Access Journals (Sweden)

Jean Sérgio Rosset

2014-10-01

Full Text Available Mechanized harvesting maintenance of trash from cane sugar and soil application of waste as vinasse and filter cake can improve the system of crop yield. Thus, this study aimed to evaluate the changes in the chemical, the stock of total organic carbon and humified organic matter fractions in an Oxisol cultivated with cane sugar with the following management systems: with sugarcane vinasse application (CCV, without application of burnt cane waste (CQS, with burnt cane vinasse application (CQV, with application of burnt cane filter cake (CQTF and burnt cane with joint application of vinasse and filter cake (CQVTF. For reference we used an area of natural vegetation (NV, Cerrado sensu stricto. Treatment CQVTF showed improvement in soil chemical properties, increased inventory levels of total organic carbon – TOC (values ranging from 21.28 to 40.02 Mg ha-1 and humified fractions of soil organic matter in relation to other treatments. The CQS area at a depth of 0-0.05 m, showed the greatest losses of soil TOC stocks (56.3% compared to NV. The adoption of management presented CCV and chemical attributes of the soil TOC stocks equivalent to those observed in areas with CQV CQTF and despite the short period of adoption (3 years. The TOC correlated with the sum of bases (r = 0.76 **, cation exchange capacity (r = 0.59 ** and base saturation (r = 0.63 **, while the humic acids (r = 0.40 ** fulvic acids (r = 0.49 ** and humin (r = 0.59 ** correlated with the cation exchange capacity of the soil. These results indicate that the preservation of trash in the management of cane sugar added to the application of vinasse and filter cake increases the TOC stocks promoting improvement in soil chemical properties.

Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces

Science.gov (United States)

Otero, R.; Vázquez de Parga, A. L.; Gallego, J. M.

2017-07-01

During the last decade, interest on the growth and self-assembly of organic molecular species on solid surfaces spread over the scientific community, largely motivated by the promise of cheap, flexible and tunable organic electronic and optoelectronic devices. These efforts lead to important advances in our understanding of the nature and strength of the non-bonding intermolecular interactions that control the assembly of the organic building blocks on solid surfaces, which have been recently reviewed in a number of excellent papers. To a large extent, such studies were possible because of a smart choice of model substrate-adsorbate systems where the molecule-substrate interactions were purposefully kept low, so that most of the observed supramolecular structures could be understood simply by considering intermolecular interactions, keeping the role of the surface always relatively small (although not completely negligible). On the other hand, the systems which are more relevant for the development of organic electronic devices include molecular species which are electron donors, acceptors or blends of donors and acceptors. Adsorption of such organic species on solid surfaces is bound to be accompanied by charge-transfer processes between the substrate and the adsorbates, and the physical and chemical properties of the molecules cannot be expected any longer to be the same as in solution phase. In recent years, a number of groups around the world have started tackling the problem of the adsorption, self- assembly and electronic and chemical properties of organic species which interact rather strongly with the surface, and for which charge-transfer must be considered. The picture that is emerging shows that charge transfer can lead to a plethora of new phenomena, from the development of delocalized band-like electron states at molecular overlayers, to the existence of new substrate-mediated intermolecular interactions or the strong modification of the chemical

Photochemistry of limonene secondary organic aerosol studied with chemical ionization mass spectrometry

Science.gov (United States)

Pan, Xiang

Limonene is one of the most abundant monoterpenes in the atmosphere. Limonene easily reacts with gas-phase oxidants in air such as NO3, ozone and OH. Secondary organic aerosol (SOA) is formed when low vapor pressure products condense into particles. Chemicals in SOA particles can undergo further reactions with oxidants and with solar radiation that significantly change SOA composition over the course of several days. The goal of this work was to characterize radiation induced reaction in SOA. To perform experiments, we have designed and constructed an Atmospheric Pressure Chemical Ionization Mass Spectrometer (APCIMS) coupled to a photochemical cell containing SOA samples. In APCIMS, (H2O)nH 3O+ clusters are generated in a 63Ni source and react with gaseous organic analytes. Most organic chemicals are not fragmented by the ionization process. We have focused our attention on limonene SOA prepared in two different ways. The first type of SOA is produced by oxidation of limonene by ozone; and the second type of SOA is formed by the NO3-induced oxidation of limonene. They model the SOA formed under daytime and nighttime conditions, respectively. Ozone initiated oxidation is the most important chemical sink for limonene both indoors, where it is used for cleaning purposes, and outdoors. Terpenes are primarily oxidized by reactions with NO3 at night time. We generated limonene SOA under different ozone and limonene concentrations. The resulting SOA samples were exposed to wavelength-tunable radiation in the UV-Visible range between 270 nm and 630 nm. The results show that the photodegradation rates strongly depend on radiation wavelengths. Gas phase photodegradation products such as acetone, formaldehyde, acetaldehyde, and acetic acid were shown to have different production rates for SOA formed in different concentration conditions. Even for SOA prepared under the lowest concentrations, the SOA photodegradation was efficient. The conclusion is that exposure of SOA to

Screening organic chemicals in commerce for emissions in the context of environmental and human exposure.

Science.gov (United States)

Breivik, Knut; Arnot, Jon A; Brown, Trevor N; McLachlan, Michael S; Wania, Frank

2012-08-01

Quantitative knowledge of organic chemical release into the environment is essential to understand and predict human exposure as well as to develop rational control strategies for any substances of concern. While significant efforts have been invested to characterize and screen organic chemicals for hazardous properties, relatively less effort has been directed toward estimating emissions and hence also risks. Here, a rapid throughput method to estimate emissions of discrete organic chemicals in commerce has been developed, applied and evaluated to support screening studies aimed at ranking and identifying chemicals of potential concern. The method builds upon information in the European Union Technical Guidance Document and utilizes information on quantities in commerce (production and/or import rates), chemical function (use patterns) and physical-chemical properties to estimate emissions to air, soil and water within the OECD for five stages of the chemical life-cycle. The method is applied to 16,029 discrete substances (identified by CAS numbers) from five national and international high production volume lists. As access to consistent input data remains fragmented or even impossible, particular attention is given to estimating, evaluating and discussing uncertainties in the resulting emission scenarios. The uncertainty for individual substances typically spans 3 to 4 orders of magnitude for this initial tier screening method. Information on uncertainties in emissions is useful as any screening or categorization methods which solely rely on threshold values are at risk of leading to a significant number of either false positives or false negatives. A limited evaluation of the screening method's estimates for a sub-set of about 100 substances, compared against independent and more detailed emission scenarios presented in various European Risk Assessment Reports, highlights that up-to-date and accurate information on quantities in commerce as well as a detailed

Prediction of Hydrolysis Products of Organic Chemicals under Environmental pH Conditions

Science.gov (United States)

Cheminformatics-based software tools can predict the molecular structure of transformation products using a library of transformation reaction schemes. This paper presents the development of such a library for abiotic hydrolysis of organic chemicals under environmentally relevant...

Organic phosphorus fractionation in wetland soil profiles by chemical extraction and phosphorus-31 nuclear magnetic resonance spectroscopy

International Nuclear Information System (INIS)

Li, Min; Zhang, Jing; Wang, Guangqian; Yang, Haijun; Whelan, Michael J.; White, Sue M.

2013-01-01

Highlights: ► Chemical sequential extraction and 31 P NMR spectroscopy were used for organic P analysis. ► Organic P includes orthophosphate, monoester and diester phosphate and pyrophosphate. ► Highly resistant organic P and monoester phosphate were the dominant organic P. ► HCl pretreatment can remove most inorganic P and increase organic P recovery rate. ► A comprehensive organic P chemical sequential fractionation approach was proposed. - Abstract: Organic P (OP) plays an important role in soil P cycling and is a potential P source for wetland plants. In this study, a modified chemical sequential fractionation method and 31 P nuclear magnetic resonance spectroscopy ( 31 P NMR) of NaOH–EDTA extracts were used to examine the distribution of organic P fractions and compounds in soil profiles of the Beijing Yeyahu Wetland, China. The influence of acid treatment prior to NaOH–EDTA extraction on 31 P NMR spectra was also investigated. Results show that highly resistant OP was the major class of organic P. The rank order of organic P fractions was highly resistant OP (on average accounting for 68.5% of total OP) > moderately resistant OP (15.8%m of total OP) > moderately labile OP (11.4% of total OP) > labile OP (4.3% of total OP). Most of the organic P fractions decreased with soil depth due to the accumulation of plant residues in surface soils and the deposition and diagenesis of soils. Moderately (r = 0.586, p < 0.01) and highly (r = 0.741, p < 0.01) resistant OP fractions were positively correlated with soil organic matter. Phosphorus compounds including orthophosphate (23–74.6% of total P in spectra), monoester phosphate (18.6–76%), diester phosphate (nil-7.8%) and pyrophosphate (nil-6.7%) were characterized using 31 P NMR. Monoester-P was the dominant soil organic P compound identified. The proportion of monoester-P increased significantly in NaOH–EDTA extracts with HCl pretreatment and it was confirmed by chemical analysis. Therefore, it

Molecularly Imprinted Polymer/Metal Organic Framework Based Chemical Sensors

Directory of Open Access Journals (Sweden)

Zhenzhong Guo

2016-10-01

Full Text Available The present review describes recent advances in the concept of molecular imprinting using metal organic frameworks (MOF for development of chemical sensors. Two main strategies regarding the fabrication, performance and applications of recent sensors based on molecularly imprinted polymers associated with MOF are presented: molecularly imprinted MOF films and molecularly imprinted core-shell nanoparticles using MOF as core. The associated transduction modes are also discussed. A brief conclusion and future expectations are described herein.

Equilibrium structures and flows of polar and nonpolar liquids in different carbon nanotubes

Science.gov (United States)

Abramyan, Andrey K.; Bessonov, Nick M.; Mirantsev, Leonid V.; Chevrychkina, Anastasiia A.

2018-03-01

Molecular dynamics (MD) simulations of equilibrium structures and flows of polar water and nonpolar methane confined by single-walled carbon nanotubes (SWCNTs) with circular and square cross sections and bounding walls with regular graphene structure and random (amorphous) distribution of carbon atoms have been performed. The results of these simulations show that equilibrium structures of both confined liquids depend strongly on the shape of the cross section of SWCNTs, whereas the structure of their bounding walls has a minor influence on these structures. On contrary, the external pressure driven water and methane flows through above mentioned SWCNTs depend significantly on both the shape of their cross sections and the structure of their bounding walls.

Micro- and Nanostructured Metal Oxide Chemical Sensors for Volatile Organic Compounds

Science.gov (United States)

Alim, M. A.; Penn, B. G.; Currie, J. R., Jr.; Batra, A. K.; Aggarwal, M. D.

2008-01-01

Aeronautic and space applications warrant the development of chemical sensors which operate in a variety of environments. This technical memorandum incorporates various kinds of chemical sensors and ways to improve their performance. The results of exploratory investigation of the binary composite polycrystalline thick-films such as SnO2-WO3, SnO2-In2O3, SnO2-ZnO for the detection of volatile organic compound (isopropanol) are reported. A short review of the present status of the new types of nanostructured sensors such as nanobelts, nanorods, nanotube, etc. based on metal oxides is presented.

The organization for the prohibition of chemical weapons and the IAEA: A comparative overview

International Nuclear Information System (INIS)

Dorn, A.W.; Rolya, A.

1993-01-01

The long-awaited Chemical Weapons Convention (CWC) - which was endorsed in New York by the United Nations General Assembly on 30 November 1992 - was opened for signature on 13 January 1993. To oversee its implementation, a new international organization, the Organization for the Prohibition of Chemical Weapons (OPCW), will be established when the treaty enters into force, which could be as early as January 1995. The IAEA - as the only existing organization with a mandate for implementing an international verification system - is an important model for the structure and functioning of the OPCW. Many provisions in the CWC benefit from the lessons learned through the implementation of the IAEA's safeguards system in such matters as rights of access for inspectors, the designation of inspectors, and procedural arrangements. Overall, the structure of the IAEA and that foreseen for the OPCE are quite similar. There are, nonetheless, several structural differences. Most notably, the IAEA is charged with a dual mission, that of promoting the contribution of nuclear energy to social and economic development and of seeking to ensure that nuclear materials and facilities which have been placed under safeguards are not diverted from peaceful uses. The OPCW is responsible for achieving a complete ban on chemical weapons and is not responsible, at least as currently envisaged, for the promotion of peaceful uses of chemistry and chemical sciences

Effects of organic solvents on hyaluronic acid nanoparticles obtained by precipitation and chemical crosslinking.

Science.gov (United States)

Bicudo, Rafaela Costa Souza; Santana, Maria Helena Andrade

2012-03-01

Hyaluronic acid is a hydrophilic mucopolysaccharide composed of alternating units of D-glucuronic acid and N-acetylglucosamine. It is used in many medical, pharmaceutical, and cosmetic applications, as sponges, films, or particle formulations. Hyaluronic acid nanoparticles can be synthesized free of oil and surfactants by nanoprecipitation in organic solvents, followed by chemical crosslinking. The organic solvent plays an important role in particles size and structure. Therefore, this study aimed to investigate the influence of acetone, ethanol, and isopropyl alcohol on the synthesis and physico-chemical properties of hyaluronic acid nanoparticles. Particles were crosslinked with adipic hydrazide and chloride carbodiimide under controlled conditions. The nanoparticles obtained with all three studied solvents were moderately electrostatically stable. Experiments with acetone produced the smallest particle size (120.44 nm) and polydispersity (0.27). The size and polydispersity of hyaluronic acid nanoparticles correlated with the surface tension between water and the organic solvents, not with the thermodynamic affinity of water for the organic solvents.

Ab initio density functional theory study of non-polar (10-10), (11-20) and semipolar {20-21} GaN surfaces

Czech Academy of Sciences Publication Activity Database

Mutombo, Pingo; Romanyuk, Olexandr

2014-01-01

Roč. 115, č. 20 (2014), "203508-1"-"203508-5" ISSN 0021-8979 Grant - others:AVČR(CZ) M100101201 Institutional support: RVO:68378271 Keywords : non-polar GaN * semipolar GaN * surface reconstructions * DFT Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.183, year: 2014

Correlations between the 1H NMR chemical shieldings and the pKa values of organic acids and amines.

Science.gov (United States)

Lu, Juanfeng; Lu, Tingting; Zhao, Xinyun; Chen, Xi; Zhan, Chang-Guo

2018-06-01

The acid dissociation constants and 1 H NMR chemical shieldings of organic compounds are important properties that have attracted much research interest. However, few studies have explored the relationship between these two properties. In this work, we theoretically studied the NMR chemical shifts of a series of carboxylic acids and amines in the gas phase and in aqueous solution. It was found that the negative logarithms of the experimental acid dissociation constants (i.e., the pK a values) of the organic acids and amines in aqueous solution correlate almost linearly with the corresponding calculated NMR chemical shieldings. Key factors that affect the theoretically predicted pK a values are discussed in this paper. The present work provides a new way to predict the pK a values of organic/biochemical compounds. Graphical abstract The chemical shielding values of organic acids and amines correlate near linearly with their corresponding pK a values.

Elucidating mechanisms of toxic action of dissolved organic chemicals in oil sands process-affected water (OSPW).

Science.gov (United States)

Morandi, Garrett D; Wiseman, Steve B; Guan, Miao; Zhang, Xiaowei W; Martin, Jonathan W; Giesy, John P

2017-11-01

Oil sands process-affected water (OSPW) is generated during extraction of bitumen in the surface-mining oil sands industry in Alberta, Canada, and is acutely and chronically toxic to aquatic organisms. It is known that dissolved organic compounds in OSPW are responsible for most toxic effects, but knowledge of the specific mechanism(s) of toxicity, is limited. Using bioassay-based effects-directed analysis, the dissolved organic fraction of OSPW has previously been fractionated, ultimately producing refined samples of dissolved organic chemicals in OSPW, each with distinct chemical profiles. Using the Escherichia coli K-12 strain MG1655 gene reporter live cell array, the present study investigated relationships between toxic potencies of each fraction, expression of genes and characterization of chemicals in each of five acutely toxic and one non-toxic extract of OSPW derived by use of effects-directed analysis. Effects on expressions of genes related to response to oxidative stress, protein stress and DNA damage were indicative of exposure to acutely toxic extracts of OSPW. Additionally, six genes were uniquely responsive to acutely toxic extracts of OSPW. Evidence presented supports a role for sulphur- and nitrogen-containing chemical classes in the toxicity of extracts of OSPW. Copyright © 2017 Elsevier Ltd. All rights reserved.

Occurrence and ecological risk assessment of emerging organic chemicals in urban rivers

NARCIS (Netherlands)

Peng, Feng Jiao; Pan, Chang Gui; Zhang, Min; Zhang, Nai Sheng; Windfeld, Ronja; Salvito, Daniel; Selck, Henriette; Brink, Van den Paul J.; Ying, Guang Guo

2017-01-01

Urban rivers may receive contamination from various sources including point sources like domestic sewage and nonpoint sources (e.g., runoff), resulting in contamination with various chemicals. This study investigated the occurrence of emerging organic contaminants (3 endocrine disrupting

Chemical Annealing of Zinc Tetraphenylporphyrin Films: Effects on Film Morphology and Organic Photovoltaic Performance

KAUST Repository

Trinh, Cong

2012-07-10

We present a chemical annealing process for organic thin films. In this process, a thin film of a molecular material, such as zinc tetraphenylporphyrin (ZnTPP), is exposed to a vapor of nitrogen-based ligand (e.g., pyrazine, pz, and triazine, tz), forming a film composed of the metal-ligand complex. Fast and quantitative formation of the complex leads to marked changes in the morphology and optical properties of the film. X-ray diffraction studies show that the chemical annealing process converts amorphous ZnTPP films to crystalline ZnTPP•ligand films, whose porphryin planes lie nearly parallel to the substrate (average deviation is 8° for the ZnTPP•pz film). Organic solar cells were prepared with ZnTPP donor and C 60 acceptor layers. Devices were prepared with and without chemical annealing of the ZnTPP layer with a pyrazine ligand. The devices with chemically annealed ZnTPP donor layer show an increase in short-circuit current (J SC) and fill factor (FF) relative to analogous unannealed devices, presumably because of enhanced exciton diffusion length and improved charge conductivity. The open circuit voltages (V OC) of the chemically annealed devices are lower than their unannealed counterpart because of enhanced polaron pair recombination at the donor/acceptor heterojunction. A net improvement of 5-20% in efficiency has been achieved, after chemical annealing of ZnTPP films with pyrazine. © 2012 American Chemical Society.

Chemical structure of the Chromophoric Dissolved Organic Matter (CDOM) fluorescent matter.

Science.gov (United States)

Blough, N. V.; Del Vecchio, R.; Cartisano, C. M.; Bianca, M.

2017-12-01

The structure(s), distribution and dynamics of CDOM have been investigated over the last several decades largely through optical spectroscopy (including both absorption and fluorescence) due to the fairly inexpensive instrumentation and the easy-to-gather data (over thousands published papers from 1990-2016). Yet, the chemical structure(s) of the light absorbing and emitting species or constituents within CDOM has only recently being proposed and tested through chemical manipulation of selected functional groups (such as carbonyl and carboxylic/phenolic containing molecules) naturally occurring within the organic matter pool. Similarly, fitting models (among which the PArallel FACtor analysis, PARAFAC) have been developed to better understand the nature of a subset of DOM, the CDOM fluorescent matter (FDOM). Fluorescence spectroscopy coupled with chemical tests and PARAFAC analyses could potentially provide valuable insights on CDOM sources and chemical nature of the FDOM pool. However, despite that applications (and publications) of PARAFAC model to FDOM have grown exponentially since its first application/publication (2003), a large fraction of such publications has misinterpreted the chemical meaning of the delivered PARAFAC `components' leading to more confusion than clarification on the nature, distribution and dynamics of the FDOM pool. In this context, we employed chemical manipulation of selected functional groups to gain further insights on the chemical structure of the FDOM and we tested to what extent the PARAFAC `components' represent true fluorophores through a controlled chemical approach with the ultimate goal to provide insights on the chemical nature of such `components' (as well as on the chemical nature of the FDOM) along with the advantages and limitations of the PARAFAC application.

Direct conversion of radioactive and chemical waste containing metals, ceramics, amorphous solids, and organics to glass

International Nuclear Information System (INIS)

Forsberg, C.W.; Beahm, E.C.; Parker, G.W.

1994-01-01

The Glass Material Oxidation and Dissolution System (CMODS) is a new process for direct conversion of radioactive, mixed, and chemical wastes to glass. The wastes can be in the chemical forms of metals, ceramics, amorphous solids, and organics. GMODS destroys organics and it incorporates heavy metals and radionuclides into a glass. Processable wastes may include miscellaneous spent fuels (SF), SF hulls and hardware, plutonium wastes in different forms, high-efficiency particulate air (HEPA) filters, ion-exchange resins, failed equipment, and laboratory wastes. Thermodynamic calculations indicate theoretical feasibility. Small-scale laboratory experiments (< 100 g per test) have demonstrated chemical laboratory feasibility for several metals. Additional work is needed to demonstrate engineering feasibility

Chemical, Sensorial and Rheological Properties of a New Organic Rice Bran Beverage

OpenAIRE

Gerson Luis FACCIN; Letícia Adélia MIOTTO; Leila do Nascimento VIEIRA; Pedro Luiz Manique BARRETO; Edna Regina AMANTE

2009-01-01

Rice bran is a solid residue from rice polishing that is used in animal nutrition and rice oil production. Cultivation conditions with agro-toxics, lipids instability, and tendency for mycotoxin contamination restrict its application in human nutrition. Therefore, organic agriculture is an alternative to use the properties of rice bran. Rice bran beverage is a new cereal product from organic rice. This work presents the preliminary results of the chemical and rheological studies of a bath pas...

The effect of the indoor environment on the fate of organic chemicals in the urban landscape.

Science.gov (United States)

Cousins, Anna Palm

2012-11-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical-chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK(OA) and the impact of the ventilation rate on the urban fate of organic chemicals. Copyright © 2012 Elsevier B.V. All rights reserved.

Metal–organic framework-based catalysts: Chemical fixation of CO2 with epoxides leading to cyclic organic carbonates

Directory of Open Access Journals (Sweden)

M. Hassan eBeyzavi

2015-01-01

Full Text Available As a C1 feedstock, CO2 has the potential to be uniquely highly economical in both a chemical and a financial sense. In particular, the highly atom-economical acid-catalyzed cycloaddition of CO2 to epoxides to yield cyclic organic carbonates (OCs, a functionality having many important industrial applications, is an attractive reaction for the utilization of CO2 as a chemical feedstock. Metal–organic frameworks (MOFs are promising candidates in catalysis as they are a class of crystalline, porous and functional materials with remarkable properties including great surface area, high stability, open channels and permanent porosity. MOFs structure tunability and their affinity for CO2, makes them great catalysts for the formation of OCs using CO2 and epoxides. In this review, we examine MOF-based catalytic materials for the cycloaddition of carbon dioxide to epoxides. Catalysts are grouped based on the location of catalytic sites, i.e., at the struts, nodes, defect sites, or some combination thereof. Additionally, important features of each catalyst system are critically discussed.

Using solid phase micro extraction to determine salting-out (Setschenow) constants for hydrophobic organic chemicals.

NARCIS (Netherlands)

Jonker, M.T.O.; Muijs, B.

2010-01-01

With increasing ionic strength, the aqueous solubility and activity of organic chemicals are altered. This so-called salting-out effect causes the hydrophobicity of the chemicals to be increased and sorption in the marine environment to be more pronounced than in freshwater systems. The process can

Hazard evaluation of soil contaminants from an abandoned oil refinery site with chemical and biological assays

International Nuclear Information System (INIS)

Ramanathan, A.; Yates, C.W.; Burks, S.L.

1993-01-01

The phytotoxic characteristics of soil and leachates of soil from an abandoned oil refinery site were evaluated with rice (Oryza sativa L.) seed germinations and root elongation assays. Toxicity of soil leachates to aquatic animals was determined with acute and martial chronic toxicity tests with Ceriodaphnia dubia, fathead minnows, and Microtox reg-sign. Soil samples from uncontaminated (control) and selected contaminated areas within the old refinery were extracted with Toxic Characteristics Leachate Procedure (TCLP), an aqueous procedure and a supercritical carbon dioxide method. Aqueous extracts of soil from the oil leaded gasoline storage area exhibited greatest effects in all tests. Aqueous extracts from this site also caused a significant reduction in rice root development. Supercritical carbon dioxide extraction proved to be a quick and non-toxic procedure for isolating non-polar organics for assay with aquatic toxicity tests. Subsequent supercritical extracts collected in solvent can help characterize the class of toxicants through HPLC and Gas Chromatography. The toxic constituents were characterized with a Toxicity Identification/Toxicity Reduction Evaluation protocol to fractionate the contaminants into conventional non-polar organics, weak acids, base-neutrals, or heavy metals for subsequent analysis

The effect of the indoor environment on the fate of organic chemicals in the urban landscape

International Nuclear Information System (INIS)

Cousins, Anna Palm

2012-01-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical–chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK OA and the impact of the ventilation rate on the urban fate of organic chemicals. -- Highlights: ► A novel indoor-inclusive multimedia urban fate model is developed and applied. ► Emissions indoors may increase the urban chemical residence time. ► Indoor removal from surfaces constitutes an additional loss process

Simultaneous testing of multiclass organic contaminants in food and environment by liquid chromatography/dielectric barrier discharge ionization-mass spectrometry.

Science.gov (United States)

Gilbert-López, Bienvenida; García-Reyes, Juan F; Meyer, Cordula; Michels, Antje; Franzke, Joachim; Molina-Díaz, Antonio; Hayen, Heiko

2012-11-21

A Dielectric Barrier Discharge Ionization (DBDI) LC/MS interface is based on the use of a low-temperature helium plasma, which features the possibility of simultaneous ionization of species with a wide variety of physicochemical properties. In this work, the performance of LC/DBDI-MS for trace analysis of highly relevant species in food and environment has been examined. Over 75 relevant species including multiclass priority organic contaminants and residues such as pesticides, polycyclic aromatic hydrocarbons, organochlorine species, pharmaceuticals, personal care products, and drugs of abuse were tested. LC/DBDI-MS performance for this application was assessed and compared with standard LC/MS sources (electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI)). The used benchtop Orbitrap mass spectrometer features a 10 Hz polarity switching mode, so that both positive and negative ion mode acquisitions are possible with acquisition cycles matching the requirements of fast liquid chromatography. Both polar and nonpolar species (including those typically analyzed by GC/electron ionization-MS) can be tested in a single run using polarity switching mode. The methodology was found to be effective in detecting a wide array of organic compounds at concentration levels in the low ng L(-1) to μg kg(-1) range in wastewater and food matrices, respectively. The linearity was evaluated in an olive oil extract, obtaining good correlation coefficients in the studied range. Additionally, minor matrix effects (≤15% of signal suppression or enhancement) were observed for most of the studied analytes in this complex fatty matrix. The results obtained were compared with data from both ESI and APCI sources, obtaining a merged coverage between ESI and APCI in terms of analyte ionization and higher overall sensitivity for the proposed ion source based on the DBD principle. The use of this approach further extends the coverage of current LC/MS methods towards

Subcritical-Water Extraction of Organics from Solid Matrices

Science.gov (United States)

Amashukeli, Xenia; Grunthaner, Frank; Patrick, Steven; Kirby, James; Bickler, Donald; Willis, Peter; Pelletier, Christine; Bryson, Charles

2009-01-01

An apparatus for extracting organic compounds from soils, sands, and other solid matrix materials utilizes water at subcritical temperature and pressure as a solvent. The apparatus, called subcritical water extractor (SCWE), is a prototype of subsystems of future instrumentation systems to be used in searching for organic compounds as signs of past or present life on Mars. An aqueous solution generated by an apparatus like this one can be analyzed by any of a variety of established chromatographic or spectroscopic means to detect the dissolved organic compound( s). The apparatus can be used on Earth: indeed, in proof-of-concept experiments, SCWE was used to extract amino acids from soils of the Atacama Desert (Chile), which was chosen because the dryness and other relevant soil conditions there approximate those on Mars. The design of the apparatus is based partly on the fact that the relative permittivity (also known as the dielectric constant) of liquid water varies with temperature and pressure. At a temperature of 30 C and a pressure of 0.1 MPa, the relative permittivity of water is 79.6, due to the strong dipole-dipole electrostatic interactions between individual molecular dipoles. As the temperature increases, increasing thermal energy causes increasing disorientation of molecular dipoles, with a consequent decrease in relative permittivity. For example, water at a temperature of 325 C and pressure of 20 MPa has a relative permittivity of 17.5, which is similar to the relative permittivities of such nonpolar organic solvents as 1-butanol (17.8). In the operation of this apparatus, the temperature and pressure of water are adjusted so that the water can be used in place of commonly used organic solvents to extract compounds that have dissimilar physical and chemical properties.

Growth and galvanic replacement of silver nanocubes in organic media

Science.gov (United States)

Polavarapu, Lakshminarayana; Liz-Marzán, Luis M.

2013-05-01

Although metal nanoparticles with various shapes can be prepared in polar organic solvents, little has been advanced toward the shape-controlled synthesis in non-polar solvents. We report a simple method for the synthesis of nearly monodisperse single crystalline silver nanocubes in a non-polar solvent (1,2-dichlorobenzene) by using oleylamine as both a reducing and capping agent. Mechanistic studies based on the time evolution of Ag nanoparticles revealed that multiply twinned nanocrystals form at the beginning of the reaction, which are gradually transformed into single crystalline Ag nanocubes by oxidative etching. Control experiments showed that the solvent plays an important role in the formation of such single crystalline Ag nanocubes. The effects of reaction temperature, oleylamine concentration, solvent, and the nature of the silver ion precursor on the morphology and monodispersity of the nanoparticles were systematically investigated. Additionally, the galvanic replacement reaction with HAuCl4 in an organic medium was implemented to prepare hydrophobic hollow Au-Ag nanocages with tunable localized surface plasmon resonances.Although metal nanoparticles with various shapes can be prepared in polar organic solvents, little has been advanced toward the shape-controlled synthesis in non-polar solvents. We report a simple method for the synthesis of nearly monodisperse single crystalline silver nanocubes in a non-polar solvent (1,2-dichlorobenzene) by using oleylamine as both a reducing and capping agent. Mechanistic studies based on the time evolution of Ag nanoparticles revealed that multiply twinned nanocrystals form at the beginning of the reaction, which are gradually transformed into single crystalline Ag nanocubes by oxidative etching. Control experiments showed that the solvent plays an important role in the formation of such single crystalline Ag nanocubes. The effects of reaction temperature, oleylamine concentration, solvent, and the nature of the

Organic Nitrogen in Atmospheric Drops and Particles: Concentrations, (Limited) Speciation, and Chemical Transformations

Science.gov (United States)

Anastasio, C.; Zhang, Q.

2003-12-01

While quite a bit is known of the concentrations, speciation, and chemistry of inorganic forms of nitrogen in the atmosphere, the same cannot be said for organic forms. Despite this, there is growing evidence that organic N (ON) is ubiquitous in the atmosphere, especially in atmospheric condensed phases such as fog/cloud drops and aerosol particles. Although the major compounds that make up organic N are generally unknown, as are the sources of these compounds, it is clear that there are significant fluxes of ON between the atmosphere and ecosystems. It also appears that organic N can have significant effects in both spheres. The goal of our recent work in this area has been to better describe the atmospheric component of the biogeochemistry of organic nitrogen. Based on particle, gas, and fogwater samples from Northern California we have made three major findings: 1) Organic N represents a significant component, approximately 20%, of the total atmospheric N loading in these samples. This is broadly consistent with studies from other locations. 2) Amino compounds, primarily as combined amino acids, account for approximately 20% of the measured ON in our condensed phase samples. Given the properties of amino acids, these compounds could significantly affect the chemical and physical properties of atmospheric particles. 3) Organic nitrogen in atmospheric particles and drops is transformed to inorganic forms - primarily ammonium, nitrate, and nitrogen oxides (NOx) - during exposure to sunlight and/or ozone. These chemical reactions likely increase the bioavailability of the condensed phase nitrogen pool and enhance its biological effects after deposition to ecosystems.

Self-organization of grafted polyelectrolyte layers via the coupling of chemical equilibrium and physical interactions.

Science.gov (United States)

Tagliazucchi, Mario; de la Cruz, Mónica Olvera; Szleifer, Igal

2010-03-23

The competition between chemical equilibrium, for example protonation, and physical interactions determines the molecular organization and functionality of biological and synthetic systems. Charge regulation by displacement of acid-base equilibrium induced by changes in the local environment provides a feedback mechanism that controls the balance between electrostatic, van der Waals, steric interactions and molecular organization. Which strategies do responsive systems follow to globally optimize chemical equilibrium and physical interactions? We address this question by theoretically studying model layers of end-grafted polyacids. These layers spontaneously form self-assembled aggregates, presenting domains of controlled local pH and whose morphologies can be manipulated by the composition of the solution in contact with the film. Charge regulation stabilizes micellar domains over a wide range of pH by reducing the local charge in the aggregate at the cost of chemical free energy and gaining in hydrophobic interactions. This balance determines the boundaries between different aggregate morphologies. We show that a qualitatively new form of organization arises from the coupling between physical interactions and protonation equilibrium. This optimization strategy presents itself with polyelectrolytes coexisting in two different and well-defined protonation states. Our results underline the need of considering the coupling between chemical equilibrium and physical interactions due to their highly nonadditive behavior. The predictions provide guidelines for the creation of responsive polymer layers presenting self-organized patterns with functional properties and they give insights for the understanding of competing interactions in highly inhomogeneous and constrained environments such as those relevant in nanotechnology and those responsible for biological cells function.

Identification of specific organic contaminants in different units of a chemical production site.

Science.gov (United States)

Dsikowitzky, L; Botalova, O; al Sandouk-Lincke, N A; Schwarzbauer, J

2014-07-01

Due to the very limited number of studies dealing with the chemical composition of industrial wastewaters, many industrial organic contaminants still escape our view and consequently also our control. We present here the chemical characterization of wastewaters from different units of a chemical complex, thereby contributing to the characterization of industrial pollution sources. The chemicals produced in the investigated complex are widely and intensively used and the synthesis processes are common and applied worldwide. The chemical composition of untreated and treated wastewaters from the chemical complex was investigated by applying a non-target screening which allowed for the identification of 39 organic contaminants. According to their application most of them belonged to four groups: (i) unspecific educts or intermediates of industrial syntheses, (ii) chemicals for the manufacturing of pharmaceuticals, (iii) educts for the synthesis of polymers and resins, and (iv) compounds known as typical constituents of municipal sewage. A number of halogenated compounds with unknown toxicity and with very high molecular diversity belonged to the second group. Although these compounds were completely removed or degraded during wastewater treatment, they could be useful as "alarm indicators" for industrial accidents in pharmaceutical manufacturing units or for malfunctions of wastewater treatment plants. Three potential branch-specific indicators for polymer manufacturing were found in the outflow of the complex. Among all compounds, bisphenol A, which was present in the leachate water of the on-site waste deposit, occurred in the highest concentrations of up to 20 000 μg L(-1). The comparison of contaminant loads in the inflow and outflow of the on-site wastewater treatment facility showed that most contaminants were completely or at least significantly removed or degraded during the treatment, except two alkylthiols, which were enriched during the treatment process

Interfacial B-site atomic configuration in polar (111) and non-polar (001) SrIrO3/SrTiO3 heterostructures

Science.gov (United States)

Anderson, T. J.; Zhou, H.; Xie, L.; Podkaminer, J. P.; Patzner, J. J.; Ryu, S.; Pan, X. Q.; Eom, C. B.

2017-09-01

The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111) and non-polar (001) SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111) interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001) interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111) perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

Interfacial B-site atomic configuration in polar (111 and non-polar (001 SrIrO3/SrTiO3 heterostructures

Directory of Open Access Journals (Sweden)

T. J. Anderson

2017-09-01

Full Text Available The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111 and non-polar (001 SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111 interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001 interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111 perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

Effects of radiation and chemical substances on cells and organism

International Nuclear Information System (INIS)

Fremuth, F.

1981-01-01

The book treats the radiation chemistry part of biophysics and applied biophysics in the sphere of ionizing radiation. Discussed are the concepts of radiation units and radioactivity units and the relative biological efficiency. The effects of ionizing and UV radiations are analyzed at the level of macromolecular changes. Chapters dealing with genetic radiation effects discuss the effects at the cellular level with respect to cell proliferation. All these problems are used to illustrate the effect on the organism as a whole. The chapters on applied biophysics deal with the indications of radiation and chemical damage, sensitivity of cells and the organism, and the study and influencing of growth at the cellular level. The concluding chapter is devoted to the environmental impact of radiation. (J.P.)

An on-line normal-phase high performance liquid chromatography method for the rapid detection of radical scavengers in non-polar food matrixes

NARCIS (Netherlands)

Zhang, Q.; Klift, van der E.J.C.; Janssen, H.G.; Beek, van T.A.

2009-01-01

An on-line method for the rapid pinpointing of radical scavengers in non-polar mixtures like vegetable oils was developed. To avoid problems with dissolving the sample, normal-phase chromatography on bare silica gel was used with mixtures of hexane and methyl tert-butyl ether as the eluent. The high

Use of polar and nonpolar fractions as additional information sources for studying thermoxidized virgin olive oils by FTIR

Directory of Open Access Journals (Sweden)

Tena, N.

2014-09-01

Full Text Available Fourier transform infrared (FTIR spectroscopy has been proposed to study the degradation of virgin olive oils (VOO in samples undergoing thermoxidation. The polar and nonpolar fractions of oxidized oils have been analyzed by FTIR to provide further information on the minor spectral changes taking place during thermoxidation. This information assists in the interpretation of the spectra of the samples. For this purpose polar and nonpolar fractions of 47 VOO samples thermoxidized (190 °C in a fryer were analyzed by FTIR. The time-course change of the band area assigned to single cis double bonds was explained by their correlation with the decrease in oleic acid (adjusted-R2=0.93. The bands assigned to the hydroxyl groups and the first overtone of ester groups was better studied in the spectra collected for the polar and nonpolar fractions, respectively. The bands assigned to peroxide, epoxy, tertiary alcohols and fatty acids were clearly observed in the spectra of the polar fraction while they are not noticeable in the spectra of the oils.La espectroscopía de infrarrojos por transformada de Fourier (FTIR se ha propuesto para estudiar la degradación de los aceites de oliva vírgenes (AOV sujetas a termoxidación. Las fracciones polares y no polares de aceites oxidados se analizaron mediante FTIR para obtener más información sobre los cambios espectrales menores que tienen lugar durante la termoxidación. Esa información ayuda en la interpretación de los espectros de las muestras puras. Con este objetivo, fracciones polares y no polares de 47 AOV termoxidados (190 °C en una freidora se analizaron mediante FTIR. La banda asignada a dobles enlaces cis se explica por su correlación con la disminución de ácido oleico (R2-ajustado=0,93. Las bandas asignadas a los grupos hidroxilos y del primer sobretono de los grupos éster se estudió mejor en los espectros recogidos para la fracción polar y no polar, respectivamente. Grupos asignados a per

Smooth perfluorinated surfaces with different chemical and physical natures: their unusual dynamic dewetting behavior toward polar and nonpolar liquids.

Science.gov (United States)

Cheng, Dalton F; Masheder, Benjamin; Urata, Chihiro; Hozumi, Atsushi

2013-09-10

The effects of surface chemistry and the mobility of surface-tethered functional groups of various perfluorinated surfaces on their dewetting behavior toward polar (water) and nonpolar (n-hexadecane, n-dodecane, and n-decane) liquids were investigated. In this study, three types of common smooth perfluorinated surfaces, that is, a perfluoroalkylsilane (heptadecafluoro-1,1,2,2-tetrahydrooctyl-dimethylchlorosilane, FAS17) monomeric layer, an amorphous fluoropolymer film (Teflon AF 1600), and a perfluorinated polyether (PFPE)-terminated polymer brush film (Optool DSX), were prepared and their static/dynamic dewetting characteristics were compared. Although the apparent static contact angles (CAs) of these surfaces with all probe liquids were almost identical to each other, the ease of movement of liquid drops critically depended on the physical (solidlike or liquidlike) natures of the substrate surface. CA hysteresis and substrate tilt angles (TAs) of all probe liquids on the Optool DSX surface were found to be much lower than those of Teflon AF1600 and FAS17 surfaces due to its physical polymer chain mobility at room temperature and the resulting liquidlike nature. Only 6.0° of substrate incline was required to initiate movement for a small drop (5 μL) of n-decane, which was comparable to the reported substrate TA value (5.3°) for a superoleophobic surface (θ(S) > 160°, textured perfluorinated surface). Such unusual dynamic dewetting behavior of the Optool DSX surface was also markedly enhanced due to the significant increase in the chain mobility of PFPE by moderate heating (70 °C) of the surface, with substrate TA reducing to 3.0°. CA hysteresis and substrate TAs rather than static CAs were therefore determined to be of greater consequence for the estimation of the actual dynamic dewetting behavior of alkane probe liquids on these smooth perfluorinated surfaces. Their dynamic dewettability toward alkane liquids is in the order of Optool DSX > Teflon AF1600 �

Evaluation of Predicted and Observed Data on Biotransformation of Twenty-Nine Trace Organic Chemicals

KAUST Repository

Bertolini, Maria

2011-07-01

Trace organic chemicals present in household products, pesticides, pharmaceuticals and personal care products may have adverse ecotoxicological effects once they are released to the environment. These chemicals are usually transported with the sewage to wastewater treatment facilities, where they might be attenuated depending on the degree of treatment applied prior to discharge to receiving streams. This study evaluates the removal performance of 29 trace organic compounds during two different activated sludge treatment systems. Predominant attenuation processes such as biotransformation and sorption for the target compounds were identified. Biotransformation rate constants determined in this study were used to assess removal of compounds from other treatment plants with similar operational conditions, using data gathered from the literature. The commercial software Catalogic was applied to predict environmental fate of chemicals. The software program consisted of four models able to simulate molecular transformations and to generate degradation trees. In order to assess the accuracy of this program in predicting biotransformation, one biodegradation model is used to contrast predicted degradation pathway with metabolic pathways reported in the literature. The predicted outcome was correct for more than 40 percent of the 29 targeted substances, while 38 percent of the chemicals exhibited some degree of lower agreement between predicted and observed pathways. Percent removal data determined for the two treatment facilities was compared with transformation probability output from Catalogic. About 80 percent of the 29 compounds exhibited a good correlation between probability of transformation of the parent compound and percent removal data from the two treatment plants (R2 = 0.82 and 0.9). Based upon findings for 29 trace organic chemicals regarding removal during activated sludge treatment, attacked fragments present in their structures, predicted data from

System and process for polarity swing assisted regeneration of gas selective capture liquids

Science.gov (United States)

Heldebrant, David J.; Tegrotenhuis, Ward E.; Freeman, Charles J.; Elliott, Michael L.; Koech, Phillip K.; Humble, Paul H.; Zheng, Feng; Zhang, Jian

2017-07-18

A polarity swing-assisted regeneration (PSAR) process is disclosed for improving the efficiency of releasing gases chemically bound to switchable ionic liquids. Regeneration of the SWIL involves addition of a quantity of non-polar organic compound as an anti-solvent to destabilize the SWIL, which aids in release of the chemically bound gas. The PSAR decreases gas loading of a SWIL at a given temperature and increases the rate of gas release compared to heating in the absence of anti-solvent.

Chemical characterisation of natural organic substrates for biological mitigation of acid mine drainage.

Science.gov (United States)

Gibert, Oriol; de Pablo, Joan; Luis Cortina, José; Ayora, Carlos

2004-11-01

The current approach of the biological treatment of acid mine drainage by means of a passive remediation system involves the choice of an appropriate organic substrate as electron donor for sulphate reducers. Nowadays this selection is one of the critical steps in the performance of such treatment, as this depends to a great extent on the degradability of the organic substrate. Thus, a prior characterisation of the organic substrate predicting its biodegradability would be desirable before embarking on an extensive large-scale application. The aim of this study was to correlate the chemical composition (lignin content) of four different natural organic substrates (compost, sheep and poultry manures, oak leaf) and their capacity to sustain bacterial activity in an attempt to predict biodegradation from chemical characterisation. The results showed that the lower the content of lignin in the organic substrate, the higher its biodegradability and capacity for developing bacterial activity. Of the four organic materials, sheep and poultry manures and oak leaf evolved reducing conditions and sustained active sulphidogenesis, which coupled with the decrease in sulphate concentration indicated bacterial activity. Sheep manure was clearly the most successful organic material as electron donor (sulphate removal >99%), followed by poultry manure and oak leaf (sulphate removal of 80%). Compost appeared to be too poor in carbon to promote sulphate-reducing bacteria activity by itself. Column experiments emphasised the importance of considering the residence time as a key factor in the performance of continuous systems. With a residence time of 0.73 days, sheep manure did not promote sulphidogenesis. However, extending residence time to 2.4 and 9.0 days resulted in an increase in the sulphate removal to 18% and 27%, respectively.

The effect of the indoor environment on the fate of organic chemicals in the urban landscape

Energy Technology Data Exchange (ETDEWEB)

Cousins, Anna Palm, E-mail: anna.cousins@ivl.se

2012-11-01

To assess the effect of the indoor environment on the urban fate of organic chemicals, an 8-compartment indoor-inclusive steady state multimedia chemical fate model was developed. The model includes typical urban compartments (air, soil, water, sediment, and urban film) and a novel module representing a generic indoor environment. The model was parameterized to the municipality of Stockholm, Sweden and applied to four organic chemicals with different physical-chemical characteristics and use patterns: formaldehyde, 2,4,6-tribromophenol, di-ethylhexylphthalate and decabromodiphenyl ether. The results show that emissions to indoor air may increase the steady state mass and residence time in the urban environment by a factor of 1.1 to 22 for the four chemicals, compared to if emissions are assigned to outdoor air. This is due to the nested nature of the indoor environment, which creates a physical barrier that prevents chemicals from leaving the urban system with outflowing air. For DEHP and BDE 209, the additional partitioning to indoor surfaces results in a greater importance of the indoor removal pathways from surfaces. The outdoor environmental concentrations of these chemicals are predicted to be lower if emitted to indoor air than if emitted to outdoor air because of the additional indoor removal pathways of dust and indoor film, leading to loss of chemical from the system. For formaldehyde and 2,4,6-TBP outdoor environmental concentrations are not affected by whether the release occurs indoors or outdoors because of the limited partitioning to indoor surfaces. A sensitivity analysis revealed that there appears to be a relationship between logK{sub OA} and the impact of the ventilation rate on the urban fate of organic chemicals. -- Highlights: Black-Right-Pointing-Pointer A novel indoor-inclusive multimedia urban fate model is developed and applied. Black-Right-Pointing-Pointer Emissions indoors may increase the urban chemical residence time. Black

Basal-plane stacking faults in non-polar GaN studied by off-axis electron holography

Energy Technology Data Exchange (ETDEWEB)

Liu, Lewis Z-Y; Rao, D V Sridhara; Kappers, M J; Humphreys, C J [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge, CB2 3QZ (United Kingdom); Geiger, D, E-mail: ZL249@cam.ac.u [Triebenberg Laboratory, Institute for Structure Physics, Technische Universitaet Dresden, D-01062 Dresden (Germany)

2010-02-01

We have studied basal-plane stacking faults in a non-polar (11-20) GaN epilayer using high-resolution electron microscopy and off-axis electron holography. The microstructure of the basal-plane stacking faults (BSFs) has been determined to be I{sub 1} type from high-resolution TEM images. High-resolution holograms along the [11-20] zone axis were obtained by off-axis electron holography on a Cs-corrected TEM, providing {approx}2 A spatial resolution in the reconstructed amplitude and phase images. Phase fluctuations across the stacking faults were detected, suggesting the presence of a built-in electric field. The uncertainties in the experiments and their interpretation are discussed.

Screening of perfluorinated chemicals (PFCs) in various aquatic organisms

Energy Technology Data Exchange (ETDEWEB)

Fernandez-Sanjuan, Maria; Meyer, Johan; Damasio, Joana; Faria, Melissa; Barata, Carlos; Lacorte, Silvia [IDAEA-CSIC, Department of Environmental Chemistry, Barcelona (Spain)

2010-10-15

The aim of this study was to evaluate the occurrence of five perfluorinated chemicals (perfluorooctane sulfonic acid (PFOS), perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), perfluorohexane sulfonic acid (PFHxS), and perfluorobutane sulfonic acid) in aquatic organisms dwelling in either freshwater or marine ecosystems. Organisms selected were insect larvae, oysters, zebra mussels, sardines, and crabs, which are widespread in the environment and may represent potential bioindicators of exposure to PFCs. The study comprises the optimization of a solid-liquid extraction method and determination by high-performance liquid chromatography coupled to tandem mass spectrometry. Using spiked zebra mussels at 10 and 100 ng/g level, the method developed provided recoveries of 96% and 122%, and 82% to 116%, respectively, and a limit of detection between 0.07 and 0.22 ng/g ww. The method was highly sensitivity and robust to determine PFC compounds in a wide array of biological matrices, and no matrix interferents nor blank contamination was observed. Among organisms studied, none of the bivalves accumulated PFCs, and contrarily, insect larvae, followed by fish and crabs contained levels ranging from 0.23 to 144 ng/g ww of PFOS, from 0.14 to 4.3 ng/g ww of PFOA, and traces of PFNA and PFHxS. Assessment of the potential use of aquatic organisms for biomonitoring studies is further discussed. (orig.)

A combined interfacial and in-situ polymerization strategy to construct well-defined core-shell epoxy-containing SiO2-based microcapsules with high encapsulation loading, super thermal stability and nonpolar solvent tolerance

Directory of Open Access Journals (Sweden)

Yin Jia

2016-10-01

Full Text Available SiO2-based microcapsules containing hydrophobic molecules exhibited potential applications such as extrinsic self-healing, drug delivery, due to outstanding thermal and chemical stability of SiO2. However, to construct SiO2-based microcapsules with both high encapsulation loading and long-term structural stability is still a troublesome issue, limiting their further utilization. We herein design a single-batch route, a combined interfacial and in-situ polymerization strategy, to fabricate epoxy-containing SiO2-based microcapsules with both high encapsulation loading and long-term structural stability. The final SiO2-based microcapsules preserve high encapsulation loading of 85.7 wt% by controlling exclusively hydrolysis and condensed polymerization at oil/water interface in the initial interfacial polymerization step. In the subsequent in-situ polymerization step, the initial SiO2-based microcapsules as seeds could efficiently harvest SiO2 precursors and primary SiO2 particles to finely tune the SiO2 wall thickness, thereby enhancing long-term structural stability of the final SiO2-based microcapsules including high thermal stability with almost no any weight loss until 250°C, and strong tolerance against nonpolar solvents such as CCl4 with almost unchanged core-shell structure and unchanged core weight after immersing into strong solvents for up to 5 days. These SiO2-based microcapsules are extremely suited for processing them into anticorrosive coating in the presence of nonpolar solvents for self-healing application.

Chemical analysis and genotoxicity of high molecular mass PAH in sediment samples and biota

International Nuclear Information System (INIS)

McCarry, B.E.; Marvin, C.H.; Smith, R.W.; Bryant, D.W.

1995-01-01

A normal phase liquid chromatography (NPLC) method was used to fractionate the organic extracts of prepared from coal tar-contaminated sediments from hamilton Harbor in Ontario and from Sydney Harbor in Nova Scotia into molecular mass classes. Each PAH fraction up to 302 amu was analyzed by GC-MS and fractions containing PAH with molecular masses greater than 302 amu were analyzed by atmospheric pressure chemical ionization (APCI) LC-MS.Each fraction was also subjected to Ames bioassays using a TA100-like strain of Salmonella typhimurium (YG1025 + S9). The 300/302 amu, 326/328 and 350/352 amu PAH fractions accounted for 25% of the total genotoxic response of the extract; these PAH constitute a substantial genotoxic burden. A number of 300, 302, 326, 350, 374 and 400 amu PAH were identified using APCI LC-MS and comparison with authentic standards. The non-polar aromatic extracts of bottom sediments, suspended sediments and zebra mussels from Hamilton Harbor were also examined by GC-MS, APCI LC-MS and genotoxicity bioassays. The profiles of the priority and high mass PAH in these samples were identical showing that all PAH up to and exceeding 400 amu were readily bioavailable to biota such as Zebra mussels. In addition, the pseudo faeces of the Zebra mussels and amphipod detritivores which fed on the pseudo faeces had chemical profiles identical to the Zebra mussels. Since many sport fish prize amphipods as food, this observation demonstrates a pathway for organic contaminants adsorbed to suspended sediments to enter the food chain of non-bottom-feeding fish in areas infested by Zebra mussels

Heme and non-heme iron transporters in non-polarized and polarized cells

Directory of Open Access Journals (Sweden)

Yasui Yumiko

2010-06-01

Full Text Available Abstract Background Heme and non-heme iron from diet, and recycled iron from hemoglobin are important products of the synthesis of iron-containing molecules. In excess, iron is potentially toxic because it can produce reactive oxygen species through the Fenton reaction. Humans can absorb, transport, store, and recycle iron without an excretory system to remove excess iron. Two candidate heme transporters and two iron transporters have been reported thus far. Heme incorporated into cells is degraded by heme oxygenases (HOs, and the iron product is reutilized by the body. To specify the processes of heme uptake and degradation, and the reutilization of iron, we determined the subcellular localizations of these transporters and HOs. Results In this study, we analyzed the subcellular localizations of 2 isoenzymes of HOs, 4 isoforms of divalent metal transporter 1 (DMT1, and 2 candidate heme transporters--heme carrier protein 1 (HCP1 and heme responsive gene-1 (HRG-1--in non-polarized and polarized cells. In non-polarized cells, HCP1, HRG-1, and DMT1A-I are located in the plasma membrane. In polarized cells, they show distinct localizations: HCP1 and DMT1A-I are located in the apical membrane, whereas HRG-1 is located in the basolateral membrane and lysosome. 16Leu at DMT1A-I N-terminal cytosolic domain was found to be crucial for plasma membrane localization. HOs are located in smooth endoplasmic reticulum and colocalize with NADPH-cytochrome P450 reductase. Conclusions HCP1 and DMT1A-I are localized to the apical membrane, and HRG-1 to the basolateral membrane and lysosome. These findings suggest that HCP1 and DMT1A-I have functions in the uptake of dietary heme and non-heme iron. HRG-1 can transport endocytosed heme from the lysosome into the cytosol. These localization studies support a model in which cytosolic heme can be degraded by HOs, and the resulting iron is exported into tissue fluids via the iron transporter ferroportin 1, which is

Determination of inorganic arsenic in algae using bromine halogenation and on-line nonpolar solid phase extraction followed by hydride generation atomic flourescence spectrometry

Science.gov (United States)

Accurate, stable and fast analysis of toxic inorganic arsenic (iAs) in complicated and arsenosugar-rich algae matrix is always a challenge. Herein, a novel analytical method for iAs in algae was reported, using bromine halogenation and on-line nonpolar solid phase extraction (SPE) followed by hydrid...

Effects of various organic and chemical fertilizers on growth indices of basil (Ocimum basilicum L.

Directory of Open Access Journals (Sweden)

S.M.K. Tahami

2016-05-01

Full Text Available In order to develop the high intensive agriculture, more chemical fertilizers are applied to the soil that resulting in soil degradation and environment deterioration. Application of organic manure is an important approach for maintaining and improving the soil fertility and increasing fertilizer use efficiency. Therefore, in order to evaluate the effect of organic manures and chemical fertilizer on growth indices and biological yield of basil (Ocimum basilicum L., an experiment was conducted at Research Station, Faculty of Agriculture, Ferdowsi University of Mashhad, Iran, during growing season of 2008-2009. A complete randomized block design with six treatments and three replications was used. The treatments were: cow manure, sheep manure, chicken manure, vermicompost, chemical NPK fertilizers and control (no fertilizer. The results showed that the use of organic fertilizers significantly increased seed and biological yield of basil compared with chemical fertilizer and control. The maximum and the minimum dry weights were observed at 105 days after planting, in sheep and cow manures, respectively. Gradually during the period of plant growth and development to reproduction phase percent of stem decreased and dry weight of inflorescence increased. The highest and the lowest leaf area index were observed at 90 days after planting, in cow manure and control, respectively, and then decreased in all treatments. The maximum crop growth rate in most of treatments at 90 days after planting was obtained, except the control which plant growth rate was lowest. Net assimilation rate (NAR in most treatments increased until 75 days after planting and then declined. While the highest and the lowest NAR were observed at 75 days after planting in chicken manure and chemical treatment, respectively.

Continuous, Highly Flexible, and Transparent Graphene Films by Chemical Vapor Deposition for Organic Photovoltaics

KAUST Repository

Gomez De Arco, Lewis; Zhang, Yi; Schlenker, Cody W.; Ryu, Koungmin; Thompson, Mark E.; Zhou, Chongwu

2010-01-01

We report the implementation of continuous, highly flexible, and transparent graphene films obtained by chemical vapor deposition (CVD) as transparent conductive electrodes (TCE) in organic photovoltaic cells. Graphene films were synthesized by CVD

Na+ -K+ -2Cl- Cotransporter (NKCC) Physiological Function in Nonpolarized Cells and Transporting Epithelia.

Science.gov (United States)

Delpire, Eric; Gagnon, Kenneth B

2018-03-25

Two genes encode the Na + -K + -2Cl - cotransporters, NKCC1 and NKCC2, that mediate the tightly coupled movement of 1Na + , 1K + , and 2Cl - across the plasma membrane of cells. Na + -K + -2Cl - cotransport is driven by the chemical gradient of the three ionic species across the membrane, two of them maintained by the action of the Na + /K + pump. In many cells, NKCC1 accumulates Cl - above its electrochemical potential equilibrium, thereby facilitating Cl - channel-mediated membrane depolarization. In smooth muscle cells, this depolarization facilitates the opening of voltage-sensitive Ca 2+ channels, leading to Ca 2+ influx, and cell contraction. In immature neurons, the depolarization due to a GABA-mediated Cl - conductance produces an excitatory rather than inhibitory response. In many cell types that have lost water, NKCC is activated to help the cells recover their volume. This is specially the case if the cells have also lost Cl - . In combination with the Na + /K + pump, the NKCC's move ions across various specialized epithelia. NKCC1 is involved in Cl - -driven fluid secretion in many exocrine glands, such as sweat, lacrimal, salivary, stomach, pancreas, and intestine. NKCC1 is also involved in K + -driven fluid secretion in inner ear, and possibly in Na + -driven fluid secretion in choroid plexus. In the thick ascending limb of Henle, NKCC2 activity in combination with the Na + /K + pump participates in reabsorbing 30% of the glomerular-filtered Na + . Overall, many critical physiological functions are maintained by the activity of the two Na + -K + -2Cl - cotransporters. In this overview article, we focus on the functional roles of the cotransporters in nonpolarized cells and in epithelia. © 2018 American Physiological Society. Compr Physiol 8:871-901, 2018. Copyright © 2018 American Physiological Society. All rights reserved.

Passive sampling of bioavailable organic chemicals in Perry County, Missouri cave streams.

Science.gov (United States)

Fox, J Tyler; Adams, Ginny; Sharum, Martin; Steelman, Karen L

2010-12-01

Two types of passive samplers--semipermeable membrane devices (SPMDs) and polar organic chemical integrative samplers (POCIS)--were deployed in spring 2008 to assess bioavailable concentrations of aquatic contaminants in five cave streams and resurgences in Perry County, Missouri. Study sites represent areas of high cave biodiversity and the only known habitat for grotto sculpin (Cottus carolinae). Time-weighted average (TWA) water concentrations were calculated for 20 compounds (n = 9 SPMDs; n = 11 POCIS) originating primarily from agricultural sources, including two organochlorine insecticides, dieldrin and heptachlor epoxide, which were found at levels exceeding U.S. EPA criteria for the protection of aquatic life. GIS data were used to quantify and map sinkhole distribution and density within the study area. Infiltration of storm runoff and its influence on contaminant transport were also evaluated using land cover and hydrological data. This work provides evidence of cave stream contamination by a mix of organic chemicals and demonstrates the applicability of passive samplers for monitoring water quality in dynamic karst environments where rapid transmission of storm runoff makes instantaneous water sampling difficult.

Short-term effects of different organic amendments on soil chemical, biochemical and biological indicators

Science.gov (United States)

Mondelli, Donato; Aly, Adel; Yirga Dagnachew, Ababu; Piscitelli, Lea; Dumontet, Stefano; Miano, Teodoro

2014-05-01

The limited availability of animal manure and the high cost of good quality compost lead to difficult soil quality management under organic agriculture. Therefore, it is important to find out alternative organic soil amendments and more flexible strategies that are able to sustain crop productivity and maintain and enhance soil quality. A three years study was carried out in the experimental fields of the Mediterranean Agronomic Institute of Bari located in Valenzano, Italy. The main objective of this research is to investigate the effects of different fertility management strategies on soil quality in order to estimate the role of innovative matrices for their use in organic farming. The experiment consists of seven treatments applied to a common crop rotation. The treatments include alternative organic amendments (1- olive mill wastewater OMW, 2- residues of mushroom cultivation MUS, 3- coffee chaff COF), common soil amendments (4- compost COM, 5- faba bean intercropping LEG, 6- cow manure - MAN) and as a reference treatment (7- mineral fertilizer COV). The soil quality was assessed before and after the application of the treatments, through biological (microbial biomass carbon and nitrogen, soil respiration and metabolic quotient), biochemical (soil enzymatic activities: β-glucosidase, alkaline phospatase, urease, fluorescein diacetate (FDA) hydrolysis), and chemical (pH, soil organic carbon, soil organic matter, total nitrogen, available phosphorous, exchangeable potassium, dissolved organic carbon and total dissolved nitrogen) indicators. Based on the results obtained after the second year, all treatments were able to improve various soil chemical parameters as compared to mineral fertilizer. The incorporation of COF and OMW seemed to be more effective in improving soil total N and exchangeable K, while MAN significantly increased available P. All the amendments enhance dissolved organic C, soil respiration, microbial biomass and metabolic quotient as

Improved exposure estimation in soil screening and cleanup criteria for volatile organic chemicals.

Science.gov (United States)

DeVaull, George E

2017-09-01

Soil cleanup criteria define acceptable concentrations of organic chemical constituents for exposed humans. These criteria sum the estimated soil exposure over multiple pathways. Assumptions for ingestion, dermal contact, and dust exposure generally presume a chemical persists in surface soils at a constant concentration level for the entire exposure duration. For volatile chemicals, this is an unrealistic assumption. A calculation method is presented for surficial soil criteria that include volatile depletion of chemical for these uptake pathways. The depletion estimates compare favorably with measured concentration profiles and with field measurements of soil concentration. Corresponding volatilization estimates compare favorably with measured data for a wide range of volatile and semivolatile chemicals, including instances with and without the presence of a mixed-chemical residual phase. Selected examples show application of the revised factors in estimating screening levels for benzene in surficial soils. Integr Environ Assess Manag 2017;13:861-869. © 2017 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC). © 2017 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

Chemical Reactions Catalyzed by Metalloporphyrin-Based Metal-Organic Frameworks

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Kelly Aparecida Dias de Freitas Castro

2013-06-01

Full Text Available The synthetic versatility and the potential application of metalloporphyrins (MP in different fields have aroused researchers’ interest in studying these complexes, in an attempt to mimic biological systems such as cytochrome P-450. Over the last 40 years, synthetic MPs have been mainly used as catalysts for homogeneous or heterogeneous chemical reactions. To employ them in heterogeneous catalysis, chemists have prepared new MP-based solids by immobilizing MP onto rigid inorganic supports, a strategy that affords hybrid inorganic-organic materials. More recently, materials obtained by supramolecular assembly processes and containing MPs as building blocks have been applied in a variety of areas, like gas storage, photonic devices, separation, molecular sensing, magnets, and heterogeneous catalysis, among others. These coordination polymers, known as metal-organic frameworks (MOFs, contain organic ligands or complexes connected by metal ions or clusters, which give rise to a 1-, 2- or 3-D network. These kinds of materials presents large surface areas, Brønsted or redox sites, and high porosity, all of which are desirable features in catalysts with potential use in heterogeneous phases. Building MOFs based on MP is a good way to obtain solid catalysts that offer the advantages of bioinspired systems and zeolitic materials. In this mini review, we will adopt a historical approach to present the most relevant MP-based MOFs applicable to catalytic reactions such as oxidation, reduction, insertion of functional groups, and exchange of organic functions.

Organic and chemical manure of the bean (Phaseolus vulgaris) in alluvial soils of intermediate climate

International Nuclear Information System (INIS)

Tamayo V, Alvaro; Munoz A, Rodrigo

1997-01-01

With the purpose to evaluate the effect on bean production ICA CITARA variety, four sources of organic matter (hen manure, pig manure, cow manure, and earthworm manure) in four doses 280,500 y 1.000 kg/ha with the same doses of chemical fertilization, were evaluated the experiment was carried out at Tulio Ospina Research Center, located at Bello (Antioquia) of medium climate with 1.320 m.s.n.m. This was established using an alluvial soil (Tropofluvent), frenk, with low contents of organic, matter (2,2%), phosphorus (10 ppm), and potassium (0,10 meq/l00 g). the results, after six consecutive harvests on the same plots, showed highly significative differences among treatments. The highest yield (1.836 kg/ha) was obtained when to the chemical fertilization (300 kg of 10-30-10) was added with 250 kg/ha of hen manure, followed by the application of 100 kg/ha, of cow manure (1.812 kg/ha). Chemical fertilization without organic matter produced 1.640 kg/ha of bean, which was very similar to the addition of 1.000 kg/ha of cow manure and earthworm manure with yields of 1.688 kg/ha and 1.635 kg/ha respectively

Organic Acids Regulation of Chemical-Microbial Phosphorus Transformations in Soils.

Science.gov (United States)

Menezes-Blackburn, Daniel; Paredes, Cecilia; Zhang, Hao; Giles, Courtney D; Darch, Tegan; Stutter, Marc; George, Timothy S; Shand, Charles; Lumsdon, David; Cooper, Patricia; Wendler, Renate; Brown, Lawrie; Blackwell, Martin; Wearing, Catherine; Haygarth, Philip M

2016-11-01

We have used an integrated approach to study the mobility of inorganic phosphorus (P) from soil solid phase as well as the microbial biomass P and respiration at increasing doses of citric and oxalic acid in two different soils with contrasting agronomic P status. Citric or oxalic acids significantly increased soil solution P concentrations for doses over 2 mmol kg -1 . However, low organic acid doses (<2 mmol kg -1 ) were associated with a steep increase in microbial biomass P, which was not seen for higher doses. In both soils, treatment with the tribasic citric acid led to a greater increase in soil solution P than the dibasic oxalic acid, likely due to the rapid degrading of oxalic acids in soils. After equilibration of soils with citric or oxalic acids, the adsorbed-to-solution distribution coefficient (K d ) and desorption rate constants (k -1 ) decreased whereas an increase in the response time of solution P equilibration (T c ) was observed. The extent of this effect was shown to be both soil and organic acid specific. Our results illustrate the critical thresholds of organic acid concentration necessary to mobilize sorbed and precipitated P, bringing new insight on how the exudation of organic acids regulate chemical-microbial soil phosphorus transformations.

Controlling organic chemical hazards in food manufacturing: a hazard analysis critical control points (HACCP) approach.

Science.gov (United States)

Ropkins, K; Beck, A J

2002-08-01

Hazard analysis by critical control points (HACCP) is a systematic approach to the identification, assessment and control of hazards. Effective HACCP requires the consideration of all hazards, i.e., chemical, microbiological and physical. However, to-date most 'in-place' HACCP procedures have tended to focus on the control of microbiological and physical food hazards. In general, the chemical component of HACCP procedures is either ignored or limited to applied chemicals, e.g., food additives and pesticides. In this paper we discuss the application of HACCP to a broader range of chemical hazards, using organic chemical contaminants as examples, and the problems that are likely to arise in the food manufacturing sector. Chemical HACCP procedures are likely to result in many of the advantages previously identified for microbiological HACCP procedures: more effective, efficient and economical than conventional end-point-testing methods. However, the high costs of analytical monitoring of chemical contaminants and a limited understanding of formulation and process optimisation as means of controlling chemical contamination of foods are likely to prevent chemical HACCP becoming as effective as microbiological HACCP.

78 FR 37222 - Columbia Organic Chemical Company Site, Columbia, Richland County, South Carolina; Notice of...

Science.gov (United States)

2013-06-20

... Protection Agency (EPA). ACTION: Notice of Settlement. SUMMARY: Under 122(h) of the Comprehensive... Agency has entered into a settlement with Stephen Reichlyn concerning the Columbia Organic Chemical...

Controlled growth of epitaxial CeO2 thin films with self-organized nanostructure by chemical solution method

DEFF Research Database (Denmark)

Yue, Zhao; Grivel, Jean-Claude

2013-01-01

Chemical solution deposition is a versatile technique to grow oxide thin films with self-organized nanostructures. Morphology and crystallographic orientation control of CeO2 thin films grown on technical NiW substrates by a chemical solution deposition method are achieved in this work. Based...

Relative importance of microplastics as a pathway for the transfer of hydrophobic organic chemicals to marine life

NARCIS (Netherlands)

Bakir, A.; O'Connor, I.A.; Rowland, S.J.; Hendriks, A.J.; Thompson, R.C.

2016-01-01

It has been hypothesised that, if ingested, plastic debris could act as vector for the transfer of chemical contaminants from seawater to organisms, yet modelling suggest that, in the natural environment, chemical transfer would be negligible compared to other routes of uptake. However, to date, the

Effect of Organic Vapour on Porous Alumina Based Moisture Sensor in Dry Gases

Directory of Open Access Journals (Sweden)

Saakshi DHANEKAR

2009-08-01

Full Text Available A capacitive porous alumina based trace moisture sensor in the range of 50 to 500 ppm (V was fabricated by low cost sol-gel technique. The cross-sensitivities due to the presence of organic vapours like ethanol, methanol, acetone and benzene were studied. The change in response and recovery time with ppm for moisture sensing was also calculated. The experimental results conclude that moisture sensor is responsive to the polar organic vapours but has almost negligible response to the nonpolar molecules like benzene. Response of the sensor to the organic vapours as compared to the moisture sensitivity is very less. The effect of ambient temperature was found to be negligible.

The flotation of Roşia Poieni copper ore in column machine, with non-polar oils addition

Directory of Open Access Journals (Sweden)

Ciocani V.

2005-11-01

Full Text Available The most important natural resource of copper in Romania is the ore deposit of Roşia Poieni. At present, the utilization of Roşia Poieni poorphyry copper ore is possible by extraction in quarry of the mass ore and mineral processing into a technological flux with modest results for the value of metal recovery in concentrate 70-72 % and an average contents of 16,5 % Cu. Our researches were directed to studies regarding test and utilisation of special procedure of flotation – addition of the non-polar oil – applied to advanced grinding ore with column type machines.

Control of neuronal network organization by chemical surface functionalization of multi-walled carbon nanotube arrays

International Nuclear Information System (INIS)

Liu Jie; Bibari, Olivier; Marchand, Gilles; Benabid, Alim-Louis; Sauter-Starace, Fabien; Appaix, Florence; De Waard, Michel

2011-01-01

Carbon nanotube substrates are promising candidates for biological applications and devices. Interfacing of these carbon nanotubes with neurons can be controlled by chemical modifications. In this study, we investigated how chemical surface functionalization of multi-walled carbon nanotube arrays (MWNT-A) influences neuronal adhesion and network organization. Functionalization of MWNT-A dramatically modifies the length of neurite fascicles, cluster inter-connection success rate, and the percentage of neurites that escape from the clusters. We propose that chemical functionalization represents a method of choice for developing applications in which neuronal patterning on MWNT-A substrates is required.

Control of neuronal network organization by chemical surface functionalization of multi-walled carbon nanotube arrays

Energy Technology Data Exchange (ETDEWEB)

Liu Jie; Bibari, Olivier; Marchand, Gilles; Benabid, Alim-Louis; Sauter-Starace, Fabien [CEA, LETI-Minatec, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Appaix, Florence; De Waard, Michel, E-mail: fabien.sauter@cea.fr, E-mail: michel.dewaard@ujf-grenoble.fr [Inserm U836, Grenoble Institute of Neuroscience, Site Sante la Tronche, Batiment Edmond J Safra, Chemin Fortune Ferrini, BP170, 38042 Grenoble Cedex 09 (France)

2011-05-13

Carbon nanotube substrates are promising candidates for biological applications and devices. Interfacing of these carbon nanotubes with neurons can be controlled by chemical modifications. In this study, we investigated how chemical surface functionalization of multi-walled carbon nanotube arrays (MWNT-A) influences neuronal adhesion and network organization. Functionalization of MWNT-A dramatically modifies the length of neurite fascicles, cluster inter-connection success rate, and the percentage of neurites that escape from the clusters. We propose that chemical functionalization represents a method of choice for developing applications in which neuronal patterning on MWNT-A substrates is required.

Effect of Organic Solvents in Preparation of Silica-Based Chemical Gel Decontaminates for Decontamination of Nuclear Facilities

International Nuclear Information System (INIS)

Yoon, Suk Bon; Jung, Chong Hun; Kim, Chang Ki; Choi, Byung Seon; Lee, Kune Woo; Moon, Jei Kwon

2011-01-01

Decontamination of nuclear facilities is necessary to reduce the radiation field during normal operations and decommissioning of complex equipment such as stainless steel components, other iron-based steel and alloys, metal surfaces, structural materials and so on. Chemical decontamination technology in particular is a highly effective method to remove the radioactive contamination through a chemical dissolution or a redox reaction. However, this method has the serious drawback due to the generation of large amounts of the radioactive liquid wastes. Recently, a few literatures have been reported for the preparation of the chemical gel decontaminants to reduce the amount of the radioactive liquid wastes and to enhance the decontamination efficiency through increasing the contact time between the gels and the radioactive contaminants. In the preparation of the chemical gels, the control of the viscosity highly depends on the amount of a coviscosifier used among the components of the chemical gels consisted of a viscosifier, a coviscosifier, and a chemical decontaminant. In this works, a new effective method for the preparation of the chemical gel was investigated by introducing the organic solvents. The mixture solution of the coviscosifier and organic solvent was more effective in the control of the viscosity compared with that of the coviscosifier only in gels. Furthermore, the decontamination efficiency of the chemical gels measured by using the multi-channel analyzer (MCA) showed the high decontamination factor for Co-60 and Cs-137 contaminated on the surface of the stainless steel 304

Solvent extraction of thorium(IV) with dibutyldithiophosphoric acid in various organic solvents

International Nuclear Information System (INIS)

Curtui, M.; Haiduc, I.

1994-01-01

The extraction of thorium(IV) from perchlorate solutions with di-n-butyldithiophosphoric acid (HBudtp) in various organic solvents occurs through an ion exchange mechanism. The extracted species in the organic phase is an eight-coordinate complex Th(Budtp) 4 . The higher values of the distribution ratio obtained in HBudtp-benzene-water system than in HBudtp-n-butanol-water system are explained by higher solubility of the complex species in nonpolar solvents. The position of the extraction curves in the pH-range lower than 0.7 reduces the complexation of thorium(IV) with Budtp - in the aqueous phase and also the hydrolysis process. (author) 8 refs.; 4 figs.; 1 tab

Non-polarized cytokine profile of a long-term non-progressor HIV infected patient.

Science.gov (United States)

Pina, Ana Flávia; Matos, Vanessa Terezinha Gubert de; Bonin, Camila Mareti; Dal Fabbro, Márcia Maria Ferrairo Janini; Tozetti, Inês Aparecida

The HIV-1 initial viral infection may present diverse clinical and laboratory course and lead to rapid, intermediate, or long-term progression. Among the group of non-progressors, the elite controllers are those who control the infection most effectively, in the absence of antiretroviral therapy (ART). In this paper, the TH1, TH2 and TH17 cytokines profiles are described, as well as clinical and laboratory aspects of an HIV-infected patient with undetectable viral load without antiretroviral therapy. Production of IL-6, IL-10, TNF-α, IFN-γ, and IL-17 was detected; in contrast IL-4 was identified. Host-related factors could help explain such a level of infection control, namely the differentiated modulation of the cellular immune response and a non-polarized cytokine response of the TH1 and TH2 profiles. Copyright © 2018 Sociedade Brasileira de Infectologia. Published by Elsevier Editora Ltda. All rights reserved.

Chemical principles underpinning the performance of the metal-organic framework HKUST-1.

Science.gov (United States)

Hendon, Christopher H; Walsh, Aron

2015-07-15

A common feature of multi-functional metal-organic frameworks is a metal dimer in the form of a paddlewheel, as found in the structure of Cu 3 ( btc ) 2 (HKUST-1). The HKUST-1 framework demonstrates exceptional gas storage, sensing and separation, catalytic activity and, in recent studies, unprecedented ionic and electrical conductivity. These results are a promising step towards the real-world application of metal-organic materials. In this perspective, we discuss progress in the understanding of the electronic, magnetic and physical properties of HKUST-1, representative of the larger family of Cu···Cu containing metal-organic frameworks. We highlight the chemical interactions that give rise to its favourable properties, and which make this material well suited to a range of technological applications. From this analysis, we postulate key design principles for tailoring novel high-performance hybrid frameworks.

Biotransformation of trace organic chemicals during groundwater recharge: How useful are first-order rate constants?

KAUST Repository

Regnery, J.; Wing, A.D.; Alidina, M.; Drewes, J.E.

2015-01-01

This study developed relationships between the attenuation of emerging trace organic chemicals (TOrC) during managed aquifer recharge (MAR) as a function of retention time, system characteristics, and operating conditions using controlled laboratory

Chemical Annealing of Zinc Tetraphenylporphyrin Films: Effects on Film Morphology and Organic Photovoltaic Performance

KAUST Repository

Trinh, Cong; Whited, Matthew T.; Steiner, Andrew; Tassone, Christopher J.; Toney, Michael F.; Thompson, Mark E.

2012-01-01

We present a chemical annealing process for organic thin films. In this process, a thin film of a molecular material, such as zinc tetraphenylporphyrin (ZnTPP), is exposed to a vapor of nitrogen-based ligand (e.g., pyrazine, pz, and triazine, tz

QM/MM investigations of organic chemistry oriented questions.

Science.gov (United States)

Schmidt, Thomas C; Paasche, Alexander; Grebner, Christoph; Ansorg, Kay; Becker, Johannes; Lee, Wook; Engels, Bernd

2014-01-01

About 35 years after its first suggestion, QM/MM became the standard theoretical approach to investigate enzymatic structures and processes. The success is due to the ability of QM/MM to provide an accurate atomistic picture of enzymes and related processes. This picture can even be turned into a movie if nuclei-dynamics is taken into account to describe enzymatic processes. In the field of organic chemistry, QM/MM methods are used to a much lesser extent although almost all relevant processes happen in condensed matter or are influenced by complicated interactions between substrate and catalyst. There is less importance for theoretical organic chemistry since the influence of nonpolar solvents is rather weak and the effect of polar solvents can often be accurately described by continuum approaches. Catalytic processes (homogeneous and heterogeneous) can often be reduced to truncated model systems, which are so small that pure quantum-mechanical approaches can be employed. However, since QM/MM becomes more and more efficient due to the success in software and hardware developments, it is more and more used in theoretical organic chemistry to study effects which result from the molecular nature of the environment. It is shown by many examples discussed in this review that the influence can be tremendous, even for nonpolar reactions. The importance of environmental effects in theoretical spectroscopy was already known. Due to its benefits, QM/MM can be expected to experience ongoing growth for the next decade.In the present chapter we give an overview of QM/MM developments and their importance in theoretical organic chemistry, and review applications which give impressions of the possibilities and the importance of the relevant effects. Since there is already a bunch of excellent reviews dealing with QM/MM, we will discuss fundamental ingredients and developments of QM/MM very briefly with a focus on very recent progress. For the applications we follow a similar

Chemical-Structural Changes of Organic Matter in a Semi-Arid Soil After Organic Amendment

Institute of Scientific and Technical Information of China (English)

C.NICOL(A)S; G.MASCIANDARO; T.HERN(A)NDEZ; C.GARCIA

2012-01-01

A 9-month incubation experiment using composted and non-composted amendments derived from vine pruning waste and sewage sludge was carried out to study the effects of the nature and stability of organic amendments on the structural composition of organic matter (OM) in a semi-arid soil. The changes of soil OM,both in the whole soil and in the extractable carbon with pyrophosphate,were evaluated by pyrolysis-gas chromatography and chemical analyses.By the end of the experiment,the soils amended with pruning waste exhibited less organic carbon loss than those receiving sewage sludge.The non-composted residues increased the aliphatic-pyrolytic products of the OM,both in the whole soil and also in the pyrophosphate extract,with the products derived from peptides and proteins being significantly higher.After 9 months,in the soils amended with pruning waste the relative abundance of phenolic-pyrolytic products derived from phenolic compounds,lignin and proteins in the whole soil tended to increase more than those in the soils amended with sewage sludge.However,the extractable OM with pyrophosphate in the soils amended with composted residues tended to have higher contents of these phenolic-pyrolytic products than that in non-composted ones.Thus,despite the stability of pruning waste,the composting of this material promoted the incorporation of phenolic compounds to the soil OM.The pyrolytic indices (furfural/pyrrole and aliphatic/aromatic ratios) showed the diminution of aliphatic compounds and the increase of aromatic compounds,indicating the stabilization of the OM in the amended soils after 9 months.In conclusion,the changes of soil OM depend on the nature and stability of the organic amendments,with composted vine pruning waste favouring humification.

Chemical composition of phytoplankton and Particulate Organic Matter in the Ría de Vigo (NW Spain

Directory of Open Access Journals (Sweden)

A. F. Ríos

1998-09-01

Full Text Available Elemental (C, H, O, N, Si, P and biochemical composition (proteins, carbohydrates, lipids, phosphorus compounds, chlorophyll and opal in particulate organic matter, diatoms, other autotrophs, heterotrophs and detritus from natural plankton were established simultaneously by measuring relatively few components. Using standard techniques in marine chemistry on board ship, it is possible to infer a great deal about the composition and condition of the plankton. In addition, the organic matter content in terms of cell volume was determined for each group of plankton. Variation of chemical composition with depth was also considered. The ratio carbohydrates/lipids (Cbh/Lip was used as an indicator of the chemical quality of the plankton.

Behavioral and electroencephalographic evaluation of the anticonvulsive activity of Moringa oleifera leaf non-polar extracts and one metabolite in PTZ-induced seizures.

Science.gov (United States)

González-Trujano, María Eva; Martínez-González, Claudia Lizbeth; Flores-Carrillo, Maricela; Luna-Nophal, Sara Ibeth; Contreras-Murillo, Gerardo; Magdaleno-Madrigal, Víctor Manuel

2018-01-15

Moringa oleifera Lamarck is a species that has long been used in high demand in folk medicine, including for the treatment of epilepsy. Nevertheless, scientific studies demonstrating its anticonvulsant properties and the nature of the bioactive constituents are lacking. The aim of this study was to evaluate the anticonvulsant activities of the Moringa oleifera leaves in non-polar vs. polar extracts using behavioral and electroencephalographic (EEG) analyses in rodents. First, PTZ (80 mg/kg, i.p.)-induced tonic-clonic seizures were assayed via a dose-response (100, 200 and 300 mg/kg, i.p.) evaluation in mice. Then, a dosage of the extracts (100 or 300 mg/kg) and one metabolite (30 mg/kg, i.p.) was selected to evaluate its effect on PTZ (35 mg/kg, i.p.)-induced EEG paroxystic activities in rats compared to the effects of ethosuximide (reference anticonvulsant drug, 100 mg/kg, i.p.). Latent onset of the first paroxystic spike, first seizure and frequency as well as seizure severity, were determined using Racine's scale. Moringa oleifera ethanol and hexane extracts produced a delay in the seizure latency in mice and rats; this effect was improved in the presence of the hexane extract containing the active metabolite hexadecanoic acid. The anticonvulsant effects were corroborated in the spectral analysis by the potency of the EEG due to a reduction in the spike frequency and amplitude, as well as in the duration and severity of the seizures. The effects of the hexane extract resembled those observed in the reference antiepileptic drug ethosuximide. Moringa oleifera leaves possess anticonvulsant activities due to the complementary of the non-polar and polar constituents. However, the non-polar constituents appear to exert an important influence via the partial participation of fatty acids, providing evidence of the effects of this plant in epilepsy therapy. Copyright © 2017. Published by Elsevier GmbH.

Toxicity of organic chemical pollution in groundwater downgradient of a landfill (Grindsted, Denmark)

DEFF Research Database (Denmark)

Baun, Anders; Jensen, S. D.; Bjerg, Poul Løgstrup

2000-01-01

The aim of the present study was to describe the occurrence and distribution of toxicity related to organic chemical contaminants in the leachate plume downgradient of the Grindsted Landfill (Denmark). A total of 27 groundwater samples were preconcentrated by solidphase extraction (SPE) using XAD-2...... bioassays, it was concluded that SPE extracts of groundwater collected close to the landfill were toxic. The toxicity decreased with the distance from the landfill. At distances greater than 80 m from the border of the landfill, the groundwater toxicity was not significantly different from the background...... characterization and hazard ranking of groundwater polluted with complex chemical mixtures, such as landfill leachates....

Influence of Wetting and Mass Transfer Properties of Organic Chemical Mixtures in Vadose Zone Materials on Groundwater Contamination by Nonaqueous Phase Liquids

Energy Technology Data Exchange (ETDEWEB)

Charles J Werth; Albert J Valocchi, Hongkyu Yoon

2011-05-21

Previous studies have found that organic acids, organic bases, and detergent-like chemicals change surface wettability. The wastewater and NAPL mixtures discharged at the Hanford site contain such chemicals, and their proportions likely change over time due to reaction-facilitated aging. The specific objectives of this work were to (1) determine the effect of organic chemical mixtures on surface wettability, (2) determine the effect of organic chemical mixtures on CCl4 volatilization rates from NAPL, and (3) accurately determine the migration, entrapment, and volatilization of organic chemical mixtures. Five tasks were proposed to achieve the project objectives. These are to (1) prepare representative batches of fresh and aged NAPL-wastewater mixtures, (2) to measure interfacial tension, contact angle, and capillary pressure-saturation profiles for the same mixtures, (3) to measure interphase mass transfer rates for the same mixtures using micromodels, (4) to measure multiphase flow and interphase mass transfer in large flow cell experiments, all using the same mixtures, and (5) to modify the multiphase flow simulator STOMP in order to account for updated P-S and interphase mass transfer relationships, and to simulate the impact of CCl4 in the vadose zone on groundwater contamination. Results and findings from these tasks and summarized in the attached final report.

Changes in soil chemical and microbiological properties during 4 years of application of various organic residues.

Science.gov (United States)

Odlare, M; Pell, M; Svensson, K

2008-01-01

A 4-year field trial was established in eastern Sweden to evaluate the effects of organic waste on soil chemical and microbiological variables. A simple crop rotation with barley and oats was treated with either compost from household waste, biogas residue from household waste, anaerobically treated sewage sludge, pig manure, cow manure or mineral fertilizer. All fertilizers were amended in rates corresponding to 100kgNha(-1)year(-1). The effects of the different types of organic waste were evaluated by subjecting soil samples, taken each autumn 4 weeks after harvest, to an extensive set of soil chemical (pH, Org-C, Tot-N, Tot-P, Tot-S, P-AL, P-Olsen, K-AL, and some metals) and microbiological (B-resp, SIR, microSIR active and dormant microorganisms, PDA, microPDA, PAO, Alk-P and N-min) analyses. Results show that compost increased pH, and that compost as well as sewage sludge increased plant available phosphorus; however, the chemical analysis showed few clear trends over the 4 years and few clear relations to plant yield or soil quality. Biogas residues increased substrate induced respiration (SIR) and, compared to the untreated control amendment of biogas residues as well as compost, led to a higher proportion of active microorganisms. In addition, biogas residues increased potential ammonia oxidation rate (PAO), nitrogen mineralization capacity (N-min) as well as the specific growth rate constant of denitrifiers (microPDA). Despite rather large concentrations of heavy metals in some of the waste products, no negative effects could be seen on either chemical or microbiological soil properties. Changes in soil microbial properties appeared to occur more rapidly than most chemical properties. This suggests that soil microbial processes can function as more sensitive indicators of short-term changes in soil properties due to amendment of organic wastes.

Defects of polar, semipolar and nonpolar (In)GaN - a comparison

Energy Technology Data Exchange (ETDEWEB)

Schade, Lukas; Schwarz, Ulrich [Department of Microsystems Engeneering, IMTEK, University Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (Germany); Wernicke, Tim; Rass, Jens; Ploch, Simon [Institute of Solid State Physics, Technical University Berlin (Germany); Forghani, Kamran [Institute for Optoelectronics, University Ulm (Germany); University of Wisconsin, Madison (United States); Kirste, Lutz [Fraunhofer Institute for Applied Solid State Physics (Germany); Weyers, Markus [Ferdinand-Braun-Institut, Berlin (Germany); Kneissl, Michael [Institute of Solid State Physics, Technical University Berlin (Germany); Ferdinand-Braun-Institut, Berlin (Germany); Scholz, Ferdinand [Institute for Optoelectronics, University Ulm (Germany)

2013-07-01

The GaN/InGaN material system is used to realize light emitting diodes from UV-A to the green-yellow spectral region. However, even on quasi bulk GaN substrates threading dislocations (TDs) are present with a density of 10{sup 7} cm{sup -2}. Here, we examine the influence of TDs on the luminescence intensity and transition energy. The impact caused by nonradiative recombination centers and strain fields is analyzed by micro photoluminescence and white light interferometry. We compare TDs in differently oriented GaN layers and InGaN QWs. Three types of burgers vectors are typically observed in GaN: a, c and a+c. When the surface orientation is changed from (0001) c-plane to (10 anti 10) m-plane, their character changes from edge to screw type and vice versa. We studied TDs and V-defects associated to them in polar, semipolar and nonpolar GaN and InGaN QWs. Additionally, we will present the effect of Si doping onto the strain field in (0001) GaN edge dislocations. In undoped GaN, the strain around such a dislocation forms a symmetric dipole. With Si doping, the strain dipole becomes asymmetric.

On the spallation of a polarized photon on a nonpolarized electron

International Nuclear Information System (INIS)

Bozrikov, P.V.; Kopytov, G.F.

1978-01-01

Considered is the process of the spallation of a polarized photon of the plane electromagnet wave into two polarized photons on a nonpolarized electron. One of these photons is considered as an emitted one, another as a photon of a plane wave. The degrees of circular and linear polarization of the emitted photon are studied in detail. It is shown that the degree of linear polarization does not depend on the type of circular polarization of the initial plane wave photon. At a relativistic electron moving in the direction of the plane wave, totally linearly polarized radiation appears. The analogy between the following two processes is made: (1) γ 1 +e - → γ 2 + γ tilde +e' - (where γ 1 , γ 2 are photons of the plane wave, and γ tilde is an emitted photon) and (2) γ 1 +e - → γ 2 +γ 3 +e' - . From the correspondence between the processes it follows that the results of the investigation may be applied to the double Compton effect. Besides, it appears to be possible to study the correlation between polarization states of all three photons participating in the double Compton scattering

Chemical principles underpinning the performance of the metal–organic framework HKUST-1

Science.gov (United States)

Hendon, Christopher H.

2015-01-01

A common feature of multi-functional metal–organic frameworks is a metal dimer in the form of a paddlewheel, as found in the structure of Cu3(btc)2 (HKUST-1). The HKUST-1 framework demonstrates exceptional gas storage, sensing and separation, catalytic activity and, in recent studies, unprecedented ionic and electrical conductivity. These results are a promising step towards the real-world application of metal–organic materials. In this perspective, we discuss progress in the understanding of the electronic, magnetic and physical properties of HKUST-1, representative of the larger family of Cu···Cu containing metal–organic frameworks. We highlight the chemical interactions that give rise to its favourable properties, and which make this material well suited to a range of technological applications. From this analysis, we postulate key design principles for tailoring novel high-performance hybrid frameworks. PMID:28706713

Evaluation of Amazon fruits: chemical and nutritional studies on Borojoa sorbilis.

Science.gov (United States)

Rabelo Rodrigues, Francimilton; de Souza Ramos, Aline; Fernandes Amaral, Ana Claudia; Pinto Ferreira, José Luiz; da Silva Carneiro, Carla; Rocha de Andrade Silva, Jefferson

2018-01-31

Borojoa sorbilis (Ducke) is an Amazonian species with edible fruits that are widely consumed by the local population, but little studied and not yet economically explored. Thus the aim of this study was to describe the chemical composition, volatile compounds, nutritional aspects and antioxidant activity of the fruit pulp and peel of B. sorbilis. Headspace solid-phase microextraction, using polydimethylsiloxane-divinylbenzene (PDMS-DVB) fiber, resulted in the identification of 59 substances in the pulp and peel of B. sorbilis fruits after analysis of the chromatograms obtained by gas chromatography-mass spectrometry using polar and nonpolar columns. Esters were the most abundant. Moisture, lipids, protein, dietary fiber, ash, carbohydrate, total energy value, titratable acid, soluble solids and pH were measured. Protein amount, fat content and antioxidant activity were low in both pulp and peel. Carbohydrate content was 179.2 and 134.9 g kg -1 in pulp and peel, respectively. This is the first report on the chemical characteristics, flavor and nutritional aspects of B. sorbilis fruit, which is essential to its economic exploitation. The high energy value associated with the carbohydrate content, plus the low fat content, contribute to a possible use of B. sorbilis fruits as a food supplement. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Textile/metal-organic-framework composites as self-detoxifying filters for chemical-warfare agents.

Science.gov (United States)

López-Maya, Elena; Montoro, Carmen; Rodríguez-Albelo, L Marleny; Aznar Cervantes, Salvador D; Lozano-Pérez, A Abel; Cenís, José Luis; Barea, Elisa; Navarro, Jorge A R

2015-06-01

The current technology of air-filtration materials for protection against highly toxic chemicals, that is, chemical-warfare agents, is mainly based on the broad and effective adsorptive properties of hydrophobic activated carbons. However, adsorption does not prevent these materials from behaving as secondary emitters once they are contaminated. Thus, the development of efficient self-cleaning filters is of high interest. Herein, we report how we can take advantage of the improved phosphotriesterase catalytic activity of lithium alkoxide doped zirconium(IV) metal-organic framework (MOF) materials to develop advanced self-detoxifying adsorbents of chemical-warfare agents containing hydrolysable P-F, P-O, and C-Cl bonds. Moreover, we also show that it is possible to integrate these materials onto textiles, thereby combining air-permeation properties of the textiles with the self-detoxifying properties of the MOF material. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

In vitro to in vivo extrapolation of biotransformation rates for assessing bioaccumulation of hydrophobic organic chemicals in mammals.

Science.gov (United States)

Lee, Yung-Shan; Lo, Justin C; Otton, S Victoria; Moore, Margo M; Kennedy, Chris J; Gobas, Frank A P C

2017-07-01

Incorporating biotransformation in bioaccumulation assessments of hydrophobic chemicals in both aquatic and terrestrial organisms in a simple, rapid, and cost-effective manner is urgently needed to improve bioaccumulation assessments of potentially bioaccumulative substances. One approach to estimate whole-animal biotransformation rate constants is to combine in vitro measurements of hepatic biotransformation kinetics with in vitro to in vivo extrapolation (IVIVE) and bioaccumulation modeling. An established IVIVE modeling approach exists for pharmaceuticals (referred to in the present study as IVIVE-Ph) and has recently been adapted for chemical bioaccumulation assessments in fish. The present study proposes and tests an alternative IVIVE-B technique to support bioaccumulation assessment of hydrophobic chemicals with a log octanol-water partition coefficient (K OW ) ≥ 4 in mammals. The IVIVE-B approach requires fewer physiological and physiochemical parameters than the IVIVE-Ph approach and does not involve interconversions between clearance and rate constants in the extrapolation. Using in vitro depletion rates, the results show that the IVIVE-B and IVIVE-Ph models yield similar estimates of rat whole-organism biotransformation rate constants for hypothetical chemicals with log K OW  ≥ 4. The IVIVE-B approach generated in vivo biotransformation rate constants and biomagnification factors (BMFs) for benzo[a]pyrene that are within the range of empirical observations. The proposed IVIVE-B technique may be a useful tool for assessing BMFs of hydrophobic organic chemicals in mammals. Environ Toxicol Chem 2017;36:1934-1946. © 2016 SETAC. © 2016 SETAC.

Thermoluminescence as a complementary technique for the toxicological evaluation of chemicals in photosynthetic organisms

Energy Technology Data Exchange (ETDEWEB)

Repetto, Guillermo, E-mail: grepkuh@upo.es [Departamento de Biología Molecular e Ingeniería Bioquímica, Área de Toxicología, Universidad Pablo de Olavide, Carretera de Utrera km. 1, 41013 Seville (Spain); Zurita, Jorge L. [Departamento de Biología Molecular e Ingeniería Bioquímica, Área de Toxicología, Universidad Pablo de Olavide, Carretera de Utrera km. 1, 41013 Seville (Spain); Roncel, Mercedes; Ortega, José M. [Instituto de Bioquímica Vegetal y Fotosíntesis, Universidad de Sevilla-CSIC, Américo Vespucio 49, 41092 Seville (Spain)

2015-01-15

Highlights: • There are very few toxicological applications of thermoluminescence. • It is a luminescence emission induced by heating the sample in the dark. • It is useful for study the photosystem II function and the level of lipid peroxidation. - Abstract: Thermoluminescence is a simple technique very useful for studying electron transfer reactions on photosystem II (standard thermoluminescence) or the level of lipid peroxidation in membranes (high temperature thermoluminescence) in photosynthetic organisms. Both techniques were used to investigate the effects produced on Chlorella vulgaris cells by six compounds: the chemical intermediates bromobenzene and diethanolamine, the antioxidant propyl gallate, the semiconductor indium nitrate, the pesticide sodium monofluoroacetate and the antimalarial drug chloroquine. Electron transfer activity of the photosystem II significantly decreased after the exposure of Chlorella cells to all the six chemicals used. Lipid peroxidation was slightly decreased by the antioxidant propyl gallate, not changed by indium nitrate and very potently stimulated by diethanolamine, chloroquine, sodium monofluoroacetate and bromobenzene. For five of the chemicals studied (not bromobenzene) there is a very good correlation between the cytotoxic effects in Chlorella cells measured by the algal growth inhibition test, and the inhibition of photosystem II activity. The results suggest that one very important effect of these chemicals in Chlorella cells is the inhibition of photosynthetic metabolism by the blocking of photosystem II functionality. In the case of sodium monofluoroacetate, diethanolamine and chloroquine this inhibition seems to be related with the induction of high level of lipid peroxidation in cells that may alter the stability of photosystem II. The results obtained by both techniques supply information that can be used as a supplement to the growth inhibition test and allows a more complete assessment of the effects of

Thermoluminescence as a complementary technique for the toxicological evaluation of chemicals in photosynthetic organisms

International Nuclear Information System (INIS)

Repetto, Guillermo; Zurita, Jorge L.; Roncel, Mercedes; Ortega, José M.

2015-01-01

Highlights: • There are very few toxicological applications of thermoluminescence. • It is a luminescence emission induced by heating the sample in the dark. • It is useful for study the photosystem II function and the level of lipid peroxidation. - Abstract: Thermoluminescence is a simple technique very useful for studying electron transfer reactions on photosystem II (standard thermoluminescence) or the level of lipid peroxidation in membranes (high temperature thermoluminescence) in photosynthetic organisms. Both techniques were used to investigate the effects produced on Chlorella vulgaris cells by six compounds: the chemical intermediates bromobenzene and diethanolamine, the antioxidant propyl gallate, the semiconductor indium nitrate, the pesticide sodium monofluoroacetate and the antimalarial drug chloroquine. Electron transfer activity of the photosystem II significantly decreased after the exposure of Chlorella cells to all the six chemicals used. Lipid peroxidation was slightly decreased by the antioxidant propyl gallate, not changed by indium nitrate and very potently stimulated by diethanolamine, chloroquine, sodium monofluoroacetate and bromobenzene. For five of the chemicals studied (not bromobenzene) there is a very good correlation between the cytotoxic effects in Chlorella cells measured by the algal growth inhibition test, and the inhibition of photosystem II activity. The results suggest that one very important effect of these chemicals in Chlorella cells is the inhibition of photosynthetic metabolism by the blocking of photosystem II functionality. In the case of sodium monofluoroacetate, diethanolamine and chloroquine this inhibition seems to be related with the induction of high level of lipid peroxidation in cells that may alter the stability of photosystem II. The results obtained by both techniques supply information that can be used as a supplement to the growth inhibition test and allows a more complete assessment of the effects of

Liquid electrolyte positioning along the device channel influences the operation of Organic Electro-Chemical Transistors

KAUST Repository

D'angelo, Pasquale; Coppedè , Nicola; Tarabella, Giuseppe; Romeo, Agostino; Gentile, Francesco T.; Iannotta, Salvatore; Di Fabrizio, Enzo M.; Mosca, Roberto

2014-01-01

In this work, we show the influence of the liquid electrolyte adsorption by porous films made of poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), PEDOT:PSS, on the operation of an Organic Electro-Chemical Transistor with an active channel

Comparison of Organic and Chemical Inputs on Different Densities of Echium amoenum Fisch & Mey. in Mashhad Conditions

Directory of Open Access Journals (Sweden)

Mohamad Behzad Amiri

2017-02-01

of many studies on the effect of organic fertilizers and plant density on different crops, information on the effects of these factors for many medicinal plants is scarce. Therefore, in this study the effect of organic fertilizers and plant density on morphological characteristics and yield of Echium amoenum was studied in a low input cropping system. Materials and methods: In order to evaluate the plant density and comparison of organic and chemical fertilizers on Iranian Ox-Tongue (Echium amoenum, a split plots experiment in time based on RCBD design with three replications was conducted in 2011-2014 growing seasons, in Ferdowsi University of Mashhad, Iran. The main plots included factorial combination of 3 plant densities (3, 5 and 10 plants per m2 and 4 different types of organic and chemical fertilizers (compost, vermicompost, cow manure, nitrogen chemical fertilizer and control and the sub plots included agronomic years (2 and 3 agronomic years. Results and discussion:The results showed that the effect of plant density on dry flower yield was significant, so that the highest dry flower yield (816 kg.ha-1 obtained for 5 plants per m2 and in this treatment dry flower yield was 23% and 15% more than 3 and 10 plants per m2 treatments, respectively. In both of agronomic years, effect of different organic and chemical fertilizers was intensified in 5 plants per m2, for example in second agronomic year, compost in 5 plants per m2 increased seed yield 30 and 25% compared to 3 and 10 plants per m2 densities, respectively. Although the use of chemical fertilizers to improve yield and yield components of Iranian Ox-Tongue was no ineffective, its impacts was much less than organic fertilizers. In general, the results of this research showed that the use of organic fertilizers in optimal plant densities can be reducing environmental risks of chemical fertilizers and develop sustainable agriculture and protect the health of the products. Organic fertilizers are among the

Comparison of Organic and Chemical Inputs on Different Densities of Echium amoenum Fisch & Mey. in Mashhad Conditions

Directory of Open Access Journals (Sweden)

Mohamad Behzad Amiri

2017-09-01

of many studies on the effect of organic fertilizers and plant density on different crops, information on the effects of these factors for many medicinal plants is scarce. Therefore, in this study the effect of organic fertilizers and plant density on morphological characteristics and yield of Echium amoenum was studied in a low input cropping system. Materials and methods: In order to evaluate the plant density and comparison of organic and chemical fertilizers on Iranian Ox-Tongue (Echium amoenum, a split plots experiment in time based on RCBD design with three replications was conducted in 2011-2014 growing seasons, in Ferdowsi University of Mashhad, Iran. The main plots included factorial combination of 3 plant densities (3, 5 and 10 plants per m2 and 4 different types of organic and chemical fertilizers (compost, vermicompost, cow manure, nitrogen chemical fertilizer and control and the sub plots included agronomic years (2 and 3 agronomic years. Results and discussion:The results showed that the effect of plant density on dry flower yield was significant, so that the highest dry flower yield (816 kg.ha-1 obtained for 5 plants per m2 and in this treatment dry flower yield was 23% and 15% more than 3 and 10 plants per m2 treatments, respectively. In both of agronomic years, effect of different organic and chemical fertilizers was intensified in 5 plants per m2, for example in second agronomic year, compost in 5 plants per m2 increased seed yield 30 and 25% compared to 3 and 10 plants per m2 densities, respectively. Although the use of chemical fertilizers to improve yield and yield components of Iranian Ox-Tongue was no ineffective, its impacts was much less than organic fertilizers. In general, the results of this research showed that the use of organic fertilizers in optimal plant densities can be reducing environmental risks of chemical fertilizers and develop sustainable agriculture and protect the health of the products. Organic fertilizers are among the

Potential sources for nonlinear sorption of organic compounds to soils and natural solids

Science.gov (United States)

Chiou, C. T.

2003-04-01

The sorption isotherms of ethylene dibromide (EDB), diuron (DUN), and 3,5-dichlorophenol (DCP) from water to the humic acid and humin fractions of a peat soil have been measured. The data were compared with those of the same solutes on whole peat from which the humic acid (HA) and humin (HM) fractions were derived and on which the sorption of solutes exhibited varying extents of nonlinear capacities at low relative concentrations (Ce/Sw). The HA fraction as prepared by a density-fractionated method is relatively pure and presumably free of high-surface-area carbonaceous material (HSACM) that is considered to be responsible for the observed nonlinear sorption for nonpolar solutes (e.g., EDB) on the peat; conversely, the base-insoluble HM fraction as prepared is presumably enriched with HSACM, as manifested by the greatly higher BET-(N2) surface area than that of the whole peat. The sorption of EDB on HA exhibits no visible nonlinear effect, whereas the sorption on HM shows an enhanced nonlinearity over that on the whole peat. The sorption of polar DUN and DCP on HA and HM display nonlinear effects comparable with those on the whole peat; the effects are much more significant than those with nonpolar EDB. These results conform to the hypothesis that adsorption onto a small amount of strongly adsorbing HSACM is largely responsible for the nonlinear sorption of nonpolar solutes on soils and that additional specific interactions with the active groups of soil organic matter are responsible for the generally higher nonlinear sorption of the polar solutes.

Effect of Heterogeneous Chemical Reactions on the Köhler Activation of Aqueous Organic Aerosols.

Science.gov (United States)

Djikaev, Yuri S; Ruckenstein, Eli

2018-05-03

We study some thermodynamic aspects of the activation of aqueous organic aerosols into cloud droplets considering the aerosols to consist of liquid solution of water and hydrophilic and hydrophobic organic compounds, taking into account the presence of reactive species in the air. The hydrophobic (surfactant) organic molecules on the surface of such an aerosol can be processed by chemical reactions with some atmospheric species; this affects the hygroscopicity of the aerosol and hence its ability to become a cloud droplet either via nucleation or via Köhler activation. The most probable pathway of such processing involves atmospheric hydroxyl radicals that abstract hydrogen atoms from hydrophobic organic molecules located on the aerosol surface (first step), the resulting radicals being quickly oxidized by ubiquitous atmospheric oxygen molecules to produce surface-bound peroxyl radicals (second step). These two reactions play a crucial role in the enhancement of the Köhler activation of the aerosol and its evolution into a cloud droplet. Taking them and a third reaction (next in the multistep chain of relevant heterogeneous reactions) into account, one can derive an explicit expression for the free energy of formation of a four-component aqueous droplet on a ternary aqueous organic aerosol as a function of four independent variables of state of a droplet. The results of numerical calculations suggest that the formation of cloud droplets on such (aqueous hydrophilic/hydrophobic organic) aerosols is most likely to occur as a Köhler activation-like process rather than via nucleation. The model allows one to determine the threshold parameters of the system necessary for the Köhler activation of such aerosols, which are predicted to be very sensitive to the equilibrium constant of the chain of three heterogeneous reactions involved in the chemical aging of aerosols.

The role of organic matter in the removal of emerging trace organic chemicals during managed aquifer recharge.

Science.gov (United States)

Rauch-Williams, T; Hoppe-Jones, C; Drewes, J E

2010-01-01

This study explored the effect of different bulk organic carbon matrices on the fate of trace organic chemicals (TOrC) during managed aquifer recharge (MAR). Infiltration through porous media was simulated in biologically active column experiments under aerobic and anoxic recharge conditions. Wastewater effluent derived organic carbon types, differing in hydrophobicity and biodegradability (i. e., hydrophobic acids, hydrophilic carbon, organic colloids), were used as feed substrates in the column experiments. These carbon substrates while fed at the same concentration differed in their ability to support soil biomass growth during porous media infiltration. Removal of degradable TOrC (with the exception of diclofenac and propyphenazone) was equal or better under aerobic versus anoxic porous media infiltration conditions. During the initial phase of infiltration, the presence of biodegradable organic carbon (BDOC) enhanced the decay of degradable TOrC by promoting soil biomass growth, suggesting that BDOC served as a co-substrate in a co-metabolic transformation of these contaminants. However, unexpected high removal efficiencies were observed for all degradable TOrC in the presence of low BDOC concentrations under well adopted oligotrophic conditions. It is hypothesized that removal under these conditions is caused by a specialized microbial community growing on refractory carbon substrates such as hydrophobic acids. Findings of this study reveal that the concentration and character of bulk organic carbon present in effluents affect the degradation efficiency for TOrC during recharge operation. Specifically aerobic, oligotrophic microbiological soil environments present favorable conditions for the transformation of TOrC, including rather recalcitrant compounds such as chlorinated flame retardants. (c) 2009 Elsevier Ltd. All rights reserved.

Adolescent Exposure to Toxic Volatile Organic Chemicals From E-Cigarettes.

Science.gov (United States)

Rubinstein, Mark L; Delucchi, Kevin; Benowitz, Neal L; Ramo, Danielle E

2018-04-01

There is an urgent need to understand the safety of e-cigarettes with adolescents. We sought to identify the presence of chemical toxicants associated with e-cigarette use among adolescents. Adolescent e-cigarette users (≥1 use within the past 30 days, ≥10 lifetime e-cigarette use episodes) were divided into e-cigarette-only users (no cigarettes in the past 30 days, urine 4-[methylnitrosamino]-1-[3-pyridyl]-1-butanol [NNAL] level 30 pg/mL; n = 16), and never-using controls ( N = 20). Saliva was collected within 24 hours of the last e-cigarette use for analysis of cotinine and urine for analysis of NNAL and levels of 8 volatile organic chemical compounds. Bivariate analyses compared e-cigarette-only users with dual users, and regression analyses compared e-cigarette-only users with dual users and controls on levels of toxicants. The participants were 16.4 years old on average. Urine excretion of metabolites of benzene, ethylene oxide, acrylonitrile, acrolein, and acrylamide was significantly higher in dual users versus e-cigarette-only users (all P < .05). Excretion of metabolites of acrylonitrile, acrolein, propylene oxide, acrylamide, and crotonaldehyde were significantly higher in e-cigarette-only users compared with controls (all P < .05). Although e-cigarette vapor may be less hazardous than tobacco smoke, our findings can be used to challenge the idea that e-cigarette vapor is safe, because many of the volatile organic compounds we identified are carcinogenic. Messaging to teenagers should include warnings about the potential risk from toxic exposure to carcinogenic compounds generated by these products. Copyright © 2018 by the American Academy of Pediatrics.

Analysis of chemical reaction kinetics of depredating organic pollutants from secondary effluent of wastewater treatment plant in constructed wetlands.

Science.gov (United States)

Wang, Hao; Jiang, Dengling; Yang, Yong; Cao, Guoping

2013-01-01

Four subsurface constructed wetlands were built to treat the secondary effluent of a wastewater treatment plant in Tangshan, China. The chemical pollutant indexes of chemical oxygen demand (COD) were analyzed to evaluate the removal efficiency of organic pollutants from the secondary effluent of the wastewater treatment plant. In all cases, the subsurface constructed wetlands were efficient in treating organic pollutants. Under the same hydraulic loading condition, the horizontal flow wetlands exhibited better efficiency of COD removal than vertical flow wetlands: the removal rates in horizontal flow wetlands could be maintained at 68.4 ± 2.42% to 92.2 ± 1.61%, compared with 63.8 ± 1.19% to 85.0 ± 1.25% in the vertical flow wetlands. Meanwhile, the chemical reaction kinetics of organic pollutants was analyzed, and the results showed that the degradation courses of the four subsurface wetlands all corresponded with the first order reaction kinetics to a large extent.

Chemical compositions and characteristics of organic compounds in propolis from Yemen

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Ahmad A. Al-Ghamdi

2017-07-01

Full Text Available Propolis is a gummy material made by honeybees for protecting their hives from bacteria and fungi. The main objective of this study is to determine the chemical compositions and concentrations of organic compounds in the extractable organic matter (EOM of propolis samples collected from four different regions in Yemen. The propolis samples were extracted with a mixture of dichloromethane and methanol and analyzed by gas chromatography–mass spectrometry (GC–MS. The results showed that the total extract yields ranged from 34% to 67% (mean = 55.5 ± 12.4%. The major compounds were triterpenoids (254 ± 188 mg g−1, mainly α-, β-amyryl and dammaradienyl acetates, n-alkenes (145 ± 89 mg g−1, n-alkanes (65 ± 29 mg g−1, n-alkanoic acids (40 ± 26 mg g−1, long chain wax esters (38 ± 25 mg g−1, n-alkanols (8 ± 3 mg g−1 and methyl n-alkanoates (6 ± 4 mg g−1. The variation in the propolis chemical compositions is apparently related to the different plant sources. The compounds of these propolis samples indicate that they are potential sources of natural bio-active compounds for biological and pharmacological applications.

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

Science.gov (United States)

Wedege, Kristina; Dražević, Emil; Konya, Denes; Bentien, Anders

2016-01-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined with single cell battery RFB tests on selected redox pairs. Data shows that both the solubility and redox potential are determined by the position of the side groups and only to a small extent by the number of side groups. Additionally, the chemical stability and possible degradation mechanisms leading to capacity loss over time are discussed. The main challenge for the development of all-organic RFBs is to identify a redox pair for the positive side with sufficiently high stability and redox potential that enables battery cell potentials above 1 V. PMID:27966605

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

Science.gov (United States)

Wedege, Kristina; Dražević, Emil; Konya, Denes; Bentien, Anders

2016-12-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined with single cell battery RFB tests on selected redox pairs. Data shows that both the solubility and redox potential are determined by the position of the side groups and only to a small extent by the number of side groups. Additionally, the chemical stability and possible degradation mechanisms leading to capacity loss over time are discussed. The main challenge for the development of all-organic RFBs is to identify a redox pair for the positive side with sufficiently high stability and redox potential that enables battery cell potentials above 1 V.

15 CFR Supplement No. 2 to Part 715 - Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production

Science.gov (United States)

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Examples of Unscheduled Discrete... CHEMICALS (UDOCs) Pt. 715, Supp. 2 Supplement No. 2 to Part 715—Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production (1) Examples of UDOCs not subject to declaration include: (i) UDOCs...

Application of hazard analysis critical control points (HACCP) to organic chemical contaminants in food.

Science.gov (United States)

Ropkins, K; Beck, A J

2002-03-01

Hazard Analysis Critical Control Points (HACCP) is a systematic approach to the identification, assessment, and control of hazards that was developed as an effective alternative to conventional end-point analysis to control food safety. It has been described as the most effective means of controlling foodborne diseases, and its application to the control of microbiological hazards has been accepted internationally. By contrast, relatively little has been reported relating to the potential use of HACCP, or HACCP-like procedures, to control chemical contaminants of food. This article presents an overview of the implementation of HACCP and discusses its application to the control of organic chemical contaminants in the food chain. Although this is likely to result in many of the advantages previously identified for microbiological HACCP, that is, more effective, efficient, and economical hazard management, a number of areas are identified that require further research and development. These include: (1) a need to refine the methods of chemical contaminant identification and risk assessment employed, (2) develop more cost-effective monitoring and control methods for routine chemical contaminant surveillance of food, and (3) improve the effectiveness of process optimization for the control of chemical contaminants in food.

In vitro mouse spermatogenesis with an organ culture method in chemically defined medium.

Directory of Open Access Journals (Sweden)

Hiroyuki Sanjo

Full Text Available We previously reported the successful induction and completion of mouse spermatogenesis by culturing neonatal testis tissues. The culture medium consisted of α-minimum essential medium (α-MEM, supplemented with Knockout serum replacement (KSR or AlbuMAX, neither of which were defined chemically. In this study, we formulated a chemically defined medium (CDM that can induce mouse spermatogenesis under organ culture conditions. It was found that bovine serum albumin (BSA purified through three different procedures had different effects on spermatogenesis. We also confirmed that retinoic acid (RA played crucial roles in the onset of spermatogonial differentiation and meiotic initiation. The added lipids exhibited weak promoting effects on spermatogenesis. Lastly, luteinizing hormone (LH, follicle stimulating hormone (FSH, triiodothyronine (T3, and testosterone (T combined together promoted spermatogenesis until round spermatid production. The CDM, however, was not able to produce elongated spermatids. It was also unable to induce spermatogenesis from the very early neonatal period, before 2 days postpartum, leaving certain factors necessary for spermatogenic induction in mice unidentified. Nonetheless, the present study provided important basic information on testis organ culture and spermatogenesis in vitro.

Impact of organic carbon and nutrients mobilized during chemical oxidation on subsequent bioremediation of a diesel-contaminated soil.

Science.gov (United States)

Sutton, Nora B; Grotenhuis, Tim; Rijnaarts, Huub H M

2014-02-01

Remediation with in situ chemical oxidation (ISCO) impacts soil organic matter (SOM) and the microbial community, with deleterious effects on the latter being a major hurdle to coupling ISCO with in situ bioremediation (ISB). We investigate treatment of a diesel-contaminated soil with Fenton's reagent and modified Fenton's reagent coupled with a subsequent bioremediation phase of 187d, both with and without nutrient amendment. Chemical oxidation mobilized SOM into the liquid phase, producing dissolved organic carbon (DOC) concentrations 8-16 times higher than the untreated field sample. Higher aqueous concentrations of nitrogen and phosphorous species were also observed following oxidation; NH4(+) increased 14-172 times. During the bioremediation phase, dissolved carbon and nutrient species were utilized for microbial growth-yielding DOC concentrations similar to field sample levels within 56d of incubation. In the absence of nutrient amendment, the highest microbial respiration rates were correlated with higher availability of nitrogen and phosphorus species mobilized by oxidation. Significant diesel degradation was only observed following nutrient amendment, implying that nutrients mobilized by chemical oxidation can increase microbial activity but are insufficient for bioremediation. While all bioremediation occurred in the first 28d of incubation in the biotic control microcosm with nutrient amendment, biodegradation continued throughout 187d of incubation following chemical oxidation, suggesting that chemical treatment also affects the desorption of organic contaminants from SOM. Overall, results indicate that biodegradation of DOC, as an alternative substrate to diesel, and biological utilization of mobilized nutrients have implications for the success of coupled ISCO and ISB treatments. Copyright © 2013 Elsevier Ltd. All rights reserved.

Measuring polarization dependent dispersion of non-polarizing beam splitter cubes with spectrally resolved white light interferometry

Science.gov (United States)

Csonti, K.; Hanyecz, V.; Mészáros, G.; Kovács, A. P.

2017-06-01

In this work we have measured the group-delay dispersion of an empty Michelson interferometer for s- and p-polarized light beams applying two different non-polarizing beam splitter cubes. The interference pattern appearing at the output of the interferometer was resolved with two different spectrometers. It was found that the group-delay dispersion of the empty interferometer depended on the polarization directions in case of both beam splitter cubes. The results were checked by inserting a glass plate in the sample arm of the interferometer and similar difference was obtained for the two polarization directions. These results show that to reach high precision, linearly polarized white light beam should be used and the residual dispersion of the empty interferometer should be measured at both polarization directions.

Secondary organic aerosols. Chemical aging, hygroscopicity, and cloud droplet activation

Energy Technology Data Exchange (ETDEWEB)

Buchholz, Angela

2011-07-06

Atmospheric aerosols have an important impact on the radiation balance, and thus, on the climate of the Earth. Aerosol particles scatter and absorb incoming solar and terrestrial radiation. Apart from this direct effect, aerosol particles act as cloud condensation nuclei (CCN), thereby greatly influencing the microphysics of clouds. Secondary organic aerosols (SOA) are an important fraction of the total aerosol mass. In many environments these organic compounds are mainly products of the oxidation of biogenic volatile organic compounds (VOC). In this study the hygroscopic growth and CCN activation of biogenic SOA were investigated which was formed by the oxidation of VOC with O{sub 3} and photochemically formed OH radicals under low NO{sub x} conditions. For this purpose, a complex mixture of VOC emitted by boreal tree species as gas-phase precursors was used in the Juelich Plant Atmosphere Chamber (JPAC). In long-term studies in the atmosphere simulation chamber SAPHIR {alpha}-pinene or a defined mixture of {alpha}-pinene, {beta}-pinene, limonene, ocimene, {delta}-3-carene served as precursors. Initial precursor concentrations between 40 and 1000 ppbC were investigated. The observed SOA particles were slightly hygroscopic with an average hygroscopicity parameter {kappa}(CCN) = 0.10 {+-} 0.02 and {kappa}(90%RH) = 0.05 {+-} 0.01. Closure between hygroscopic growth and CCN activation data could be achieved allowing either surface tension reduction, limited solubility, or non-ideality of the solution in the droplet. The SOA solutions in equilibrium with RH <95% are possible highly non-ideal. Therefore the organic-water interaction were investigated by applying the UNIFAC model. Calculations for surrogate compounds exhibited the same strong concentration (i.e. RH) dependence of {kappa} at sub-saturation. The growth curves could be fitted and CCN activation predicted by assuming a binary mixture of water and one hypothetical organic compound. The occurrence of

Polar and Nonpolar Gallium Nitride and Zinc Oxide based thin film heterostructures Integrated with Sapphire and Silicon

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Gupta, Pranav

This dissertation work explores the understanding of the relaxation and integration of polar and non-polar of GaN and ZnO thin films with Sapphire and silicon substrates. Strain management and epitaxial analysis has been performed on wurtzitic GaN(0001) thin films grown on c-Sapphire and wurtzitic non-polar a-plane GaN(11-20) thin films grown on r-plane Sapphire (10-12) by remote plasma atomic nitrogen source assisted UHV Pulsed Laser Deposition process. It has been established that high-quality 2-dimensional c-axis GaN(0001) nucleation layers can be grown on c-Sapphire by PLD process at growth temperatures as low as ˜650°C. Whereas the c-axis GaN on c-sapphire has biaxially negative misfit, the crystalline anisotropy of the a-plane GaN films on r-Sapphire results in compressive and tensile misfits in the two major orthogonal directions. The measured strains have been analyzed in detail by X-ray, Raman spectroscopy and TEM. Strain relaxation in GaN(0001)/Sapphire thin film heterostructure has been explained by the principle of domain matched epitaxial growth in large planar misfit system and has been demonstrated by TEM study. An attempt has been made to qualitatively understand the minimization of free energy of the system from the strain perspective. Analysis has been presented to quantify the strain components responsible for the compressive strain observed in the GaN(0001) thin films on c-axis Sapphire substrates. It was also observed that gallium rich deposition conditions in PLD process lead to smoother nucleation layers because of higher ad-atom mobility of gallium. We demonstrate near strain relaxed epitaxial (0001) GaN thin films grown on (111) Si substrates using TiN as intermediate buffer layer by remote nitrogen plasma assisted UHV pulsed laser deposition (PLD). Because of large misfits between the TiN/GaN and TiN/Si systems the TIN buffer layer growth occurs via nucleation of interfacial dislocations under domain matching epitaxy paradigm. X-ray and

Organic waste as a sustainable feedstock for platform chemicals.

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Coma, M; Martinez-Hernandez, E; Abeln, F; Raikova, S; Donnelly, J; Arnot, T C; Allen, M J; Hong, D D; Chuck, C J

2017-09-21

Biorefineries have been established since the 1980s for biofuel production, and there has been a switch lately from first to second generation feedstocks in order to avoid the food versus fuel dilemma. To a lesser extent, many opportunities have been investigated for producing chemicals from biomass using by-products of the present biorefineries, simple waste streams. Current facilities apply intensive pre-treatments to deal with single substrate types such as carbohydrates. However, most organic streams such as municipal solid waste or algal blooms present a high complexity and variable mixture of molecules, which makes specific compound production and separation difficult. Here we focus on flexible anaerobic fermentation and hydrothermal processes that can treat complex biomass as a whole to obtain a range of products within an integrated biorefinery concept.

Zebrafish whole-adult-organism chemogenomics for large-scale predictive and discovery chemical biology.

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Siew Hong Lam

2008-07-01

Full Text Available The ability to perform large-scale, expression-based chemogenomics on whole adult organisms, as in invertebrate models (worm and fly, is highly desirable for a vertebrate model but its feasibility and potential has not been demonstrated. We performed expression-based chemogenomics on the whole adult organism of a vertebrate model, the zebrafish, and demonstrated its potential for large-scale predictive and discovery chemical biology. Focusing on two classes of compounds with wide implications to human health, polycyclic (halogenated aromatic hydrocarbons [P(HAHs] and estrogenic compounds (ECs, we generated robust prediction models that can discriminate compounds of the same class from those of different classes in two large independent experiments. The robust expression signatures led to the identification of biomarkers for potent aryl hydrocarbon receptor (AHR and estrogen receptor (ER agonists, respectively, and were validated in multiple targeted tissues. Knowledge-based data mining of human homologs of zebrafish genes revealed highly conserved chemical-induced biological responses/effects, health risks, and novel biological insights associated with AHR and ER that could be inferred to humans. Thus, our study presents an effective, high-throughput strategy of capturing molecular snapshots of chemical-induced biological states of a whole adult vertebrate that provides information on biomarkers of effects, deregulated signaling pathways, and possible affected biological functions, perturbed physiological systems, and increased health risks. These findings place zebrafish in a strategic position to bridge the wide gap between cell-based and rodent models in chemogenomics research and applications, especially in preclinical drug discovery and toxicology.

The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

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McLachlan, Michael S; Czub, Gertje; Wania, Frank

2002-11-15

Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental

Decomposition of halogenated organic chemicals in ionic liquid by ionizing radiation

International Nuclear Information System (INIS)

Kimura, A.; Taguchi, M.; Kojima, T.; Nagaishi, R.; Hiratsuka, H.

2006-01-01

Introduction: Halogenated organic chemicals such as polychlorodibenzo-p-dioxin, polychlorobiphenyls and hexachlorobenzene are widely spread in water environment. These pollutants are persistent against advanced oxidation treatments such as ozone/UV, ozone/hydrogen peroxide, ionizing radiation and photocatalysts. The ionizing radiation, however, can also produce homogeneously and quantitatively reducing species in water. On the other hand, room temperature ionic liquids (RTILs) have unique properties such as nonflammable, high polarity, low melting point, hydrophobicity and wide electrochemical window. The combined method of reduction by ionizing radiation and RTILs is investigated as a new environmental conservation technology. Experimental: Chlorophenol (CP) is selected as model chemicals having the main frame of halogenated organic chemicals. Each o - , m - and p-CP were irradiated with 60 Co γ-ray in each diethylmethyl(2-methoxy-ethyl)ammonium bis(trifluoromethylsulfonyl)imide (DEMMA- TFSI), diethylmethyl(2-methoxyethyl)-ammonium tetrafluoroborate (DEMMA-BF4), methanol and ethanol as solvent. Decomposition of CP and formation of irradiation products were studied using HPLC, LC-MS and ion chromatography. Results and discussion: Concentration of CP in each solution decreased as a function of dose. G-value was estimated from the slope at the primary stage of the decomposition curve. The G(-CP) and G(Phenol) were shown in Table 1. G(-CP) in the aliphatic alcohols was 0.21 to 0.37, which is lower than G-value of reducing species in the alcohols, e.g. G=1.0 to 1.5 for solvated electron. Since the rate constant for reaction of CP with hydrated electron is 1.3 x 10 9 mol -1 ·dm 3 ·s -1 , the reverse reaction is considered to attribute. G(-CP) in DEMMA-TFSI or DEMMA-BF4 was about 2 to 3 times higher than that in each alcohol. Lifetime of the reducing species in RTILs would be longer than that in each alcohol. G(-CP) in DEMMA-TFSI decreased by adding acetone or oxygen

Tuning the performance of a natural treatment process using metagenomics for improved trace organic chemical attenuation

KAUST Repository

Drewes, Jorg; Li, Dong; Regnery, Julia; Alidina, Mazahirali; Wing, Alexandredavid; Hoppe-Jones, Christiane

2014-01-01

removal of trace organic chemicals of emerging concern (CECs). Increasing the humic content of the primary substrate resulted in higher microbial diversity. Lower concentrations and a higher humic content of the primary substrate promoted the attenuation

Device for applying organic chemicals to lysimeter surfaces; Applikationsvorrichtung fuer organische Chemikalien auf Lysimeteroberflaechen

Energy Technology Data Exchange (ETDEWEB)

Schroll, R. [GSF - Forschungszentrum fuer Umwelt und Gesundheit Neuherberg GmbH, Oberschleissheim (Germany). Inst. fuer Bodenoekologie

1999-02-01

One of the aims of environmental research at the GSF Research Centre for the Environment and Health is to determine the behaviour of environmentally consequential chemicals in terrestrial ecosystems under as natural conditions as possible. The GSF lysimeter plant in Neuherberg permits studying the environmental behaviour of organic chemicals in different soils. Collaborators at GSF have developed a means of applying -14-marked substances in field lysimeters so as to be able to refind released chemicals, identify their conversion products and set up mass balances for the chemicals. [Deutsch] Ein Ziel der Umweltforschung im GSF-Forschungszentrum fuer Umwelt und Gesundheit ist es, das Verhalten von Umweltchemikalien in terrestrischen Oekosystemen unter moeglichst natuerlichen Bedingungen zu bestimmen. In der GSF-Lysimeteranlage Neuherberg kann das Umweltverhalten von Organika in verschiedenen Boeden untersucht werden. Zur Wiedererkennung der ausgebrachten Chemikalie bzw. zur Identifizierung aus ihr entstandener Umwandlungsprodukte und letztendlich auch zur Erstellung einer Massenbilanz fuer das ausgebrachte Praeparat wurde in der GSF die Moeglichkeit geschaffen, {sup 14}C-markierte Substanzen in Freilandlysimetern applizieren zu koennen. (orig.)

Natural radioactivity levels and heavy metals in chemical and organic fertilizers used in Kingdom of Saudi Arabia.

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El-Taher, A; Althoyaib, S S

2012-01-01

The present work deals with identifying and determining the activity levels of natural occuring radionuclides, (226)Ra and (232)Th series, their decay products and (40)K, in chemical and organic fertilizers used in Kingdom of Saudi Arabia. A total of 30 samples: 20 phosphatic fertilizers (single super-phosphate SSP and triple super-phosphate,TSP) and 10 organic fertilizers (cow, sheep and chicken) collected from markets and farms. The gamma-ray spectrometer consists of NaI(Tl) detector and its electronic circuit was used for measuring γ-ray spectra. The ranges of radioactivity levels of (226)Ra, (232)Th and (40)K in chemical fertilizers are 51.5±5.2-106.3±7.5, 5.1±1.6-9.9±3.2. and 462.6±21-607.3±14Bqkg(-1), respectively. The activities of (226)Ra, (232)Th and (40)K in natural fertilizers (cow, sheep and chicken) are lower than the activities in chemical fertilizers. The obtained data are compared with available reported data from other countries in literature. The Ra(eq) in chemical fertilizer ranges from 100.37 to 161.43Bqkg(-1) and in organic fertilizer ranges from 34.07 to 102.19Bqkg(-1), which are lower than the limit of 370Bqkg(-1) adopted from NEA-OECD (1979). The average heavy metal (Pb, Cd, Ni, Co and Cr) contents of the fertilizers marketed in the Kingdom of Saudi Arabia are also determined and within the limits of those used worldwide. Copyright © 2011 Elsevier Ltd. All rights reserved.

Wintertime aerosol chemical composition and source apportionment of the organic fraction across Ireland

Science.gov (United States)

Ovadnevaite, J.; Lin, C.; Ceburnis, D.; Huang, R. J. J.; O'Dowd, C. D. D.

2017-12-01

A national wide characterization of PM1 was studied for the first time using a high-time resolution Aerosol Chemical Speciation Monitor (ACSM) and Aethalometer in Ireland during the heating season. Dublin, the capital of Ireland, is the most polluted area with an average PM1 of 7.6 μg/m3, with frequent occurrence of peak concentration over 200 μg/m3 primarily due to solid fuels burning, while Mace Head, in the west coast, is least polluted with an average PM1 of 0.8 μg/m3 due to the distance from the emission sources. The organic aerosol is the most dominant species across Ireland, contributing 65%, 58%, 32%, 33% to total PM1 mass in Dublin, Birr, Carnsore Point, and Mace Head, respectively. Birr, a small town in the midland of Ireland, has comparable PM1 levels (4.8 μg/m3) and similar chemical compositions with that in Dublin. Carnsore Point, on the southeast coast, has similar composition with that at Mace Head, but nearly 3 times the levels of PM1 mass due to its relative closeness to other European countries. Positive matrix factorization (PMF) with the multi-linear engine (ME-2) was performed on the organic matrix to quantify the contribution of factor candidates. Peat burning was found to be the dominant factor across Ireland, contributing more than 40% of the total organic mass in Dublin and Birr while OOA is dominant at rural Carnsore Point and Mace Head. Possible geographic origins of PM1 species and organic factors using polar plots were explored. The findings of solid fuels burning (primarily peat burning) driving the pollution episodes suggest an elimination or controlled emission of solid fuels burning would reduce PM1 by at least 50%.

Enhancing both the mechanical and chemical properties of paper sheet by graft co-polymerization with acrylonitrile/methyl methacrylate

Directory of Open Access Journals (Sweden)

H.M. Abd El Salam

2014-09-01

Full Text Available The chemical graft copolymerization reaction of acrylonitrile (AN and methyl methacrylate (MMA binary mixture onto paper sheet was performed. The effect of initiator concentration, monomer concentration and temperature on the reaction rate was studied. The reaction rate equation of the graft copolymerization reaction is found to be RP = K2 [Initiator]0.795[Monomer]2.007. The apparent activation energy (Ea of the copolymerization reaction is found to be 75.01 kJ/mol. The infrared characteristic absorption bands for cellulosic paper structure and the paper gr-AN-MMA are investigated. Tensile break load, porosity and burst strength were measured for the grafted and pure paper sheet. It was found that the mechanical properties are improved by grafting copolymerization. The chemical resistance of the graft product against a strong acid a strong alkali, polar and nonpolar solvents was investigated. It was found that the resistance to these chemicals is enhanced by grafting.

Antidiabetic, cytotoxic, antioxidant and antitrematodal medicinal efficacy of polar and non-polar phytochemicals of Balanites aegyptiaca Del.

Directory of Open Access Journals (Sweden)

Hanan Abd Al-Hay Saied Al-Ashaal

2017-11-01

Full Text Available Objective: To investigate the biological activities of polar and non-polar extracts of Balanites aegyptiaca fruits. Methods: Antihyperglycemic activity using alloxan induced diabetic rats was evaluated. In vitro cytotoxicity against human carcinoma cell lines activity in addition to antioxidant and antitrematodal effects were investigated. Phytochemicals were determined using chromatographic and spectral analyses including TLC, GC and LC/MS/MS methods. Results: The reduction in blood glucose level reached 64.13%, 69.07% and 77.01% for hexane, chloroform and methanol extract, respectively. Isolated organs and histopathological examination illustrated improvement in treated animal's pancreas which is the master gland in controlling glucose level. The highest in vitro free radical scavenging capacity was achieved by chloroform extract (75.72%. Meanwhile, hexane and methanol extracts exhibited 44.01% and 41.77% scavenging capacity, respectively. Cytotoxic activity against human carcinoma cell lines illustrated efficacious influence against brain, liver, lung, breast and lymphoblastic leukemia cell lines. Brain cell line was the most susceptible cell line by both chloroform and methanol extracts. In vitro antitrematodal effectiveness showed that 100% mortality of Schistosoma worms was induced at the 3rd and 5th days for methanol and chloroform extracts. Meanwhile, both extracts exhibited antifasciolosis activity with LC50 of 63.19 and 55.15 mg/L, respectively. Conclusions: The current results illustrated that Balanites aegyptiaca phytochemicals induced potent hypoglycemic activity and potent to moderate antioxidant and cytotoxic effects. Chloroform and methanol extracts were found to have antitrematodal efficacy against Schistosoma mansoni and Fasciola gigantica hepatic worms.

Chemical composition and cycling of dissolved organic matter in the Mid-Atlantic Bight

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Aluwihare, Lihini I.; Repeta, Daniel J.; Chen, Robert F.

This study focuses on the chemical characterization of high molecular-weight dissolved organic matter (HMW DOM) isolated from the Middle Atlantic Bight in April 1994 and March 1996. Using proton nuclear magnetic resonance spectroscopy ( 1HNMR) and monosaccharide analysis we compared both spatial and temporal variations in the chemical structure of HMW DOM across this region. Our analyses support the presence of at least two compositionally distinct components to HMW DOM. The major component is acyl polysaccharide (APS), a biopolymer rich in carbohydrates, acetate and lipid, accounting for between 50% and 80% of the total high molecular-weight dissolved organic carbon (HMW DOC) in surface samples. APS is most abundant in fully marine, surface-water samples, and is a product of autochthonous production. Organic matter with spectral properties characteristic of humic substances is the second major component of HMW DOM. Humic substances are most abundant (up to 49% of the total carbon) in samples collected from estuaries, near the coast, and in deep water, suggesting both marine and perhaps terrestrial sources. Radiocarbon analyses of neutral monosaccharides released by the hydrolysis of APS have similar and modern (average 71‰) Δ 14C values. Radiocarbon data support our suggestion that these sugars occur as part of a common macromolecule, with an origin via recent biosynthesis. Preliminary radiocarbon data for total neutral monosaccharides isolated from APS at 300 and 750 m show this fraction to be substantially enriched relative to total HMW DOC and DOC. The relatively enriched radiocarbon values of APS at depth suggest APS is rapidly transported into the deep ocean.

Molecular corridors and parameterizations of volatility in the chemical evolution of organic aerosols

Directory of Open Access Journals (Sweden)

Y. Li

2016-03-01

Full Text Available The formation and aging of organic aerosols (OA proceed through multiple steps of chemical reaction and mass transport in the gas and particle phases, which is challenging for the interpretation of field measurements and laboratory experiments as well as accurate representation of OA evolution in atmospheric aerosol models. Based on data from over 30 000 compounds, we show that organic compounds with a wide variety of functional groups fall into molecular corridors, characterized by a tight inverse correlation between molar mass and volatility. We developed parameterizations to predict the saturation mass concentration of organic compounds containing oxygen, nitrogen, and sulfur from the elemental composition that can be measured by soft-ionization high-resolution mass spectrometry. Field measurement data from new particle formation events, biomass burning, cloud/fog processing, and indoor environments were mapped into molecular corridors to characterize the chemical nature of the observed OA components. We found that less-oxidized indoor OA are constrained to a corridor of low molar mass and high volatility, whereas highly oxygenated compounds in atmospheric water extend to high molar mass and low volatility. Among the nitrogen- and sulfur-containing compounds identified in atmospheric aerosols, amines tend to exhibit low molar mass and high volatility, whereas organonitrates and organosulfates follow high O : C corridors extending to high molar mass and low volatility. We suggest that the consideration of molar mass and molecular corridors can help to constrain volatility and particle-phase state in the modeling of OA particularly for nitrogen- and sulfur-containing compounds.

Nanoporous distributed Bragg reflectors on free-standing nonpolar m-plane GaN

Science.gov (United States)

Mishkat-Ul-Masabih, Saadat; Luk, Ting Shan; Rishinaramangalam, Ashwin; Monavarian, Morteza; Nami, Mohsen; Feezell, Daniel

2018-01-01

We report the fabrication of m-plane nanoporous distributed Bragg reflectors (DBRs) on free-standing GaN substrates. The DBRs consist of 15 pairs of alternating undoped and highly doped n-type ([Si] = ˜3.7 × 1019 cm-3) GaN. Electrochemical (EC) etching was performed to convert the highly doped regions into a porous material, consequently reducing the effective refractive index of the layers. We demonstrate a DBR with peak reflectance greater than 98% at 450 nm with a stopband width of ˜72 nm. The polarization ratio of an incident polarized light source remains identical after reflection from the DBR, verifying that there is no drop in the polarization ratio due to the interfaces between the porous layers. We also quantify the porosity under various EC bias conditions for layers with different doping concentrations. The bias voltage controls the average pore diameter, while the pore density is primarily determined by the doping concentration. The results show that nanoporous DBRs on nonpolar free-standing GaN are promising candidates for high-reflectance, lattice-matched DBR mirrors for GaN-based resonant cavity devices.

Environmental risk assessment of selected organic chemicals based on TOC test and QSAR estimation models.

Science.gov (United States)

Chi, Yulang; Zhang, Huanteng; Huang, Qiansheng; Lin, Yi; Ye, Guozhu; Zhu, Huimin; Dong, Sijun

2018-02-01

Environmental risks of organic chemicals have been greatly determined by their persistence, bioaccumulation, and toxicity (PBT) and physicochemical properties. Major regulations in different countries and regions identify chemicals according to their bioconcentration factor (BCF) and octanol-water partition coefficient (Kow), which frequently displays a substantial correlation with the sediment sorption coefficient (Koc). Half-life or degradability is crucial for the persistence evaluation of chemicals. Quantitative structure activity relationship (QSAR) estimation models are indispensable for predicting environmental fate and health effects in the absence of field- or laboratory-based data. In this study, 39 chemicals of high concern were chosen for half-life testing based on total organic carbon (TOC) degradation, and two widely accepted and highly used QSAR estimation models (i.e., EPI Suite and PBT Profiler) were adopted for environmental risk evaluation. The experimental results and estimated data, as well as the two model-based results were compared, based on the water solubility, Kow, Koc, BCF and half-life. Environmental risk assessment of the selected compounds was achieved by combining experimental data and estimation models. It was concluded that both EPI Suite and PBT Profiler were fairly accurate in measuring the physicochemical properties and degradation half-lives for water, soil, and sediment. However, the half-lives between the experimental and the estimated results were still not absolutely consistent. This suggests deficiencies of the prediction models in some ways, and the necessity to combine the experimental data and predicted results for the evaluation of environmental fate and risks of pollutants. Copyright © 2016. Published by Elsevier B.V.

Organic solvents improve hydrocarbon desorption and biodegradation in highly contaminated weathered soils

Energy Technology Data Exchange (ETDEWEB)

Garcia-Rivero, M. [Tecnologico de Estudios Superiores de Ecatepec, Mexico City (Mexico); Saucedo-Casteneda, G.; Gutierrez-Rojas, M. [Autonoma Metropolitan Univ., Mexico City (Mexico). Dept. of Biotechnology

2007-07-15

A toluene-based microbial slurry phase system was used to remediate hydrocarbons (HC) in highly contaminated soil samples collected from a site next to a working refinery in Mexico. Initial HC concentrations of the samples were 237.2 {+-} 16,6 g kg{sup -1} in dry soil. The microbial consortium consisted of 10 different strains in a mineral solution. Non-polar solvents used in the phase system included hexane, benzene, and toluene. Polar solvents included n-butanol, acetone, and methanol. The bioavailability of the HCs was increased using both polar and nonpolar solvents in order to promote desorption from the soil and to enhance overall HC biodegradation. HC desorption was analyzed in an abiotic system. Respiration and residual HCs were examined after a period of 30 days in order to compare the effects of the 2 solvents. The biodegradation extracts were then fractionated in a silica gel column to determine if the solvents actually enhanced the biodegradation of specific HC fractions. The study showed that induced dipole interactions forces resulted when nonpolar molecules were dissolved into a nonpolar solvent. Results for desorption and solubility varied among the 6 solvents. Higher dielectric constants resulted in higher solubility and desorption of HCs for nonpolar solvents, while the opposite effect was observed for polar solvents. It was concluded that toluene produced better biodegradation results than any of the milder solvents. 34 refs., 4 tabs., 1 fig.

A Fast Chromatographic Method for Estimating Lipophilicity and Ionization in Nonpolar Membrane-Like Environment.

Science.gov (United States)

Caron, Giulia; Vallaro, Maura; Ermondi, Giuseppe; Goetz, Gilles H; Abramov, Yuriy A; Philippe, Laurence; Shalaeva, Marina

2016-03-07

This study describes the design and implementation of a new chromatographic descriptor called log k'80 PLRP-S that provides information about the lipophilicity of drug molecules in the nonpolar environment, both in their neutral and ionized form. The log k'80 PLRP-S obtained on a polymeric column with acetonitrile/water mobile phase is shown to closely relate to log Ptoluene (toluene dielectric constant ε ∼ 2). The main intermolecular interactions governing log k'80 PLRP-S were deconvoluted using the Block Relevance (BR) analysis. The information provided by this descriptor was compared to ElogD and calclog Ptol, and the differences are highlighted. The "charge-flush" concept is introduced to describe the sensitivity of log k'80 PLRP-S to the ionization state of compounds in the pH range 2 to 12. The ability of log k'80 PLRP-S to indicate the propensity of neutral molecules and monoanions to form Intramolecular Hydrogen Bonds (IMHBs) is proven through a number of examples.

Tip-induced domain growth on the non-polar cuts of lithium niobate single-crystals

Science.gov (United States)

Alikin, D. O.; Ievlev, A. V.; Turygin, A. P.; Lobov, A. I.; Kalinin, S. V.; Shur, V. Ya.

2015-05-01

Currently, ferroelectric materials with designed domain structures are considered as a perspective material for new generation of photonic, data storage, and data processing devices. Application of external electric field is the most convenient way of the domain structure formation. Lots of papers are devoted to the investigation of domain kinetics on polar surface of crystals while the forward growth remains one of the most mysterious stages due to lack of experimental methods allowing to study it. Here, we performed tip-induced polarization reversal on X- and Y-non-polar cuts in single-crystal of congruent lithium niobate which allows us to study the forward growth with high spatial resolution. The revealed difference in the shape and length of domains induced on X- and Y-cuts is beyond previously developed theoretical approaches used for the theoretical consideration of the domains growth at non-polar ferroelectric surfaces. To explain experimental results, we used kinetic approach with anisotropy of screening efficiency along different crystallographic directions.

Tridodecylamine, an efficient charge control agent in non-polar media for electrophoretic inks application

Science.gov (United States)

Noel, Amélie; Mirbel, Déborah; Cloutet, Eric; Fleury, Guillaume; Schatz, Christophe; Navarro, Christophe; Hadziioannou, Georges; CyrilBrochon

2018-01-01

In order to obtain efficient electrophoretic inks, Tridodecylamine (Dod3N), has been studied as charge control agent (CCA) in a non-polar paraffin solvent (Isopar G) for various inorganic pigments (TiO2 and Fe2O3). All hydrophobic mineral oxides, i.e. treated with octyltrimethoxysilane (C8) or dodecyltrimethoxysilane (C12), were found to be negatively charged in presence of Dod3N. The electrophoretic mobilities of inorganic pigments seemed to be strongly dependent of their isoelectric point (IEP) and also of the concentration of dod3N with an optimum range between 10 and 20 mM depending on the pigments. Finally, an electrophoretic ink constituted of hydrophobic mineral oxides in presence of Dod3N was tested in a device. Its efficiency as charge control agent to negatively charge hydrophobic particles was confirmed through good optical properties and fast response time (220 ms at 200 kV m-1).

Effect of organic solvents on dissolution process of mechano-chemically activated molybdenum by inorganic acid solutions

International Nuclear Information System (INIS)

Shevtsova, I.Ya.; Chernyak, A.S.; Khal'zov, A.A.

1992-01-01

The process of chemical dissolution of mechanochemically activated and nonactivated molybdenite by inorganic acid solutions in certain organic solvents of different nature was considered. It is shown that the highest extraction of molybdenum in solution is achieved in the presence of nitric acid. The dissociation constant of the acid used in the given organic solvent does not affect molybdenite solubility. When dissolving molybdenite by solutions of nitric acid in carbonic acids, alcohols and esters, the solubility of the concentrate depends on the length of hydrocarbon chain of the organic solvent and dispersion degree of mineral source material

Comparison of Chlamydia trachomatis serovar L2 growth in polarized genital epithelial cells grown in three-dimensional culture with non-polarized cells.

Science.gov (United States)

Dessus-Babus, Sophie; Moore, Cheryl G; Whittimore, Judy D; Wyrick, Priscilla B

2008-04-01

A common model for studying Chlamydia trachomatis and growing chlamydial stocks uses Lymphogranuloma venereum serovar L2 and non-polarized HeLa cells. However, recent publications indicate that the growth rate and progeny yields can vary considerably for a particular strain depending on the cell line/type used, and seem to be partially related to cell tropism. In the present study, the growth of invasive serovar L2 was compared in endometrial HEC-1B and endocervical HeLa cells polarized on collagen-coated microcarrier beads, as well as in HeLa cells grown in tissue culture flasks. Microscopy analysis revealed no difference in chlamydial attachment/entry patterns or in inclusion development throughout the developmental cycle between cell lines. Very comparable growth curves in both cell lines were also found using real-time PCR analysis, with increases in chlamydial DNA content of 400-500-fold between 2 and 36 h post-inoculation. Similar progeny yields with comparable infectivity were recovered from HEC-1B and HeLa cell bead cultures, and no difference in chlamydial growth was found in polarized vs. non-polarized HeLa cells. In conclusion, unlike other C. trachomatis strains such as urogenital serovar E, invasive serovar L2 grows equally well in physiologically different endometrial and endocervical environments, regardless of the host cell polarization state.

Organization A Comprehensive System Of Insurance Coverage In The Potential Chemical And Biological Contamination Zone In Regions

Directory of Open Access Journals (Sweden)

Nina Vladimirovna Zaytseva

2014-12-01

Full Text Available The article provides a scientific rationale for an integrated approach to the provision of insurance coverage in the potential chemical and biological contamination zone. The following modern forms of chemical safety in the Russian Federation were considered: state reserve’s system, target program financing, state social insurance. The separate issue tackles the obligatory civil liability insurance for owners of dangerous objects. For improvement of the existing insurance protection system against emergency situations, risks were analyzed (shared on exogenous and endogenous. Among the exogenous risks including natural and climatic conditions of a region, its geographical arrangement, economic specialization, the seismic and terrorist risks were chosen and approaches to its solution were suggested. In endogenous risks’ group, the special focus is on wear and tear and obsolescence of hazardous chemical and biological object’s fixed assets. In case of high risk of an incident, it is suggested to increase in extent of insurance protection through self-insurance, a mutual insurance in the form of the organization of societies of a mutual insurance or the self-regulating organizations, and also development of voluntary insurance of a civil liability, both the owner of hazardous object, and regions of the Russian Federation and municipalities. The model of insurance coverage in the potential chemical and biological contamination zone is based on a differentiated approach to the danger level of the area. A matrix of adequate forms and types of insurance (required for insurance coverage of the population in the potential chemical and biological contamination zone was constructed. Proposed health risk management toolkit in the potential chemical and biological contamination zone will allow to use financial resources for chemical and biological safety in the regions more efficiently.

MOFwich: Sandwiched Metal-Organic Framework-Containing Mixed Matrix Composites for Chemical Warfare Agent Removal.

Science.gov (United States)

Peterson, Gregory W; Lu, Annie X; Hall, Morgan G; Browe, Matthew A; Tovar, Trenton; Epps, Thomas H

2018-02-28

This work describes a new strategy for fabricating mixed matrix composites containing layered metal-organic framework (MOF)/polymer films as functional barriers for chemical warfare agent protection. Through the use of mechanically robust polymers as the top and bottom encasing layers, a high-MOF-loading, high-performance-core layer can be sandwiched within. We term this multifunctional composite "MOFwich". We found that the use of elastomeric encasing layers enabled core layer reformation after breakage, an important feature for composites and membranes alike. The incorporation of MOFs into the core layer led to enhanced removal of chemical warfare agents while simultaneously promoting moisture vapor transport through the composite, showcasing the promise of these composites for protection applications.

Reducing health risk assigned to organic emissions from a chemical weapons incinerator.

Science.gov (United States)

Laman, David M; Weiler, B Douglas; Skeen, Rodney S

2013-03-01

Organic emissions from a chemical weapons incinerator have been characterized with an improved set of analytical methods to reduce the human health risk assigned to operations of the facility. A gas chromatography/mass selective detection method with substantially reduced detection limits has been used in conjunction with scanning electron microscopy/energy dispersive X-ray spectrometry and Fourier transform infrared microscopy to improve the speciation of semi-volatile and non-volatile organics emitted from the incinerator. The reduced detection limits have allowed a significant reduction in the assumed polycyclic aromatic hydrocarbon (PAH) and aminobiphenyl (ABP) emission rates used as inputs to the human health risk assessment for the incinerator. A mean factor of 17 decrease in assigned human health risk is realized for six common local exposure scenarios as a result of the reduced PAH and ABP detection limits.

Development of hazard analysis by critical control points (HACCP) procedures to control organic chemical hazards in the agricultural production of raw food commodities.

Science.gov (United States)

Ropkins, Karl; Ferguson, Andrew; Beck, Angus J

2003-01-01

Hazard Analysis by Critical Control Points (HACCP) is a systematic approach to the identification, assessment, and control of hazards in the food chain. Effective HACCP requires the consideration of all chemical microbiological, and physical hazards. However, current procedures focus primarily on microbiological and physical hazards, while chemical aspects of HACCP have received relatively little attention. In this article we discuss the application of HACCP to organic chemical contaminants and the problems that are likely to be encountered in agriculture. We also present generic templates for the development of organic chemical contaminant HACCP procedures for selected raw food commodities, that is, cereal crops,raw meats, and milk.

Analysis of very thin organic fibres by means of small spots electron spectroscopy for chemical analysis

International Nuclear Information System (INIS)

Daiser, S.M.; Cormia, R.D.; Scharpen, L.

1985-01-01

ESCA analysis of very thin organic fibres as small as a few micrometer diameter is now possible using the small spot X-ray capability of the SSX100 ESCA system. The sampling method involves suspending the material in the SSX100 chamber, and illuminating it with a monochromatized X-ray beam of 150-300 μm diameter. From the small spot ESCA spectra one can determine the chemical character of the organic layer and the thickness. (Author)

Comparison of Chlamydia trachomatis serovar L2 growth in polarized genital epithelial cells grown in three-dimensional culture with non-polarized cells

OpenAIRE

Dessus-Babus, Sophie; Moore, Cheryl G.; Whittimore, Judy D.; Wyrick, Priscilla B.

2008-01-01

A common model for studying Chlamydia trachomatis and growing chlamydial stocks uses Lymphogranuloma venereum serovar L2 and non-polarized HeLa cells. However, recent publications indicate that the growth rate and progeny yields can vary considerably for a particular strain depending on the cell line/type used, and seem to be partially related to cell tropism. In the present study, the growth of invasive serovar L2 was compared in endometrial HEC-1B and endocervical HeLa cells polarized on co...

Differences between Lipids Extracted from Five Species Are Not Sufficient To Explain Biomagnification of Nonpolar Organic Chemicals

DEFF Research Database (Denmark)

Jahnke, Annika; Holmbäck, Jan; Andersson, Rina Argelia

2015-01-01

headspace from spiked olive oil to determine their sorptive capacities. Lipids from seal blubber and pork bacon solely composed of triglycerides had capacities similar to that of olive oil; lipids from mussels, herring, and guillemot egg had quantifiable fractions of phospholipids and cholesterol and showed...... capacities reduced by factors of up to 2.3-fold. Generally, the sorptive capacities of the lipids were not elevated relative to the olive oil controls and are unlikely to explain a substantial part of biomagnification....

Proteomic Analysis of the Reproductive Organs of the Hermaphroditic Gastropod Lymnaea stagnalis Exposed to Different Endocrine Disrupting Chemicals

Science.gov (United States)

Giusti, Arnaud; Leprince, Pierre; Mazzucchelli, Gabriel; Thomé, Jean-Pierre; Lagadic, Laurent; Ducrot, Virginie; Joaquim-Justo, Célia

2013-01-01

Many studies have reported perturbations of mollusc reproduction following exposure to low concentrations (ng/L range) of endocrine disrupting chemicals (EDCs). However, the mechanisms of action of these molecules on molluscs are still poorly understood. Investigation of the modifications of protein expression in organisms exposed to chemicals using proteomic methods can provide a broader and more comprehensive understanding of adverse impacts of pollution on organisms than conventional biochemical biomarkers (e.g., heat-shock proteins, metallothioneins, GST, EROD). In this study we have investigated the impacts of four chemicals, which exhibit different endocrine disrupting properties in vertebrates, on the proteome of the hermaphroditic freshwater pulmonate gastropod Lymnaea stagnalis after 21 days of exposure. Testosterone, tributyltin, chlordecone and cyproterone acetate were chosen as tested compounds as they can induce adverse effects on the reproduction of this snail. The 2D-DIGE method was used to identify proteins whose expression was affected by these compounds. In addition to modifying the expression of proteins involved in the structure and function of the cytoskeleton, chemicals had impacts on the expression of proteins involved in the reproduction of L. stagnalis. Exposure to 19.2 µg/L of chlordecone increased the abundance of ovipostatin, a peptide transmitted during mating through seminal fluid, which reduces oviposition in this species. The expression of yolk ferritin, the vitellogenin equivalent in L. stagnalis, was reduced after exposure to 94.2 ng Sn/L of tributyltin. The identification of yolk ferritin and the modification of its expression in snails exposed to chemicals were refined using western blot analysis. Our results showed that the tested compounds influenced the abundance of yolk ferritin in the reproductive organs. Alteration in proteins involved in reproductive pathways (e.g., ovipostatin and yolk ferritin) could constitute relevant

Chemical characteristics and methane potentials of source-separated and pre-treated organic municipal solid waste

DEFF Research Database (Denmark)

Hansen, Trine Lund; Svärd, Å; Angelidaki, Irini

2003-01-01

A research project has investigated the biogas potential of pre-screened source-separated organic waste. Wastes from five Danish cities have been pre-treated by three methods: screw press; disc screen; and shredder and magnet. This paper outlines the sampling procedure used, the chemical...... composition of the wastes and the estimated methane potentials....

Determination of organic products resulting of chemical and radiochemical decompositions of bitumen. Applications to embedded bitumens

International Nuclear Information System (INIS)

Walczak, I.

2000-01-01

Bitumen can be used for embedding most of wastes because of its high impermeability and its relatively low reactivity with of chemicals. Bituminization is one of selected solutions in agreement with nuclear safety, waste compatibility and economic criteria. Bitumen, during storage, undergoes an auto-irradiation due to embedded radio-elements. During this stage,drums are not airtight then oxygen is present. In disposal configuration, water, which is a potential vector of radioactivity and organic matter, is an other hazard factor liable to deteriorate the containment characteristics of bitumen wastes. The generation of water-soluble organic complexing agents can affect the integrity of the wasteform due to an increase of the radionuclides solubility. The first aim of this work is the quantitative and qualitative characterisation of soluble organic matter in bitumen leachates. Different leaching solutions were tested (various pH, ionic strength, ratio S/V). When the pH of the leaching solutions increases, the total organic carbon released increases as well. Identified molecules are aromatics like naphthalene, oxidised compounds like alcohols, linear carbonyls, aromatics, glycols and nitrogen compounds. For the cement equilibrated solution (pH 13.5), the effect of ionic strength becomes significative and influences the release of soluble organic matter. This soluble organic matter can be bio-degraded if microorganisms can growth. The second aim of this work is to study the effect of radio-oxidative ageing on the bitumen confinement properties. During radio-oxidation, the chemical properties of bitumen are modified. The μ-IRTF analysis shows the formation of hydroxyl compounds and aromatic acids. The formation of these polar groups does not influence in our study the water uptake. However the organic matter release increases significantly with the irradiation dose. (author)

Continuous, Highly Flexible, and Transparent Graphene Films by Chemical Vapor Deposition for Organic Photovoltaics

KAUST Repository

Gomez De Arco, Lewis

2010-05-25

We report the implementation of continuous, highly flexible, and transparent graphene films obtained by chemical vapor deposition (CVD) as transparent conductive electrodes (TCE) in organic photovoltaic cells. Graphene films were synthesized by CVD, transferred to transparent substrates, and evaluated in organic solar cell heterojunctions (TCE/poly-3,4- ethylenedioxythiophene:poly styrenesulfonate (PEDOT:PSS)/copper phthalocyanine/fullerene/bathocuproine/aluminum). Key to our success is the continuous nature of the CVD graphene films, which led to minimal surface roughness (∼ 0.9 nm) and offered sheet resistance down to 230 Ω/sq (at 72% transparency), much lower than stacked graphene flakes at similar transparency. In addition, solar cells with CVD graphene and indium tin oxide (ITO) electrodes were fabricated side-by-side on flexible polyethylene terephthalate (PET) substrates and were confirmed to offer comparable performance, with power conversion efficiencies (η) of 1.18 and 1.27%, respectively. Furthermore, CVD graphene solar cells demonstrated outstanding capability to operate under bending conditions up to 138°, whereas the ITO-based devices displayed cracks and irreversible failure under bending of 60°. Our work indicates the great potential of CVD graphene films for flexible photovoltaic applications. © 2010 American Chemical Society.

Molecular design chemical structure generation from the properties of pure organic compounds

CERN Document Server

Horvath, AL

1992-01-01

This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling

Soft ionization of saturated hydrocarbons, alcohols and nonpolar compounds by negative-ion direct analysis in real-time mass spectrometry.

Science.gov (United States)

Cody, Robert B; Dane, A John

2013-03-01

Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾(•). No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.

Liming effects on the chemical composition of the organic surface layer of a mature Norway spruce stand (Picea abies [L.] Karst.)

NARCIS (Netherlands)

Rosenberg, W.; Nierop, K.G.J.; Knicker, H.; Jager, de P.A.; Kreutzer, K.; Weiá, T.

2003-01-01

The application of lime in a mature Norway spruce (Picea abies [L.] Karst.) forest in southern Germany induced major changes in the activity of soil organisms and root growth. Since this may influence the chemical compostion of the soil organic matter (SOM) of the organic surface layer, its

On flotation separation of oxo-anions of transition metals by the use of fine-emulsified solutions of cationic collector in non-polar liquids

International Nuclear Information System (INIS)

Skrylev, L.D.; Purich, A.N.; Babinets, S.K.

1980-01-01

Experimentally shown is a principle possibility of flotation separation of oxo-anions of transition metals by the use of fine-emulsified solutions of cationic collector in non-polar liquids. Ammonium vanadate and sodium tuno.state solutions have been the objects of study. Hexadezilamine has been used as collector. The collector has been introduced in the form of hexadecylamine emulsions in n-decane, in tetrachloromethane or alcohol. Optimum pH value ranges are determined for separation processes

Quality system of the Chemical Analysis Laboratory to fulfill the requirements with Certification Organizations

International Nuclear Information System (INIS)

Merlo S, L.; Rodriguez L, R.; Cota S, G.

1996-01-01

In the present work was described the Quality System established in the Chemical Analysis Department to fulfill with the Organization requirements, personnel, measurement equipment, calibration, working procedures, etc. to get official acknowledgment by the National Assurance System for Testing laboratories, dependent of the General Standards Direction. There are described the available resources, the performance and control of each of one principal points of the system. (Author)

Effects of Organic and Chemical Fertilizers on some Quantitative Traits and Anthocyanin of Roselle under Zabol conditions

Directory of Open Access Journals (Sweden)

rahman Ebrahimzadeh abdashti

2017-02-01

Full Text Available Introduction: Roselle (Hibiscus sabdariffa L. belongs to the Malvaceae family, and is an annual or biennial plant that cultivated in tropical and subtropical regions for its stem fibers, eatable calyces, leaves and grains. Roselle is resistant to relatively high temperatures throughout the growing and fruiting times. Continuous use of chemical fertilizers destroys the soil ecological balance, reduces soil fertility and groundwater pollution is caused. In contrast, organic fertilizers are very safe for human health and the environment. It is made by recycling organic material as plant and animals waste, and food scraps in a controlled process. Of the organic fertilizers can be noted to compost, vermicompost, cattle manure andhumic acid. The study was carried out in order to sustainable agriculture. The aim of this study was to investigate the effects of organic and chemical fertilizers on some quantitative traits and anthocyanin of roselle. Materials and Methods: The experiment was performed in complete randomized block design with ten treatments and four replications in research field of agricultural faculty, university of zabol. The treatments included T1: control, T2: NPK in a ratio of 2:1:1 (300 kg ha-1, T3: cattle manure (20 t ha-1, T4: compost (10 t ha-1, T5: vermicompost (5 t ha-1, T6: humic acid foliar in a ratio of 1.5 per thousands, T7: 50% of T2 and T6 , T8: 50% of T3 and T6, T9: 50% of T4 and T6 and T10: 50% of the T5 and T6. Five plants were chosen and an average of five plants was calculated as the single plant for measuring of variables that included the height, number of branches, stem diameter, shoot fresh weight, number of fruits per plant, fruit weight, number of seeds per plant, fresh and dry weights of sepals, inflorescence length, length and diameter of fruit. Method of Wagner has been used for the anthocyanin measurement. Results and Discussion: Results of this research showed that the application of different fertilizers

Organization of lipids in the tear film: a molecular-level view.

Directory of Open Access Journals (Sweden)

Alicja Wizert

Full Text Available Biophysical properties of the tear film lipid layer are studied at the molecular level employing coarse grain molecular dynamics (MD simulations with a realistic model of the human tear film. In this model, polar lipids are chosen to reflect the current knowledge on the lipidome of the tear film whereas typical Meibomian-origin lipids are included in the thick non-polar lipids subphase. Simulation conditions mimic those experienced by the real human tear film during blinks. Namely, thermodynamic equilibrium simulations at different lateral compressions are performed to model varying surface pressure, and the dynamics of the system during a blink is studied by non-equilibrium MD simulations. Polar lipids separate their non-polar counterparts from water by forming a monomolecular layer whereas the non-polar molecules establish a thick outermost lipid layer. Under lateral compression, the polar layer undulates and a sorting of polar lipids occurs. Moreover, formation of three-dimensional aggregates of polar lipids in both non-polar and water subphases is observed. We suggest that these three-dimensional structures are abundant under dynamic conditions caused by the action of eye lids and that they act as reservoirs of polar lipids, thus increasing stability of the tear film.

Chemical composition of gas-phase organic carbon emissions from motor vehicles and implications for ozone production.

Science.gov (United States)

Gentner, Drew R; Worton, David R; Isaacman, Gabriel; Davis, Laura C; Dallmann, Timothy R; Wood, Ezra C; Herndon, Scott C; Goldstein, Allen H; Harley, Robert A

2013-10-15

Motor vehicles are major sources of gas-phase organic carbon, which includes volatile organic compounds (VOCs) and other compounds with lower vapor pressures. These emissions react in the atmosphere, leading to the formation of ozone and secondary organic aerosol (SOA). With more chemical detail than previous studies, we report emission factors for over 230 compounds from gasoline and diesel vehicles via two methods. First we use speciated measurements of exhaust emissions from on-road vehicles in summer 2010. Second, we use a fuel composition-based approach to quantify uncombusted fuel components in exhaust using the emission factor for total uncombusted fuel in exhaust together with detailed chemical characterization of liquid fuel samples. There is good agreement between the two methods except for products of incomplete combustion, which are not present in uncombusted fuels and comprise 32 ± 2% of gasoline exhaust and 26 ± 1% of diesel exhaust by mass. We calculate and compare ozone production potentials of diesel exhaust, gasoline exhaust, and nontailpipe gasoline emissions. Per mass emitted, the gas-phase organic compounds in gasoline exhaust have the largest potential impact on ozone production with over half of the ozone formation due to products of incomplete combustion (e.g., alkenes and oxygenated VOCs). When combined with data on gasoline and diesel fuel sales in the U.S., these results indicate that gasoline sources are responsible for 69-96% of emissions and 79-97% of the ozone formation potential from gas-phase organic carbon emitted by motor vehicles.

A System Analysis of the Recruitment and Retention Problems Associated with the Program Manager for Chemical Demilitarization Organization

National Research Council Canada - National Science Library

Gottschalk, Laurence

2001-01-01

The primary purpose of this thesis is to investigate the problems of retaining qualified personnel in the Program Manager for Chemical Demilitarization organization through the end date of the program...

Effect of organic fertilizers derived dissolved organic matter on pesticide sorption and leaching

Energy Technology Data Exchange (ETDEWEB)

Li Kun [Department of Plant, Soil, and Insect Sciences, Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States); Xing Baoshan [Department of Plant, Soil, and Insect Sciences, Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States) and Northeast Institute of Geography and Agro-ecology, CAS, Harbin 150040 (China)]. E-mail: bx@pssci.umass.edu; Torello, William A. [Department of Plant, Soil, and Insect Sciences, Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States)

2005-03-01

Incorporation of organic fertilizers/amendments has been, and continues to be, a popular strategy for golf course turfgrass management. Dissolved organic matter (DOM) derived from these organic materials may, however, facilitate organic chemical movement through soils. A batch equilibrium technique was used to evaluate the effects of organic fertilizer-derived DOM on sorption of three organic chemicals (2,4-D, naphthalene and chlorpyrifos) in USGA (United States Golf Association) sand, a mixed soil (70% USGA sand and 30% native soil) and a silt loam soil (Typic Fragiochrept). DOM was extracted from two commercial organic fertilizers. Column leaching experiments were also performed using USGA sand. Sorption experiments showed that sorption capacity was significantly reduced with increasing DOM concentration in solution for all three chemicals. Column experimental results were consistent with batch equilibrium data. These results suggest that organic fertilizer-derived DOM might lead to enhanced transport of applied chemicals in turf soils. - Dissolved organic matter could result in enhanced transport of chemicals applied to turf.

Effect of organic fertilizers derived dissolved organic matter on pesticide sorption and leaching

International Nuclear Information System (INIS)

Li Kun; Xing Baoshan; Torello, William A.

2005-01-01

Incorporation of organic fertilizers/amendments has been, and continues to be, a popular strategy for golf course turfgrass management. Dissolved organic matter (DOM) derived from these organic materials may, however, facilitate organic chemical movement through soils. A batch equilibrium technique was used to evaluate the effects of organic fertilizer-derived DOM on sorption of three organic chemicals (2,4-D, naphthalene and chlorpyrifos) in USGA (United States Golf Association) sand, a mixed soil (70% USGA sand and 30% native soil) and a silt loam soil (Typic Fragiochrept). DOM was extracted from two commercial organic fertilizers. Column leaching experiments were also performed using USGA sand. Sorption experiments showed that sorption capacity was significantly reduced with increasing DOM concentration in solution for all three chemicals. Column experimental results were consistent with batch equilibrium data. These results suggest that organic fertilizer-derived DOM might lead to enhanced transport of applied chemicals in turf soils. - Dissolved organic matter could result in enhanced transport of chemicals applied to turf

Inverted bulk-heterojunction organic solar cell using chemical bath deposited titanium oxide as electron collection layer

OpenAIRE

Kuwabara, Takayuki; Sugiyama, Hirokazu; Kuzuba, Mitsuhiro　　; Yamaguchi, Takahiro; Takahashi, Kohshin

2010-01-01

Chemical bath deposited titanium oxide (TiOx ) as an electron collection layer is introduced between the organic layer and the indium tin oxide (ITO) electrode for improving the performance of inverted bulk-heterojunction organic thin film solar cells with 1 cm2 active area, where regioregular poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) were mainly used as the photo-active layer. The uniform and thin TiOx film was easily prepared onto the ITO electrode ...

Guidelines for the use of the semipermeable membrane device (SPMD) and the polar organic chemical integrative sampler (POCIS) in environmental monitoring studies

Science.gov (United States)

Alvarez, David A.

2010-01-01

The success of an environmental monitoring study using passive samplers, or any sampling method, begins in the office or laboratory. Regardless of the specific methods used, the general steps include the formulation of a sampling plan, training of personnel, performing the field (sampling) work, processing the collected samples to recover chemicals of interest, analysis of the enriched extracts, and interpretation of the data. Each of these areas will be discussed in the following sections with emphasis on specific considerations with the use of passive samplers. Water is an extremely heterogeneous matrix both spatially and temporally (Keith, 1991). The mixing and distribution of dissolved organic chemicals in a water body are controlled by the hydrodynamics of the water, the sorption partition coefficients of the chemicals, and the amount of organic matter (suspended sediments, colloids, and dissolved organic carbon) present. In lakes and oceans, stratification because of changes in temperature, water movement, and water composition can occur resulting in dramatic changes in chemical concentrations with depth (Keith, 1991). Additional complications related to episodic events, such as surface runoff, spills, and other point source contamination, can result in isolated or short-lived pulses of contaminants in the water. The application of passive sampling technologies for the monitoring of legacy and emerging organic chemicals in the environment is becoming widely accepted worldwide. The primary use of passive sampling methods for environmental studies is in the area of surface-water monitoring; however, these techniques have been applied to air and groundwater monitoring studies. Although these samplers have no mechanical or moving parts, electrical or fuel needs which require regular monitoring, there are still considerations that need to be understood in order to have a successful study. Two of the most commonly used passive samplers for organic contaminants are

Effects of Single and Combined Application of Organic, Biological and Chemical Fertilizers on Quantitative and Qualitative Yield of Coriander (Coriandrum sativum

Directory of Open Access Journals (Sweden)

M. Aghhavani Shajari

2016-07-01

Full Text Available Introduction: Medicinal plants were one of the main natural resources of Iran from ancient times. Coriander (Coriandrum sativum L. is from Apiaceae family that it has cultivated extensively in the world. Management and environmental factors such as nutritional management has a significant impact on the quantity and quality of plants. Application of organic fertilizers in conventional farming systems is not common and most of the nutritional need of plants supply through chemical fertilizers for short period. Excessive and unbalanced use of fertilizers in the long period, reduce crop yield and soil biological activity, accumulation of nitrates and heavy metals, and finally cause negative environmental effects and increase the cost of production. The use of bio-fertilizers and organic matter are taken into consideration to reduce the use of chemical fertilizers and increase the quality of most crops. Stability and soil fertility through the use of organic fertilizers are important due to having most of the elements required by plants and beneficial effects on physical, chemical, biological and soil fertility. Therefore, the aim of this research was to evaluate the effects of organic, biological and chemical fertilizers on quality and quantity characteristics of coriander. Materials and Methods: In order to study the effects of single and combined applications of organic, biological and chemical fertilizers on quantitative and qualitative characteristics of Coriander (Coriandrum sativum, an experiment was conducted based on a randomized complete block design with three replications and 12 treatments at Research Station, Faculty of Agriculture, Ferdowsi University of Mashhad, Iran, in - 2011. Treatments included: (1 mycorrhizae (Glomus mosseae (2 biosulfur (Thiobacillus sp., (3 chemical fertilizer (NPK, (4 cow manure, 5( vermin compost, 6( mycorrhizae + chemical fertilizer, 7( mycorrhizae + cow manure, 8( mycorrhizae + vermicompost, 9( biosulfur

Chemical Composition, Antimicrobial and Antioxidant Activities of Essential Oils from Organically Cultivated Fennel Cultivars

OpenAIRE

Shahat, Abdelaaty A.; Ibrahim, Abeer Y.; Hendawy, Saber F.; Omer, Elsayed A.; Hammouda, Faiza M.; Abdel-Rahman, Fawzia H.; Saleh, Mahmoud A.

2011-01-01

Essential oils of the fruits of three organically grown cultivars of Egyptian fennel (Foeniculum vulgare var. azoricum, Foeniculum vulgare var. dulce and Foeniculum vulgare var. vulgare) were examined for their chemical constituents, antimicrobial and antioxidant activities. Gas chromatography/mass spectrometry analysis of the essential oils revealed the presence of 18 major monoterpenoids in all three cultivars but their percentage in each oil were greatly different. trans-Anethole, estragol...

[Chemical weapons and chemical terrorism].

Science.gov (United States)

Nakamura, Katsumi

2005-10-01

Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

Single charging events on colloidal particles in a nonpolar liquid with surfactant

Science.gov (United States)

Schreuer, Caspar; Vandewiele, Stijn; Brans, Toon; Strubbe, Filip; Neyts, Kristiaan; Beunis, Filip

2018-01-01

Electrical charging of colloidal particles in nonpolar liquids due to surfactant additives is investigated intensively, motivated by its importance in a variety of applications. Most methods rely on average electrophoretic mobility measurements of many particles, which provide only indirect information on the charging mechanism. In the present work, we present a method that allows us to obtain direct information on the charging mechanism, by measuring the charge fluctuations on individual particles with a precision higher than the elementary charge using optical trapping electrophoresis. We demonstrate the capabilities of the method by studying the influence of added surfactant OLOA 11000 on the charging of single colloidal PMMA particles in dodecane. The particle charge and the frequency of charging events are investigated both below and above the critical micelle concentration (CMC) and with or without applying a DC offset voltage. It is found that at least two separate charging mechanisms are present below the critical micelle concentration. One mechanism is a process where the particle is stripped from negatively charged ionic molecules. An increase in the charging frequency with increased surfactant concentration suggests a second mechanism that involves single surfactant molecules. Above the CMC, neutral inverse micelles can also be involved in the charging process.

Qualitative and qualitative characteristics of milk thistle (Silybum marianum L. in response to organic, biological and chemical fertilizers

Directory of Open Access Journals (Sweden)

R. Yazdani Biuki

2016-04-01

Full Text Available In order to evaluate the effects of organic, biological and chemical fertilizers on yield and yield components of milk thistle (Silybum marianum L., an experiment was conducted at the Research Station of Ferdowsi University of Mashhad based on complete randomized block design with three replications and six treatments during year 2007. Treatments included inoculated seeds with Azotobacter, compost, vermicompost, combination of both Azotobacter and compost treatments, chemical NPK fertilizer and control (without any fertilizer. The traits such as number of branches per plant, plant height, number of inflorescences per plant, inflorescence diameter, number of seeds per capitol, 1000 seed weight, seed yield, biological yield, harvest index, oil percentage, silymarin percentage, silybin percentage, oil yield and silymarin yield were measured. The results showed that application of different types of organic fertilizers had no effect on yield components, but had significant effect on oil percentage of oil, silymarin and silybin of seed. Compost application resulted the highest oil percentage (20.1 compared to other treatments. There was no significant difference between control, chemical fertilizer, compost and Azotobacter treatments on silymarin percentage. In terms of silybin percentage, there was no significant difference between control, compost, Azotobacter and aztobacter+compost treatments. The chemical fertilizer treatment showed the lowest silybin percentage (16.4. There was a positive correlation between plant height and seed yield (r=0.68**. It seems that biofertilizers can consider as a replacement for chemical fertilizers in Milk thistle medicinal plant production.

An absorbing microwave micro-solid-phase extraction device used in non-polar solvent microwave-assisted extraction for the determination of organophosphorus pesticides

International Nuclear Information System (INIS)

Wang Ziming; Zhao Xin; Xu Xu; Wu Lijie; Su Rui; Zhao Yajing; Jiang Chengfei; Zhang Hanqi; Ma Qiang; Lu Chunmei; Dong Deming

2013-01-01

Highlights: ► An absorbing microwave μ-SPE device packed with activated carbon was used. ► Absorbing microwave μ-SPE device was made and used to enrich the analytes. ► Absorbing microwave μ-SPE device was made and used to heat samples directly. ► MAE-μ-SPE was applied to the extraction of OPPs with non-polar solvent only. - Abstract: A single-step extraction-cleanup method, including microwave-assisted extraction (MAE) and micro-solid-phase extraction (μ-SPE), was developed for the extraction of ten organophosphorus pesticides in vegetable and fruit samples. Without adding any polar solvent, only one kind of non-polar solvent (hexane) was used as extraction solvent in the whole extraction step. Absorbing microwave μ-SPE device, was prepared by packing activated carbon with microporous polypropylene membrane envelope, and used as not only the sorbent in μ-SPE, but also the microwave absorption medium. Some experimental parameters effecting on extraction efficiency was investigated and optimized. 1.0 g of sample, 8 mL of hexane and three absorbing microwave μ-SPE devices were added in the microwave extraction vessel, the extraction was carried out under 400 W irradiation power at 60 °C for 10 min. The extracts obtained by MAE-μ-SPE were directly analyzed by GC–MS without any clean-up process. The recoveries were in the range of 93.5–104.6%, and the relative standard deviations were lower than 8.7%.

Selected elements and organic chemicals in bed sediment and fish tissue of the Tualatin River basin, Oregon, 1992-96

Science.gov (United States)

Bonn, Bernadine A.

1999-01-01

A variety of elements and organic compounds have entered the environment as a result of human activities. Such substances find their way to aquatic sediments from direct discharges to waterways, atmospheric emissions, and runoff. Some of these chemicals are known to harm fish or wildlife, either by direct toxicity, by reducing viability, or by limiting reproductive success. In aquatic systems, sediments become the eventual sink for most of these chemicals. Analyzing the sediments provides a first step in a chemical inventory that can lead to an assessment of potential biological impacts (Kennicutt and others, 1994).

Organic and inorganic amendment application on mercury-polluted soils: effects on soil chemical and biochemical properties.

Science.gov (United States)

García-Sánchez, Mercedes; Klouza, Martin; Holečková, Zlata; Tlustoš, Pavel; Száková, Jiřina

2016-07-01

On the basis of a previous study performed in our laboratory, the use of organic and inorganic amendments can significantly modify the Hg mobility in soil. We have compared the effectiveness of organic and inorganic amendments such as digestate and fly ash, respectively, reducing the Hg mobility in Chernozem and Luvisol soils differing in their physicochemical properties. Hence, the aim of this work was to compare the impact of digestate and fly ash application on the chemical and biochemical parameters in these two mercury-contaminated soils in a model batch experiment. Chernozem and Luvisol soils were artificially contaminated with Hg and then incubated under controlled conditions for 21 days. Digestate and fly ash were applied to both soils in a dose of 10 and 1.5 %, respectively, and soil samples were collected after 1, 7, 14, and 21 days of incubation. The presence of Hg in both soils negatively affected to processes such as nitrification, provoked a decline in the soil microbial biomass C (soil microbial biomass C (MBC)), and the microbial activities (arylsulfatase, and β-glucosaminidase) in both soils. Meanwhile, the digestate addition to Chernozem and Luvisol soils contaminated with Hg improved the soil chemical properties (pH, dissolved organic carbon (DOC), N (Ntot), inorganic-N forms (N-NH4 (+) and N-NO3 (-))), as consequence of high content in C and N contained in digestate. Likewise, the soil MBC and soil microbial activities (dehydrogenase, arylsulfatase, and β-glucosaminidase) were greatly enhanced by the digestate application in both soils. In contrast, fly ash application did not have a remarkable positive effect when compared to digestate in Chernozem and Luvisol soil contaminated with mercury. These results may indicate that the use of organic amendments such as digestate considerably improved the soil health in Chernozem and Luvisol compared with fly ash, alleviating the detrimental impact of Hg. Probably, the chemical properties present in

Structural investigation of diglycerol monolaurate reverse micelles in nonpolar oils cyclohexane and octane

International Nuclear Information System (INIS)

Shrestha, Lok Kumar; Aramaki, Kenji

2009-01-01

Structure of diglycerol monolaurate (abbreviated as C 12 G 2 ) micelles in nonpolar oils cyclohexane and n-octane as a function of compositions, temperatures, and surfactant chain length has been investigated by small-angle X-ray scattering (SAXS). The SAXS data were evaluated by the generalized indirect Fourier transformation (GIFT) method and real-space structural information of particles was achieved. Conventional poly(oxyethylene) type nonionic surfactants do not form reverse micelles in oils unless a trace water is added. However, present surfactant C 12 G 2 formed reverse micelle (RM) in cyclohexane and n-octane without addition of water at normal room temperature. A clear signature of one dimensional (1-D) micellar growth was found with increasing C 12 G 2 concentration. On the other hand, increasing temperature or hydrocarbon chain length of surfactant shorten the length of RM, which is essentially a cylinder-to-sphere type transition in the aggregate structure. Drastic changes in the structure of RM, namely, transition of ellipsoidal prolate to long rod-like micelles was observed upon changing oil from cyclohexane to octane. All the microstructural transitions were explained in terms of critical packing parameter. (author)

Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics.

Science.gov (United States)

Acosta, Matias; Schmitt, Ljubomira A; Cazorla, Claudio; Studer, Andrew; Zintler, Alexander; Glaum, Julia; Kleebe, Hans-Joachim; Donner, Wolfgang; Hoffman, Mark; Rödel, Jürgen; Hinterstein, Manuel

2016-07-01

Coupling of order parameters provides a means to tune functionality in advanced materials including multiferroics, superconductors, and ionic conductors. We demonstrate that the response of a frustrated ferroelectric state leads to coupling between order parameters under electric field depending on grain orientation. The strain of grains oriented along a specific crystallographic direction, 〈h00〉, is caused by converse piezoelectricity originating from a ferrodistortive tetragonal phase. For 〈hhh〉 oriented grains, the strain results from converse piezoelectricity and rotostriction, as indicated by an antiferrodistortive instability that promotes octahedral tilting in a rhombohedral phase. Both strain mechanisms combined lead to a colossal local strain of (2.4 ± 0.1) % and indicate coupling between oxygen octahedral tilting and polarization, here termed "rotopolarization". These findings were confirmed with electromechanical experiments, in situ neutron diffraction, and in situ transmission electron microscopy in 0.75Bi1/2Na1/2TiO3-0.25SrTiO3. This work demonstrates that polar and non-polar instabilities can cooperate to provide colossal functional responses.

Contaminants assessment in the coral reefs of Virgin Islands National Park and Virgin Islands Coral Reef National Monument

Science.gov (United States)

Bargar, Timothy A.; Garrison, Virginia H.; Alvarez, David A.; Echols, Kathy

2013-01-01

Coral, fish, plankton, and detritus samples were collected from coral reefs in Virgin Islands National Park (VIIS) and Virgin Islands Coral Reef National Monument (VICR) to assess existing contamination levels. Passive water sampling using polar organic chemical integrative samplers (POCIS) and semi-permeable membrane devices found a few emerging pollutants of concern (DEET and galaxolide) and polynuclear aromatic hydrocarbons. Very little persistent organic chemical contamination was detected in the tissue or detritus samples. Detected contaminants were at concentrations below those reported to be harmful to aquatic organisms. Extracts from the POCIS were subjected to the yeast estrogen screen (YES) to assess potential estrogenicity of the contaminant mixture. Results of the YES (estrogen equivalency of 0.17–0.31 ng/L 17-β-estradiol) indicated a low estrogenicity likelihood for contaminants extracted from water. Findings point to low levels of polar and non-polar organic contaminants in the bays sampled within VICR and VIIS.

Prediction of non-polar gas solubilities in water, alcohols and aqueous alcohol solutions by the modified ASOG method

Energy Technology Data Exchange (ETDEWEB)

Tochigi, K.; Kojima, K.

1982-07-01

This study evaluated a technique for predicting gas solubilities based on a modified ASOG group-contribution method, considering water, alcohols, and aqueous alcohol solutions as the solvents. The nonpolar gaseous solutes considered were oxygen, nitrogen, hydrogen, carbon dioxide, argon, methane, ethane, ethylene, propane, and butane. Gas solubilities were correlated and predicted for a partial gas pressure of 1 atm and a temperature range of 50/sup 0/-100/sup 0/F (10/sup 0/-40/sup 0/C) in pure solvents, and then predicted for the same pressure and temperature range in mixed solvents using only the solubility data for the pure solvents. The deviations between the observed and predicted solubilities averaged 6.0% in pure systems and 10.2% in mixed solvents.

Absorption dynamics of organic chemical transport across trout gills as related to octanol-water partition coefficient

International Nuclear Information System (INIS)

McKim, J.; Schmieder, P.; Veith, G.

1985-01-01

An in vivo fish preparation was used that allowed a direct measure of the transport rates of 14 different organic chemicals across the gills of rainbow trout (Salmo gairdneri). The chemicals, all C14 labeled, were selected from five classes, encompassing a range of octanol-water partition coefficient (log P) values, from 0.23 (ethyl formate) to 7.5 (mirex). The uptake efficiency (extraction efficiency) of each chemical was determined by monitoring the inspired and expired water of trout exposed to each chemical over an exposure period of 1 to 6 hr. The mean gill extraction efficiency for all chemicals tested varied from a low of 7% to a high of 60%, extracted in a single pall of the chemical across the gills. The extraction efficiency of chemicals with log P or 1 or less were low and showed no relationship to log P. These low extraction efficiencies seen at log P of 1 and below with molecular weights below 100 were indicative of aqueous pore transport. The mean extraction efficiency for chemicals with log P values of 1 to 3 seemed to vary directly with log P, to a maximum of slightly greater than 60%, suggesting that uptake was controlled by the lipid membrane. The mean extraction efficiency for chemicals with log P of 3 to 6 was independent of log P and remained at 60%, which suggested that gill uptake was controlled by aqueous diffusion rates rather than gill membrane permeability. The mean extraction efficiency with mirex (log P . 7.5) decreased to 20%

Investigating the role for adaptation of the microbial community to transform trace organic chemicals during managed aquifer recharge

KAUST Repository

Alidina, Mazahirali; Li, Dong; Drewes, Jorg

2014-01-01

This study was undertaken to investigate whether adaptation by pre-exposure to trace organic chemicals (TOrCs) was necessary for microbial transformation during managed aquifer recharge (MAR). Two pairs of laboratory-scale soil columns, each

Effect of asymmetrical transfer coefficients of a non-polarizing beam splitter on the nonlinear error of the polarization interferometer

Science.gov (United States)

Zhao, Chen-Guang; Tan, Jiu-Bin; Liu, Tao

2010-09-01

The mechanism of a non-polarizing beam splitter (NPBS) with asymmetrical transfer coefficients causing the rotation of polarization direction is explained in principle, and the measurement nonlinear error caused by NPBS is analyzed based on Jones matrix theory. Theoretical calculations show that the nonlinear error changes periodically, and the error period and peak values increase with the deviation between transmissivities of p-polarization and s-polarization states. When the transmissivity of p-polarization is 53% and that of s-polarization is 48%, the maximum error reaches 2.7 nm. The imperfection of NPBS is one of the main error sources in simultaneous phase-shifting polarization interferometer, and its influence can not be neglected in the nanoscale ultra-precision measurement.

All-organic microelectromechanical systems integrating specific molecular recognition--a new generation of chemical sensors.

Science.gov (United States)

Ayela, Cédric; Dubourg, Georges; Pellet, Claude; Haupt, Karsten

2014-09-03

Cantilever-type all-organic microelectromechanical systems based on molecularly imprinted polymers for specific analyte recognition are used as chemical sensors. They are produced by a simple spray-coating-shadow-masking process. Analyte binding to the cantilever generates a measurable change in its resonance frequency. This allows label-free detection by direct mass sensing of low-molecular-weight analytes at nanomolar concentrations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Passive sampling of selected endocrine disrupting compounds using polar organic chemical integrative samplers

International Nuclear Information System (INIS)

Arditsoglou, Anastasia; Voutsa, Dimitra

2008-01-01

Two types of polar organic chemical integrative samplers (pharmaceutical POCIS and pesticide POCIS) were examined for their sampling efficiency of selected endocrine disrupting compounds (EDCs). Laboratory-based calibration of POCISs was conducted by exposing them at high and low concentrations of 14 EDCs (4-alkyl-phenols, their ethoxylate oligomers, bisphenol A, selected estrogens and synthetic steroids) for different time periods. The kinetic studies showed an integrative uptake up to 28 days. The sampling rates for the individual compounds were obtained. The use of POCISs could result in an integrative approach to the quality status of the aquatic systems especially in the case of high variation of water concentrations of EDCs. The sampling efficiency of POCISs under various field conditions was assessed after their deployment in different aquatic environments. - Calibration and field performance of polar organic integrative samplers for monitoring EDCs in aquatic environments

Proteomic analysis of the reproductive organs of the hermaphroditic gastropod Lymnaea stagnalis exposed to different endocrine disrupting chemicals.

Directory of Open Access Journals (Sweden)

Arnaud Giusti

Full Text Available Many studies have reported perturbations of mollusc reproduction following exposure to low concentrations (ng/L range of endocrine disrupting chemicals (EDCs. However, the mechanisms of action of these molecules on molluscs are still poorly understood. Investigation of the modifications of protein expression in organisms exposed to chemicals using proteomic methods can provide a broader and more comprehensive understanding of adverse impacts of pollution on organisms than conventional biochemical biomarkers (e.g., heat-shock proteins, metallothioneins, GST, EROD. In this study we have investigated the impacts of four chemicals, which exhibit different endocrine disrupting properties in vertebrates, on the proteome of the hermaphroditic freshwater pulmonate gastropod Lymnaea stagnalis after 21 days of exposure. Testosterone, tributyltin, chlordecone and cyproterone acetate were chosen as tested compounds as they can induce adverse effects on the reproduction of this snail. The 2D-DIGE method was used to identify proteins whose expression was affected by these compounds. In addition to modifying the expression of proteins involved in the structure and function of the cytoskeleton, chemicals had impacts on the expression of proteins involved in the reproduction of L. stagnalis. Exposure to 19.2 µg/L of chlordecone increased the abundance of ovipostatin, a peptide transmitted during mating through seminal fluid, which reduces oviposition in this species. The expression of yolk ferritin, the vitellogenin equivalent in L. stagnalis, was reduced after exposure to 94.2 ng Sn/L of tributyltin. The identification of yolk ferritin and the modification of its expression in snails exposed to chemicals were refined using western blot analysis. Our results showed that the tested compounds influenced the abundance of yolk ferritin in the reproductive organs. Alteration in proteins involved in reproductive pathways (e.g., ovipostatin and yolk ferritin could

Role of primary substrate composition and concentration on attenuation of trace organic chemicals in managed aquifer recharge systems

KAUST Repository

Alidina, Mazahirali; Li, Dong; Ouf, Mohamed; Drewes, Jorg

2014-01-01

This study was undertaken to investigate the role of primary substrate composition and concentration on the attenuation of biodegradable emerging trace organic chemicals (TOrCs) in simulated managed aquifer recharge (MAR) systems. Four sets of soil

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

KAUST Repository

Wang, Zhandong

2017-11-28

Decades of research on the autooxidation of organic compounds have provided fundamental and practical insights into these processes; however, the structure of many key autooxidation intermediates and the reactions leading to their formation still remain unclear. This work provides additional experimental evidence that highly oxygenated intermediates with one or more hydroperoxy groups are prevalent in the autooxidation of various oxygenated (e.g., alcohol, aldehyde, keto compounds, ether, and ester) and nonoxygenated (e.g., normal alkane, branched alkane, and cycloalkane) organic compounds. These findings improve our understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks. The direct observation of highly oxygenated intermediates for the autooxidation of alkanes at 500–600 K builds upon prior observations made in atmospheric conditions for the autooxidation of terpenes and other unsaturated hydrocarbons; it shows that highly oxygenated intermediates are stable at conditions above room temperature. These results further reveal that highly oxygenated intermediates are not only accessible by chemical activation but also by thermal activation. Theoretical calculations on H-atom migration reactions are presented to rationalize the relationship between the organic compound’s molecular structure (n-alkane, branched alkane, and cycloalkane) and its propensity to produce highly oxygenated intermediates via extensive autooxidation of hydroperoxyalkylperoxy radicals. Finally, detailed chemical kinetic simulations demonstrate the influence of these additional reaction pathways on the ignition of practical fuels.

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

KAUST Repository

Wang, Zhandong; Popolan-Vaida, Denisia M.; Chen, Bingjie; Moshammer, Kai; Mohamed, Samah; Wang, Heng; Sioud, Salim; Raji, Misjudeen; Kohse-Hö inghaus, Katharina; Hansen, Nils; Dagaut, Philippe; Leone, Stephen R.; Sarathy, Mani

2017-01-01

Decades of research on the autooxidation of organic compounds have provided fundamental and practical insights into these processes; however, the structure of many key autooxidation intermediates and the reactions leading to their formation still remain unclear. This work provides additional experimental evidence that highly oxygenated intermediates with one or more hydroperoxy groups are prevalent in the autooxidation of various oxygenated (e.g., alcohol, aldehyde, keto compounds, ether, and ester) and nonoxygenated (e.g., normal alkane, branched alkane, and cycloalkane) organic compounds. These findings improve our understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks. The direct observation of highly oxygenated intermediates for the autooxidation of alkanes at 500–600 K builds upon prior observations made in atmospheric conditions for the autooxidation of terpenes and other unsaturated hydrocarbons; it shows that highly oxygenated intermediates are stable at conditions above room temperature. These results further reveal that highly oxygenated intermediates are not only accessible by chemical activation but also by thermal activation. Theoretical calculations on H-atom migration reactions are presented to rationalize the relationship between the organic compound’s molecular structure (n-alkane, branched alkane, and cycloalkane) and its propensity to produce highly oxygenated intermediates via extensive autooxidation of hydroperoxyalkylperoxy radicals. Finally, detailed chemical kinetic simulations demonstrate the influence of these additional reaction pathways on the ignition of practical fuels.

Chemical characterization of organic aerosol above a mid-latitude forest reveals a complex mixture of highly-functionalized chemical species and diverse structural features with temporal variability

Science.gov (United States)

Gentner, D. R.; Ditto, J.; Barnes, E.; Khare, P.

2017-12-01

Highly-functionalized organic compounds are known to be a major component of the complex mixture of the particle-phase compounds that comprise organic aerosol, yet little is known about the identity of many of these compounds, and their formation pathways and roles in atmospheric processes are poorly understood. We present results from the comprehensive chemical speciation of PM10 organic aerosols collected in July 2016 at the remote mid-latitude forest field site during PROPHET. Samples were analyzed via liquid and gas chromatography coupled with a quadrupole time-of-flight tandem mass spectrometry (MS×MS) following electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI). 8 hr samples were collected during day- and night-time sampling periods rather than more typical 24-hour samples. This analysis of the organic aerosol yielded over 12,000 unique compounds for which we have high accuracy molecular masses, formulas, and additional information on structural features using MS×MS. O:C ratios were 0.3 on average, yet the top 10% of compounds ranged 0.7-2.3. 70% and 69% of day- and night-time samples were nitrogen-containing, whereas 26% and 24% contained sulfur, respectively. Within these broader molecular categories, we observed a wide variety of molecular features that reveal a diversity of functional groups and moieties. In this presentation, we present the results of our speciation, temporal variability, connections to air parcel back trajectories and other bulk properties, and potential formation pathways.

Chemical Microsensors For Detection Of Explosives And Chemical Warfare Agents

Science.gov (United States)

Yang, Xiaoguang; Swanson, Basil I.

2001-11-13

An article of manufacture is provided including a substrate having an oxide surface layer and a layer of a cyclodextrin derivative chemically bonded to said substrate, said layer of a cyclodextrin derivative adapted for the inclusion of selected compounds, e.g., nitro-containing organic compounds, therewith. Such an article can be a chemical microsensor capable of detecting a resultant mass change from inclusion of the nitro-containing organic compound.

Chemical evolution of organic aerosol in Los Angeles during the CalNex 2010 study

Directory of Open Access Journals (Sweden)

R. Holzinger

2013-10-01

Full Text Available During the CalNex study (15 May to 16 June 2010 a large suite of instruments was operated at the Los Angeles area ground supersite to characterize the sources and atmospheric processing of atmospheric pollution. The thermal-desorption proton-transfer-reaction mass-spectrometer (TD-PTR-MS was deployed to an urban area for the first time and detected 691 organic ions in aerosol samples, the mean total concentration of which was estimated as 3.3 μg m−3. Based on comparison to total organic aerosol (OA measurements, we estimate that approximately 50% of the OA mass at this site was directly measured by the TD-PTR-MS. Based on correlations with aerosol mass spectrometer (AMS OA components, the ions were grouped to represent hydrocarbon-like OA (HOA, local OA (LOA, semi-volatile oxygenated OA (SV-OOA, and low volatility oxygenated OA (LV-OOA. Mass spectra and thermograms of the ion groups are mostly consistent with the assumed sources and/or photochemical origin of the OA components. The mass spectra of ions representing the primary components HOA and LOA included the highest m/z, consistent with their higher resistance to thermal decomposition, and they were volatilized at lower temperatures (~ 150 °C. Photochemical ageing weakens C-C bond strengths (also resulting in chemical fragmentation, and produces species of lower volatility (through the addition of functional groups. Accordingly the mass spectra of ions representing the oxidized OA components (SV-OOA, and LV-OOA lack the highest masses and they are volatilized at higher temperatures (250–300 °C. Chemical parameters like mean carbon number (nC, mean carbon oxidation state (OSC, and the atomic ratios O / C and H / C of the ion groups are consistent with the expected sources and photochemical processing of the aerosol components. Our data suggest that chemical fragmentation gains importance over functionalization as photochemical age of OA increases. Surprisingly, the photochemical age of

Estimating pesticide sampling rates by the polar organic chemical integrative sampler (POCIS) in the presence of natural organic matter and varying hydrodynamic conditions

Science.gov (United States)

Charlestra, Lucner; Amirbahman, Aria; Courtemanch, David L.; Alvarez, David A.; Patterson, Howard

2012-01-01

The polar organic chemical integrative sampler (POCIS) was calibrated to monitor pesticides in water under controlled laboratory conditions. The effect of natural organic matter (NOM) on the sampling rates (Rs) was evaluated in microcosms containing -1 of total organic carbon (TOC). The effect of hydrodynamics was studied by comparing Rs values measured in stirred (SBE) and quiescent (QBE) batch experiments and a flow-through system (FTS). The level of NOM in the water used in these experiments had no effect on the magnitude of the pesticide sampling rates (p > 0.05). However, flow velocity and turbulence significantly increased the sampling rates of the pesticides in the FTS and SBE compared to the QBE (p < 0.001). The calibration data generated can be used to derive pesticide concentrations in water from POCIS deployed in stagnant and turbulent environmental systems without correction for NOM.

Changes in soil chemical properties as affected by pyrogenic organic matter amendment with different intensity and frequency

NARCIS (Netherlands)

Wang, Ruzhen; Zhang, Yulan; Cerda Bolinches, Artemio; Cao, Mingming; Zhang, Yongyong; Yin, Jinfei; Jiang, Yong; Chen, Lijun

2017-01-01

Pyrogenic organic matter (PyOM) has long been used as a soil amendment to improve soil physicochemical properties. However, few studies simultaneously investigated both intensities and frequencies of PyOM addition on soil chemical properties of soil base cations, soil pH buffering capacity (pHBC),

Model for screening-level assessment of near-field human exposure to neutral organic chemicals released indoors.

Science.gov (United States)

Zhang, Xianming; Arnot, Jon A; Wania, Frank

2014-10-21

Screening organic chemicals for hazard and risk to human health requires near-field human exposure models that can be readily parametrized with available data. The integration of a model of human exposure, uptake, and bioaccumulation into an indoor mass balance model provides a quantitative framework linking emissions in indoor environments with human intake rates (iRs), intake fractions (iFs) and steady-state concentrations in humans (C) through consideration of dermal permeation, inhalation, and nondietary ingestion exposure pathways. Parameterized based on representative indoor and adult human characteristics, the model is applied here to 40 chemicals of relevance in the context of human exposure assessment. Intake fractions and human concentrations (C(U)) calculated with the model based on a unit emission rate to air for these 40 chemicals span 2 and 5 orders of magnitude, respectively. Differences in priority ranking based on either iF or C(U) can be attributed to the absorption, biotransformation and elimination processes within the human body. The model is further applied to a large data set of hypothetical chemicals representative of many in-use chemicals to show how the dominant exposure pathways, iF and C(U) change as a function of chemical properties and to illustrate the capacity of the model for high-throughput screening. These simulations provide hypotheses for the combination of chemical properties that may result in high exposure and internal dose. The model is further exploited to highlight the role human contaminant uptake plays in the overall fate of certain chemicals indoors and consequently human exposure.

Chemical composition and surfactant characteristics of marine foams investigated by means of UV-vis, FTIR and FTNIR spectroscopy.

Science.gov (United States)

Mecozzi, Mauro; Pietroletti, Marco

2016-11-01

In this study, we collected the ultraviolet-visible (UV-vis), Fourier transform infrared (FTIR) and Fourier transform near-infrared (FTNIR) spectra of marine foams from different sites and foams produced by marine living organisms (i.e. algae and molluscs) to retrieve information about their molecular and structural composition. UV-vis spectra gave information concerning the lipid and pigment contents of foams. FTIR spectroscopy gave a more detailed qualitative information regarding carbohydrates, lipids and proteins in addition with information about the mineral contents of foams. FTNIR spectra confirmed the presence of carbohydrates, lipids and proteins in foams. Then, due to the higher content of structural information of FTIR spectroscopy with respect to FTNIR and UV-vis, we join the FTIR spectra of marine foams to those of humic substance from marine sediments and to the spectra of foams obtained by living organisms. We submitted this resulting FTIR spectral dataset to statistical multivariate methods to investigate specific aspects of foams such as structural similarity among foams and in addition, contributions from the organic matter of living organisms. Cluster analysis (CA) evidenced several cases (i.e. clusters) of marine foams having high structural similarity with foams from vegetal and animal samples and with humic substance extracted from sediments. These results suggested that all the living organisms of the marine environment can give contributions to the chemical composition of foams. Moreover, as CA also evidenced cases of structural differences within foam samples, we applied two-dimensional correlation analysis (2DCORR) to the FTIR spectra of marine foams to investigate the molecular characteristics which caused these structural differences. Asynchronous spectra of two-dimensional correlation analysis showed that the structural heterogeneity among foam samples depended reasonably on the presence and on the qualitative difference of

The variation of organ doses with the particle size and chemical form of an inhaled radioactive aerosol

International Nuclear Information System (INIS)

Hunt, B.W.; Adams, N.; Reissland, J.A.

1979-04-01

In this report, radiation doses to organs are calculated as a function of the particle size of the inhaled radioactive material. Aerosols with an Activity Median Aerodynamic Diameter (AMAD) from 0.1 μm to 20 μm are considered and doses accumulated by various organs in periods ranging from 1 day to 70 years are given for 65 radionuclides. A computer program is used which calculates the transformations taking place in each organ per curie of inhaled nuclide from the basic radioactivity and metabolic data. The program also calculates the resulting doses both for the organ in which the transformations occur and from penetrating radiation emitted as a result of transformations in other organs. The effects of particle size and chemical form of the nuclides on the doses received by organs are discussed. Tables of doses accumulated by 10 specific organs and other organs together with effective whole body doses are given for particle sizes 0.1 μm, 1 μm and 10 μm (AMAD). (author)

Predicting Anatomical Therapeutic Chemical (ATC) Classification of Drugs by Integrating Chemical-Chemical Interactions and Similarities

Science.gov (United States)

Chen, Lei; Zeng, Wei-Ming; Cai, Yu-Dong; Feng, Kai-Yan; Chou, Kuo-Chen

2012-01-01

The Anatomical Therapeutic Chemical (ATC) classification system, recommended by the World Health Organization, categories drugs into different classes according to their therapeutic and chemical characteristics. For a set of query compounds, how can we identify which ATC-class (or classes) they belong to? It is an important and challenging problem because the information thus obtained would be quite useful for drug development and utilization. By hybridizing the informations of chemical-chemical interactions and chemical-chemical similarities, a novel method was developed for such purpose. It was observed by the jackknife test on a benchmark dataset of 3,883 drug compounds that the overall success rate achieved by the prediction method was about 73% in identifying the drugs among the following 14 main ATC-classes: (1) alimentary tract and metabolism; (2) blood and blood forming organs; (3) cardiovascular system; (4) dermatologicals; (5) genitourinary system and sex hormones; (6) systemic hormonal preparations, excluding sex hormones and insulins; (7) anti-infectives for systemic use; (8) antineoplastic and immunomodulating agents; (9) musculoskeletal system; (10) nervous system; (11) antiparasitic products, insecticides and repellents; (12) respiratory system; (13) sensory organs; (14) various. Such a success rate is substantially higher than 7% by the random guess. It has not escaped our notice that the current method can be straightforwardly extended to identify the drugs for their 2nd-level, 3rd-level, 4th-level, and 5th-level ATC-classifications once the statistically significant benchmark data are available for these lower levels. PMID:22514724

Physico-Chemical Evolution of Organic Aerosol from Wildfire Emissions

Science.gov (United States)

Croteau, P.; Jathar, S.; Akherati, A.; Galang, A.; Tarun, S.; Onasch, T. B.; Lewane, L.; Herndon, S. C.; Roscioli, J. R.; Yacovitch, T. I.; Fortner, E.; Xu, W.; Daube, C.; Knighton, W. B.; Werden, B.; Wood, E.

2017-12-01

Wildfires are the largest combustion-related source of carbonaceous emissions to the atmosphere; these include direct emissions of black carbon (BC), primary organic aerosol (POA) and semi-volatile, intermediate-volatility, and volatile organic compounds (SVOCs, IVOCs, and VOCs). However, there are large uncertainties surrounding the evolution of these carbonaceous emissions as they are physically and chemically transformed in the atmosphere. To understand these transformations, we performed sixteen experiments using an environmental chamber to simulate day- and night-time chemistry of gas- and aerosol-phase emissions from 6 different fuels at the Fire Laboratory in Missoula, MT. Across the test matrix, the experiments simulated 2 to 8 hours of equivalent day-time aging (with the hydroxyl radical and ozone) or several hours of night-time aging (with the nitrate radical). Aging resulted in an average organic aerosol (OA) mass enhancement of 28% although the full range of OA mass enhancements varied between -10% and 254%. These enhancement findings were consistent with chamber and flow reactor experiments performed at the Fire Laboratory in 2010 and 2012 but, similar to previous studies, offered no evidence to link the OA mass enhancement to fuel type or oxidant exposure. Experiments simulating night-time aging resulted in an average OA mass enhancement of 10% and subsequent day-time aging resulted in a decrease in OA mass of 8%. While small, for the first time, these experiments highlighted the continuous nature of the OA evolution as the wildfire smoke cycled through night- and day-time processes. Ongoing work is focussed on (i) quantifying bulk compositional changes in OA, (ii) comparing the near-field aging simulated in this work with far-field aging simulated during the same campaign (via a mini chamber and flow tube) and (iii) integrating wildfire smoke aging datasets over the past decade to examine the relationship between OA mass enhancement ratios, modified

COMPARISON OF SORPTION ENERGTICS FOR HYDROPHOBIC ORGANIC CHEMICALS BY SYNTHETIC AND NATURAL SORBENTS FROM METHANOL/WATER SOLVENT MIXTURES

Science.gov (United States)

Reversed-phase liquid chromatography (RPLC) was used to investigate the thermodynamics and mechanisms of hydrophobic organic chemical (HOC) retention from methanol/water solvent mixtures. The enthalpy-entropy compensation model was used to infer that the hydro- phobic sorptive me...

Conference on chemical evolution and the origin of life: Self-organization of the macromolecules of life

International Nuclear Information System (INIS)

1993-10-01

The formation of biomolecules was a necessary step in the evolution of life on earth. This interdisciplinary conference emphasized the role of replication in processes of self-organization of biological macromolecules. The present document contains abstracts of the 26 contributions to the conference on chemical evolution. The individual contributions have been indexed separately for the database

The Use of Organic vs. Chemical Fertilizer with a Mineral Losses Tax: The Case of Dutch Arable Farmers

NARCIS (Netherlands)

Feinerman, E.; Komen, M.H.C.

2005-01-01

The paper focuses on farm-level nitrogen fertilization strategies of Dutch arable farmers for analyzing the substitution of organic fertilizers (manure) with chemical fertilizers. The model developed investigates the impact of the major parameters affecting the inferiority of manure compared with

An absorbing microwave micro-solid-phase extraction device used in non-polar solvent microwave-assisted extraction for the determination of organophosphorus pesticides

Energy Technology Data Exchange (ETDEWEB)

Wang Ziming, E-mail: wangziming@jlu.edu.cn [College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); College of Environment and Resources, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Zhao Xin; Xu Xu; Wu Lijie; Su Rui; Zhao Yajing; Jiang Chengfei; Zhang Hanqi [College of Chemistry, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Ma Qiang [Chinese Academy of Inspection and Quarantine, Beijing 100123 (China); Lu Chunmei [College of Technology Center, Jilin Entry-Exit Inspection and Quarantine Bureau, Changchun 130062 (China); Dong Deming [College of Environment and Resources, Jilin University, 2699 Qianjin Street, Changchun 130012 (China)

2013-01-14

Highlights: Black-Right-Pointing-Pointer An absorbing microwave {mu}-SPE device packed with activated carbon was used. Black-Right-Pointing-Pointer Absorbing microwave {mu}-SPE device was made and used to enrich the analytes. Black-Right-Pointing-Pointer Absorbing microwave {mu}-SPE device was made and used to heat samples directly. Black-Right-Pointing-Pointer MAE-{mu}-SPE was applied to the extraction of OPPs with non-polar solvent only. - Abstract: A single-step extraction-cleanup method, including microwave-assisted extraction (MAE) and micro-solid-phase extraction ({mu}-SPE), was developed for the extraction of ten organophosphorus pesticides in vegetable and fruit samples. Without adding any polar solvent, only one kind of non-polar solvent (hexane) was used as extraction solvent in the whole extraction step. Absorbing microwave {mu}-SPE device, was prepared by packing activated carbon with microporous polypropylene membrane envelope, and used as not only the sorbent in {mu}-SPE, but also the microwave absorption medium. Some experimental parameters effecting on extraction efficiency was investigated and optimized. 1.0 g of sample, 8 mL of hexane and three absorbing microwave {mu}-SPE devices were added in the microwave extraction vessel, the extraction was carried out under 400 W irradiation power at 60 Degree-Sign C for 10 min. The extracts obtained by MAE-{mu}-SPE were directly analyzed by GC-MS without any clean-up process. The recoveries were in the range of 93.5-104.6%, and the relative standard deviations were lower than 8.7%.

Transfection efficiency and uptake process of polyplexes in human lung endothelial cells: a comparative study in non-polarized and polarized cells.

Science.gov (United States)

Mennesson, Eric; Erbacher, Patrick; Piller, Véronique; Kieda, Claudine; Midoux, Patrick; Pichon, Chantal

2005-06-01

Following systemic administration, polyplexes must cross the endothelium barrier to deliver genes to the target cells underneath. To design an efficient gene delivery system into lung epithelium, we evaluated capture and transfection efficiencies of DNA complexed with either Jet-PEI (PEI-polyplexes) or histidylated polylysine (His-polyplexes) in human lung microvascular endothelial cells (HLMEC) and tracheal epithelial cells. After optimizing growth conditions to obtain a tight HLMEC monolayer, we characterized uptake of polyplexes by flow cytometry and evaluated their transfection efficiency. Polyplexes were formulated as small particles. YOYO-labelled plasmid fluorescence intensity and luciferase activity were used as readouts for uptake and gene expression, respectively. PEI-polyplexes were more efficiently taken up than His-polyplexes by both non-polarized (2-fold) and polarized HLMEC (10-fold). They were mainly internalized by a clathrin-dependent pathway whatever the cell state. In non-polarized cells, His-polyplexes entered also mainly via a clathrin-dependent pathway but with an involvement of cholesterol. The cell polarization decreased this way and a clathrin-independent pathway became predominant. PEI-polyplexes transfected more efficiently HLMEC than His-polyplexes (10(7) vs. 10(5) relative light units (RLU)/mg of proteins) with a more pronounced difference in polarized cells. In contrast, no negative effect of the cell polarization was observed with tracheal epithelial cells in which both polyplexes had comparable efficiency. We show that the efficiency of polyplex uptake by HLMEC and their internalization mechanism are polymer-dependent. By contrast with His-polyplexes, the HLMEC polarization has little influence on the uptake process and on the transfection efficiency of PEI-polyplexes. Copyright (c) 2005 John Wiley & Sons, Ltd.

Stress-induced chemical detection using flexible metal-organic frameworks.

Science.gov (United States)

Allendorf, Mark D; Houk, Ronald J T; Andruszkiewicz, Leanne; Talin, A Alec; Pikarsky, Joel; Choudhury, Arnab; Gall, Kenneth A; Hesketh, Peter J

2008-11-05

In this work we demonstrate the concept of stress-induced chemical detection using metal-organic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N2 or O2. The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO2. Finally, we report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes.

Optical properties of m-plane GaN grown on patterned Si(112) substrates by MOCVD using a two-step approach

Science.gov (United States)

Izyumskaya, N.; Okur, S.; Zhang, F.; Monavarian, M.; Avrutin, V.; Özgür, Ü.; Metzner, S.; Karbaum, C.; Bertram, F.; Christen, J.; Morkoç, H.

2014-03-01

Nonpolar m-plane GaN layers were grown on patterned Si (112) substrates by metal-organic chemical vapor deposition (MOCVD). A two-step growth procedure involving a low-pressure (30 Torr) first step to ensure formation of the m-plane facet and a high-pressure step (200 Torr) for improvement of optical quality was employed. The layers grown in two steps show improvement of the optical quality: the near-bandedge photoluminescence (PL) intensity is about 3 times higher than that for the layers grown at low pressure, and deep emission is considerably weaker. However, emission intensity from m-GaN is still lower than that of polar and semipolar (1 100 ) reference samples grown under the same conditions. To shed light on this problem, spatial distribution of optical emission over the c+ and c- wings of the nonpolar GaN/Si was studied by spatially resolved cathodoluminescence and near-field scanning optical microscopy.

High index of refraction films for dielectric mirrors prepared by metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Brusasco, R.M.

1989-01-01

A wide variety of metal oxides with high index of refraction can be prepared by Metal-Organic Chemical Vapor Deposition. We present some recent optical and laser damage results on oxide films prepared by MOCVD which could be used in a multilayer structure for highly reflecting (HR) dielectric mirror applications. The method of preparation affects both optical properties and laser damage threshold. 10 refs., 8 figs., 4 tabs

Characterization of organic nitrate constituents of secondary organic aerosol (SOA) from nitrate-radical-initiated oxidation of limonene using high-resolution chemical ionization mass spectrometry

Science.gov (United States)

Faxon, Cameron; Hammes, Julia; Le Breton, Michael; Kant Pathak, Ravi; Hallquist, Mattias

2018-04-01

The gas-phase nitrate radical (NO3⚫) initiated oxidation of limonene can produce organic nitrate species with varying physical properties. Low-volatility products can contribute to secondary organic aerosol (SOA) formation and organic nitrates may serve as a NOx reservoir, which could be especially important in regions with high biogenic emissions. This work presents the measurement results from flow reactor studies on the reaction of NO3⚫ with limonene using a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer (HR-ToF-CIMS) combined with a Filter Inlet for Gases and AEROsols (FIGAERO). Major condensed-phase species were compared to those in the Master Chemical Mechanism (MCM) limonene mechanism, and many non-listed species were identified. The volatility properties of the most prevalent organic nitrates in the produced SOA were determined. Analysis of multiple experiments resulted in the identification of several dominant species (including C10H15NO6, C10H17NO6, C8H11NO6, C10H17NO7, and C9H13NO7) that occurred in the SOA under all conditions considered. Additionally, the formation of dimers was consistently observed and these species resided almost completely in the particle phase. The identities of these species are discussed, and formation mechanisms are proposed. Cluster analysis of the desorption temperatures corresponding to the analyzed particle-phase species yielded at least five distinct groupings based on a combination of molecular weight and desorption profile. Overall, the results indicate that the oxidation of limonene by NO3⚫ produces a complex mixture of highly oxygenated monomer and dimer products that contribute to SOA formation.

Characterization of organic nitrate constituents of secondary organic aerosol (SOA from nitrate-radical-initiated oxidation of limonene using high-resolution chemical ionization mass spectrometry

Directory of Open Access Journals (Sweden)

C. Faxon

2018-04-01

Full Text Available The gas-phase nitrate radical (NO3⚫ initiated oxidation of limonene can produce organic nitrate species with varying physical properties. Low-volatility products can contribute to secondary organic aerosol (SOA formation and organic nitrates may serve as a NOx reservoir, which could be especially important in regions with high biogenic emissions. This work presents the measurement results from flow reactor studies on the reaction of NO3⚫ with limonene using a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer (HR-ToF-CIMS combined with a Filter Inlet for Gases and AEROsols (FIGAERO. Major condensed-phase species were compared to those in the Master Chemical Mechanism (MCM limonene mechanism, and many non-listed species were identified. The volatility properties of the most prevalent organic nitrates in the produced SOA were determined. Analysis of multiple experiments resulted in the identification of several dominant species (including C10H15NO6, C10H17NO6, C8H11NO6, C10H17NO7, and C9H13NO7 that occurred in the SOA under all conditions considered. Additionally, the formation of dimers was consistently observed and these species resided almost completely in the particle phase. The identities of these species are discussed, and formation mechanisms are proposed. Cluster analysis of the desorption temperatures corresponding to the analyzed particle-phase species yielded at least five distinct groupings based on a combination of molecular weight and desorption profile. Overall, the results indicate that the oxidation of limonene by NO3⚫ produces a complex mixture of highly oxygenated monomer and dimer products that contribute to SOA formation.

Polarization-independent rapidly tunable optical add-drop multiplexer utilizing non-polarizing beam splitters in Ti:LiNbO3

Science.gov (United States)

Shin, Yong-Wook; Sung, Won Ju; Eknoyan, O.; Madsen, C. K.; Taylor, H. F.

2012-04-01

A polarization-independent four-port wavelength-tunable optical add drop multiplexer (OADM) that utilizes non-polarizing relaxed beam splitters has been analyzed and demonstrated in Ti:LiNbO3 at the 1530 nm wavelength regime. The design utilizes an asymmetric interferometer configuration with strain induced index grating for polarization coupling along its arms that are shifted in position relative to each other. Experimental results of the filter response agree with theoretical predictions. Electrooptic tuning over a range of 15.7 nm at a rate of 0.08 nm/V has been measured. A temporal response < 46 ns to a 20 V step change in tuning voltage has been demonstrated. Fiber-to-fiber insertion loss is ~ 6.5 dB.

Comparing rankings of selected TRI organic chemicals for two environments using a level III fugacity model and toxicity

International Nuclear Information System (INIS)

Edwards, F.G.; Egemen, E.; Nirmalakhandan, N.

1998-01-01

The Toxics Release Inventory, TRI (USEPA, 1995) is a comprehensive listing of chemicals, mass released, source of releases, and other related information for chemicals which are released into the environment in the US. These chemicals are then ranked according to the mass released as a indication of their environmental impact. Industries have been encouraged to adopt production methods to decrease the release of chemicals which are ranked highly in the TRI. Clearly, this ranking of the chemicals based upon the mass released fails to take into account very important environmental aspects. The first and most obvious aspect is the wide range of toxicity's of the chemicals released. Numerous researchers have proposed systems to rank chemicals according to their toxicity. The second aspect, which a mass released based ranking does not take into account, is the fate and transport of each chemical within the environment. Cohen and Ryan (1985) and Mackay and Paterson (1991) have proposed models to evaluate the fate and transport of chemicals released into the environment. Some authors have incorporated the mass released and toxicity with some fate and transport aspects to rank the impact of released chemicals. But, due to the complexities of modeling the environment, the lack of published data on properties of chemicals, and the lack of information on the speciation of chemicals in complex systems, modeling the fate and transport of toxic chemicals in the environment remains difficult. To provide an indication of the need to rank chemicals according to their environmental impact instead of the mass released, the authors have utilized a subset of 45 organic chemicals from the TRI, modeled the fate and transport of the chemicals using a Level III fugacity model, and compared those equilibrium concentrations with toxicity data to yield a hazard value for each chemical

Relationship between chemical composition and oxidative potential of secondary organic aerosol from polycyclic aromatic hydrocarbons

Science.gov (United States)

Wang, Shunyao; Ye, Jianhuai; Soong, Ronald; Wu, Bing; Yu, Legeng; Simpson, André J.; Chan, Arthur W. H.

2018-03-01

Owing to the complex nature and dynamic behaviors of secondary organic aerosol (SOA), its ability to cause oxidative stress (known as oxidative potential, or OP) and adverse health outcomes remains poorly understood. In this work, we probed the linkages between the chemical composition of SOA and its OP, and investigated impacts from various SOA evolution pathways, including atmospheric oligomerization, heterogeneous oxidation, and mixing with metal. SOA formed from photooxidation of the two most common polycyclic aromatic hydrocarbons (naphthalene and phenanthrene) were studied as model systems. OP was evaluated using the dithiothreitol (DTT) assay. The oligomer-rich fraction separated by liquid chromatography dominates DTT activity in both SOA systems (52 ± 10 % for naphthalene SOA (NSOA), and 56 ± 5 % for phenanthrene SOA (PSOA)). Heterogeneous ozonolysis of NSOA was found to enhance its OP, which is consistent with the trend observed in selected individual oxidation products. DTT activities from redox-active organic compounds and metals were found to be not additive. When mixing with highly redox-active metal (Cu), OP of the mixture decreased significantly for 1,2-naphthoquinone (42 ± 7 %), 2,3-dihydroxynaphthalene (35 ± 1 %), NSOA (50 ± 6 %), and PSOA (43 ± 4 %). Evidence from proton nuclear magnetic resonance (1H NMR) spectroscopy illustrates that such OP reduction upon mixing can be ascribed to metal-organic binding interactions. Our results highlight the role of aerosol chemical composition under atmospheric aging processes in determining the OP of SOA, which is needed for more accurate and explicit prediction of the toxicological impacts from particulate matter.

Prospective Environmental Risk Assessment for Sediment-Bound Organic Chemicals: A Proposal for Tiered Effect Assessment.

Science.gov (United States)

Diepens, Noël J; Koelmans, Albert A; Baveco, Hans; van den Brink, Paul J; van den Heuvel-Greve, Martine J; Brock, Theo C M

A broadly accepted framework for prospective environmental risk assessment (ERA) of sediment-bound organic chemicals is currently lacking. Such a framework requires clear protection goals, evidence-based concepts that link exposure to effects and a transparent tiered-effect assessment. In this paper, we provide a tiered prospective sediment ERA procedure for organic chemicals in sediment, with a focus on the applicable European regulations and the underlying data requirements. Using the ecosystem services concept, we derived specific protection goals for ecosystem service providing units: microorganisms, benthic algae, sediment-rooted macrophytes, benthic invertebrates and benthic vertebrates. Triggers for sediment toxicity testing are discussed.We recommend a tiered approach (Tier 0 through Tier 3). Tier-0 is a cost-effective screening based on chronic water-exposure toxicity data for pelagic species and equilibrium partitioning. Tier-1 is based on spiked sediment laboratory toxicity tests with standard benthic test species and standardised test methods. If comparable chronic toxicity data for both standard and additional benthic test species are available, the Species Sensitivity Distribution (SSD) approach is a more viable Tier-2 option than the geometric mean approach. This paper includes criteria for accepting results of sediment-spiked single species toxicity tests in prospective ERA, and for the application of the SSD approach. We propose micro/mesocosm experiments with spiked sediment, to study colonisation success by benthic organisms, as a Tier-3 option. Ecological effect models can be used to supplement the experimental tiers. A strategy for unifying information from various tiers by experimental work and exposure-and effect modelling is provided.

Characterization of Conventional, Biodynamic, and Organic Purple Grape Juices by Chemical Markers, Antioxidant Capacity, and Instrumental Taste Profile

NARCIS (Netherlands)

Granato, D.; Margraf, T.; Brotzakis, I.; Capuano, E.; Ruth, van S.M.

2015-01-01

The objectives of this study were to characterize organic, biodynamic, and conventional purple grape juices (n = 31) produced in Europe based on instrumental taste profile, antioxidant activity, and some chemical markers and to propose a multivariate statistical model to analyze their quality and

Organic chemical degradation by remote study of the redox conditions

Science.gov (United States)

Fernandez, P. M.; Revil, A.; Binley, A. M.; Bloem, E.; French, H. K.

2014-12-01

Monitoring the natural (and enhanced) degradation of organic contaminants is essential for managing groundwater quality in many parts of the world. Contaminated sites often have limited access, hence non-intrusive methods for studying redox processes, which drive the degradation of organic compounds, are required. One example is the degradation of de-icing chemicals (glycols and organic salts) released to the soil near airport runways during winter. This issue has been broadly studied at Oslo airport, Gardermoen, Norway using intrusive and non-intrusive methods. Here, we report on laboratory experiments that aim to study the potential of using a self-potential, DCresistivity, and time-domain induced polarization for geochemical characterization of the degradation of Propylene Glycol (PG). PG is completely miscible in water, does not adsorb to soil particles and does not contribute to the electrical conductivity of the soil water. When the contaminant is in the unsaturated zone near the water table, the oxygen is quickly consumed and the gas exchange with the surface is insufficient to ensure aerobic degradation, which is faster than anaerobic degradation. Since biodegradation of PG is highly oxygen demanding, anaerobic pockets can exist causing iron and manganese reduction. It is hypothesised that nitrate would boost the degradation rate under such conditions. In our experiment, we study PG degradation in a sand tank. We provide the system with an electron highway to bridge zones with different redox potential. This geo-battery system is characterized by self-potential, resistivity and induced polarization anomalies. An example of preliminary results with self-potential at two different times of the experiment can be seen in the illustration. These will be supplemented with more direct information on the redox chemistry: in-situ water sampling, pH, redox potential and electrical conductivity measurements. In parallel, a series of batch experiments have been

Design of a 50/50 splitting ratio non-polarizing beam splitter based on the modal method with fused-silica transmission gratings

Science.gov (United States)

Zhao, Huajun; Yuan, Dairong; Ming, Hai

2011-04-01

The optical design of a beam splitter that has a 50/50 splitting ratio regardless of the polarization is presented. The non-polarizing beam splitter (NPBS) is based on the fused-silica rectangular transmission gratings with high intensity tolerance. The modal method has been used to estimate the effective index of the modes excited in the grating region for TE and TM polarizations. If a phase difference equals an odd multiples of π/2 for the first two modes (i.e. modes 0 and 1), the incident light will be diffracted into the 0 and -1 orders with about 50% and 50% diffraction efficiency for TM and TE polarizations, respectively.

SHIFTING WEED COMPOSITIONS AND BIOMASS PRODUCTION IN SWEET CORN FIELD TREATED WITH ORGANIC COMPOSTS AND CHEMICAL WEED CONTROLS

Directory of Open Access Journals (Sweden)

Marulak Simarmata

2015-10-01

Full Text Available The objectives of the research were to study the shift of weed compositions in sweet corn field treated with organic compost and chemical weed controls and to compare the effect of treatment combinations on weed growth, weed biomass and sweet corn biomass. The research was conducted in Bengkulu, Indonesia, from April to July 2014. Results showed that the number of weed species decreased after the trials from 14 to 13. There was a shift in weed compositions because 5 species of weeds did not emerge after the trials, but 4 new species were found. Chemical weed control used a herbiside mixture of atrazine and mesotrione applied during postemergence was the most effective method to control weeds, which was observed on decreased weed emergence and weed biomass down to 22.33 and 25.00 percent of control, respectively. Subsequently, biomass production of sweet corn increased up to 195.64 percent at the same trials. Biomass of weeds and sweet corn were also affected by the organic composts. Weed biomass was inhibited by treatment of composted empty fruith bunches of oil palm, whereas significantly increased of sweet corn biomass were observed in the plots of organic manure.

An in vitro method for detecting chemical sensitization using human reconstructed skin models and its applicability to cosmetic, pharmaceutical, and medical device safety testing.

Science.gov (United States)

McKim, James M; Keller, Donald J; Gorski, Joel R

2012-12-01

Chemical sensitization is a serious condition caused by small reactive molecules and is characterized by a delayed type hypersensitivity known as allergic contact dermatitis (ACD). Contact with these molecules via dermal exposure represent a significant concern for chemical manufacturers. Recent legislation in the EU has created the need to develop non-animal alternative methods for many routine safety studies including sensitization. Although most of the alternative research has focused on pure chemicals that possess reasonable solubility properties, it is important for any successful in vitro method to have the ability to test compounds with low aqueous solubility. This is especially true for the medical device industry where device extracts must be prepared in both polar and non-polar vehicles in order to evaluate chemical sensitization. The aim of this research was to demonstrate the functionality and applicability of the human reconstituted skin models (MatTek Epiderm(®) and SkinEthic RHE) as a test system for the evaluation of chemical sensitization and its potential use for medical device testing. In addition, the development of the human 3D skin model should allow the in vitro sensitization assay to be used for finished product testing in the personal care, cosmetics, and pharmaceutical industries. This approach combines solubility, chemical reactivity, cytotoxicity, and activation of the Nrf2/ARE expression pathway to identify and categorize chemical sensitizers. Known chemical sensitizers representing extreme/strong-, moderate-, weak-, and non-sensitizing potency categories were first evaluated in the skin models at six exposure concentrations ranging from 0.1 to 2500 µM for 24 h. The expression of eight Nrf2/ARE, one AhR/XRE and two Nrf1/MRE controlled gene were measured by qRT-PCR. The fold-induction at each exposure concentration was combined with reactivity and cytotoxicity data to determine the sensitization potential. The results demonstrated that

Nanospikes functionalization as a universal strategy to disperse hydrophilic particles in non-polar media

Science.gov (United States)

Hang, Tian; Chen, Hui-Jiuan; Wang, Ji; Lin, Di-an; Wu, Jiangming; Liu, Di; Cao, Yuhong; Yang, Chengduan; Liu, Chenglin; Xiao, Shuai; Gu, Meilin; Pan, Shuolin; Wu, Mei X.; Xie, Xi

2018-05-01

Dispersion of hydrophilic particles in non-polar media has many important applications yet remains difficult. Surfactant or amphiphilic functionalization was conventionally applied to disperse particles but is highly dependent on the particle/solvent system and may induce unfavorable effects and impact particle hydrophilic nature. Recently 2 μm size polystyrene microbeads coated with ZnO nanospikes have been reported to display anomalous dispersity in phobic media without using surfactant or amphiphilic functionalization. However, due to the lack of understanding whether this phenomenon was applicable to a wider range of conditions, little application has been derived from it. Here the anomalous dispersity phenomenons of hydrophilic microparticles covered with nanospikes were systematically assessed at various conditions including different particle sizes, material compositions, particle morphologies, solvent hydrophobicities, and surface polar groups. Microparticles were functionalized with nanospikes through hydrothermal route, followed by dispersity test in hydrophobic media. The results suggest nanospikes consistently prevent particle aggregation in various particle or solvent conditions, indicating the universal applicability of the anomalous dispersion phenomenons. This work provides insight on the anomalous dispersity of hydrophilic particles in various systems and offers potential application to use this method for surfactant-free dispersions.

Geochemical induced degradation of environmental chemicals

Energy Technology Data Exchange (ETDEWEB)

Parlar, H

1984-09-01

Attempts to correlate the concentration of organic chemicals in the environment with their production figures have resulted in a large deficit; this includes environmental chemicals such as chlorinated hydrocarbons. It has been assumed that analytical errors accounted for this deficit. Another explanation, however, allows for reactions of compounds under biotic and abiotic conditions. Because of the biostability of many organic chemicals biological transformation mechanisms can bring about slight change only. By contrast, abiotic environmental factors such as the UV-irradiation or decomposition on natural surfaces contribute considerably to the transformation of this substance class. An investigation of such abiotic charges of organic chemicals must therefore pay particular attention to dynamic and catalytic effects primarily attributable to the respective molecular state and interactions with the environment. This paper deals with the photoinduced reactions of organic substances adsorbed on natural surfaces and their significance for the degradability of environmental chemicals.

Towards a molecular level understanding of the sulfanilamide-soil organic matter-interaction

Energy Technology Data Exchange (ETDEWEB)

Ahmed, Ashour A., E-mail: ashour.ahmed@uni-rostock.de [University of Rostock, Institute of Physics, Albert-Einstein-Str. 23-24, D-18059 Rostock (Germany); Steinbeis GmbH & Co. KG für Technologietransfer, 70174 Stuttgart (Germany); University of Cairo, Faculty of Science, Department of Chemistry, 12613 Giza (Egypt); Thiele-Bruhn, Sören, E-mail: thiele@uni-trier.de [University of Trier, Soil Science, D-54286 Trier (Germany); Leinweber, Peter, E-mail: peter.leinweber@uni-rostock.de [Steinbeis GmbH & Co. KG für Technologietransfer, 70174 Stuttgart (Germany); University of Rostock, Soil Science, D-18051 Rostock (Germany); Kühn, Oliver, E-mail: oliver.kuehn@uni-rostock.de [University of Rostock, Institute of Physics, Albert-Einstein-Str. 23-24, D-18059 Rostock (Germany)

2016-07-15

Sorption experiments of sulfanilamide (SAA) on well-characterized samples of soil size-fractions were combined with the modeling of SAA-soil-interaction via quantum chemical calculations. Freundlich unit capacities were determined in batch experiments and it was found that they increase with the soil organic matter (SOM) content according to the order fine silt > medium silt > clay > whole soil > coarse silt > sand. The calculated binding energies for mass-spectrometrically quantified sorption sites followed the order ionic species > peptides > carbohydrates > phenols and lignin monomers > lignin dimers > heterocyclic compounds > fatty acids > sterols > aromatic compounds > lipids, alkanes, and alkenes. SAA forms H-bonds through its polar centers with the polar SOM sorption sites. In contrast dispersion and π-π-interactions predominate the interaction of the SAA aromatic ring with the non-polar moieties of SOM. Moreover, the dipole moment, partial atomic charges, and molecular volume of the SOM sorption sites are the main physical properties controlling the SAA-SOM-interaction. Further, reasonable estimates of the Freundlich unit capacities from the calculated binding energies have been established. Consequently, we suggest using this approach in forthcoming studies to disclose the interactions of a wide range of organic pollutants with SOM. - Highlights: • Experiment and theory showed that SAA obeys a site-specific sorption on soil surfaces. • SAA-SOM-interaction increases by increasing polarity of SOM sorption site. • H-bonds, dispersion, and π-π-interactions were observed for SAA-SOM-interaction. • Dipole moment and atomic charges of SOM sorption sites control SAA-SOM-interaction. • The Freundlich unit capacities were estimated from the calculated binding energies. • The current SOM model is flexible to describe interactions of SOM with other pollutants.

Impact of organic carbon and nutrients mobilized during chemical oxidation on subsequent bioremediation of a diesel-contaminated soil

NARCIS (Netherlands)

Sutton, N.B.; Grotenhuis, J.T.C.; Rijnaarts, H.H.M.

2014-01-01

Remediation with in situ chemical oxidation (ISCO) impacts soil organic matter (SOM) and the microbial community, with deleterious effects on the latter being a major hurdle to coupling ISCO with in situ bioremediation (ISB). We investigate treatment of a diesel-contaminated soil with Fenton’s

Stress-induced chemical detection using flexible metal-organic frameworks.

Energy Technology Data Exchange (ETDEWEB)

Allendorf, Mark D.; Hesketh, Peter J. (Georgia Institute of Technology, Atlanta, GA); Gall, Kenneth A. (Georgia Institute of Technology, Atlanta, GA); Choudhury, A. (Georgia Institute of Technology, Atlanta, GA); Pikarsky, J. (Georgia Institute of Technology, Atlanta, GA); Andruszkiewicz, Leanne (Georgia Institute of Technology, Atlanta, GA); Houk, Ronald J. T.; Talin, Albert Alec (National Institute of Standards & Technology, Gaithersburg, MD)

2009-09-01

In this work we demonstrate the concept of stress-induced chemical detection using metal-organic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be efficiently converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N{sub 2} or O{sub 2}. The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO{sub 2}. We also report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes. A force field model is described that successfully predicts changes in MOF properties and the uptake of gases. This model is used to predict adsorption isotherms for a number of representative compounds, including explosives, nerve agents, volatile organic compounds, and polyaromatic hydrocarbons. The results show that, as a result of relatively large heats of adsorption (> 20 kcal mol{sup -1}) in most cases, we expect an onset of adsorption by MOF as low as 10{sup -6} kPa, suggesting the potential to detect compounds such as RDX at levels as low as 10 ppb at atmospheric pressure.

Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships

International Nuclear Information System (INIS)

Zukowska, Barbara; Breivik, Knut; Wania, Frank

2006-01-01

We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties

Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships

Energy Technology Data Exchange (ETDEWEB)

Zukowska, Barbara [Department of Analytical Chemistry, Chemical Faculty, Gdansk University of Technology, 11/12 G. Narutowicza St., 80-952 Gdansk (Poland); Breivik, Knut [NILU- Norwegian Institute for Air Research, P.O. Box 100, NO-2027 Kjeller (Norway)]. E-mail: knut.breivik@nilu.no; Wania, Frank [Department of Physical and Environmental Sciences, University of Toronto at Scarborough, 1265 Military Trail, Scarborough, Ontario, M1C 1A4 (Canada)

2006-04-15

We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties.

Combining polar organic chemical integrative samplers (POCIS) with toxicity testing to evaluate pesticide mixture effects on natural phototrophic biofilms

International Nuclear Information System (INIS)

Pesce, Stephane; Morin, Soizic; Lissalde, Sophie; Montuelle, Bernard; Mazzella, Nicolas

2011-01-01

Polar organic chemical integrative samplers (POCIS) are valuable tools in passive sampling methods for monitoring polar organic pesticides in freshwaters. Pesticides extracted from the environment using such methods can be used to toxicity tests. This study evaluated the acute effects of POCIS extracts on natural phototrophic biofilm communities. Our results demonstrate an effect of POCIS pesticide mixtures on chlorophyll a fluorescence, photosynthetic efficiency and community structure. Nevertheless, the range of biofilm responses differs according to origin of the biofilms tested, revealing spatial variations in the sensitivity of natural communities in the studied stream. Combining passive sampler extracts with community-level toxicity tests offers promising perspectives for ecological risk assessment. - Research highlights: → Polar organic chemical integrative samplers (POCIS) were used for monitoring polar organic pesticides in a contaminated river. → The acute effects of POCIS extracts were tested on natural phototrophic biofilm communities. → POCIS pesticide mixtures affected chlorophyll a fluorescence, photosynthetic efficiency and community structure. → Biofilm responses differed according to origin of the biofilms tested, revealing variations in the sensitivity of natural communities. → Combining passive sampler extracts with community-level toxicity tests offers promising perspectives for ecological risk assessment. - Pesticide mixtures extracted from POCIS can affect chl a fluorescence, photosynthetic efficiency and community structure of natural biofilms.

Parallel artificial liquid membrane extraction as an efficient tool for removal of phospholipids from human plasma

DEFF Research Database (Denmark)

Ask, Kristine Skoglund; Bardakci, Turgay; Parmer, Marthe Petrine

2016-01-01

Generic Parallel Artificial Liquid Membrane Extraction (PALME) methods for non-polar basic and non-polar acidic drugs from human plasma were investigated with respect to phospholipid removal. In both cases, extractions in 96-well format were performed from plasma (125μL), through 4μL organic...

Distribution of nonionic organic compounds (highly volatile chlorinated hydrocarbons) in the unsaturated zone

Energy Technology Data Exchange (ETDEWEB)

Grathwohl, P.

1988-01-01

Nonpolar pollutants, e.g. highly volatile chlorinated hydrocarbons (HVCH) are more or less equally distributed among all three soil phases (solids, water, air) in the unsaturated zone. The sorption of HVCH on soil solids depends on the amount and type of organic matter in the soil. For wet material an additional sorption on mineral surfaces can be neglected, since all possible sites for sorption are occupied by water. Provided the partition-coefficients or sorption-constants are known the contamination of the whole system can be evaluated from the pollutant concentration in the soil air; in addition it is possible to estimate a groundwater risk.

Effect of Organic Amendments and Chemical Fertilization in Production of Corn (Zea Mays L.

Directory of Open Access Journals (Sweden)

Fabio Emilio Forero Ulloa

2014-11-01

Full Text Available Corn is grown in 135 countries, and because of its uses and nutritional benefits is the world's most important cereal. In Colombia it is grown in various agro-ecological conditions of production. The bagasse is an organic residue resulting from the grinding of sugar cane (Saccharum officinarum L., used for the production of jaggery (solid resulting of boiling and evaporation of the juice from sugar cane, which can be used as an amendment and is a soil conditioner, as a rich source of phosphorus, calcium and nitrogen. The aim of the research was to evaluate the effect of bagasse against the application of other organic sources and chemical fertilization in maize, variety ICA-V-305. For this, a completely random statistical design with four treatments and absolute control was established. Results were subjected to analysis of variance and Tukey comparison test. Applying Bagasse + Abimgra® produced the greatest number of ears of corn, while the use of only bagasse, presented the second best results in terms of number of grains / ear and weight of 100 grains of corn, therefore bagasse becomes , through time, an important option as organic amendment, which would favor the production of corn, and an option as organic fertilizer.

Instrumental Neutron Activation Analysis applied to the study of chemical element accumulation in organs of Rhinella schneideri (Werner, 1894)

Energy Technology Data Exchange (ETDEWEB)

Bardini Junior, Claudiney; Fernandes, Elisabete A. de Nadai, E-mail: lis@cena.usp.br [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil); Santos, Katarine M. Barbosa; Silva Neto, Luiz J. da; Santos, Robson A. dos; Silva, Karolayne E.M.; França, Elvis J. de, E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciências Nucleares do Nordeste (DIAMB/CRCN-NE/CNEN-PE), Recife, PE (Brazil). Div. de Monitoração Ambiental

2017-07-01

Instrumental Neutron Activation Analysis (INAA) is a multielementar technique with high sensitivity, and can be applied to study small samples. Therefore, this research proposes using the INAA for quantifying the accumulation of chemical elements in organs of anuran amphibians Rhinella schneideri (Werner, 1894). Male individuals were collected on areas with anthropogenic influence close to water resources on the campus of ESALQ/USP in 2009. The animals were sacrificed in a cold chamber and dissected to separate their kidneys, livers, lungs and skins. After cleaning, the organs were lyophilized and pulverized. Samples weighing from 200 to 500 mg were placed in polyethylene capsules to be irradiated. The INAA technique, based on the bombardment of samples with neutrons for the production of radionuclides, was applied using the Nuclear Research Reactor of the Nuclear and Energy Research Institute. Portions of certified reference materials were used to evaluate the quality of the analytical procedure. The mass fractions were quantified by the k0 method, and the results indicated differences among the As, Br, Co, Cr, Fe, Hg, Sc, Se and Zn concentrations in the analyzed organs. Therefore, it was possible to calculate the bioaccumulation indexes relative to these chemical elements for the species. In addition, it was possible to infer the contamination pathways: As, Br, Co, Cr and Se by ingestion and Co, Fe, Hg, Sc and Zn by contact, which corroborated the usage of R. schneideri anuran as a biomonitor of chemical elements. (author)

Instrumental Neutron Activation Analysis applied to the study of chemical element accumulation in organs of Rhinella schneideri (Werner, 1894)

International Nuclear Information System (INIS)

Bardini Junior, Claudiney; Fernandes, Elisabete A. de Nadai; Santos, Katarine M. Barbosa; Silva Neto, Luiz J. da; Santos, Robson A. dos; Silva, Karolayne E.M.; França, Elvis J. de

2017-01-01

Instrumental Neutron Activation Analysis (INAA) is a multielementar technique with high sensitivity, and can be applied to study small samples. Therefore, this research proposes using the INAA for quantifying the accumulation of chemical elements in organs of anuran amphibians Rhinella schneideri (Werner, 1894). Male individuals were collected on areas with anthropogenic influence close to water resources on the campus of ESALQ/USP in 2009. The animals were sacrificed in a cold chamber and dissected to separate their kidneys, livers, lungs and skins. After cleaning, the organs were lyophilized and pulverized. Samples weighing from 200 to 500 mg were placed in polyethylene capsules to be irradiated. The INAA technique, based on the bombardment of samples with neutrons for the production of radionuclides, was applied using the Nuclear Research Reactor of the Nuclear and Energy Research Institute. Portions of certified reference materials were used to evaluate the quality of the analytical procedure. The mass fractions were quantified by the k0 method, and the results indicated differences among the As, Br, Co, Cr, Fe, Hg, Sc, Se and Zn concentrations in the analyzed organs. Therefore, it was possible to calculate the bioaccumulation indexes relative to these chemical elements for the species. In addition, it was possible to infer the contamination pathways: As, Br, Co, Cr and Se by ingestion and Co, Fe, Hg, Sc and Zn by contact, which corroborated the usage of R. schneideri anuran as a biomonitor of chemical elements. (author)

Final Report: Fiscal Year 1997 demonstration of omnivorous non-thermal mixed waste treatment: Direct chemical oxidation of organic solids and liquids using peroxydisulfate

International Nuclear Information System (INIS)

Cooper, J.F.; Ballazs G.B.

1998-01-01

Direct Chemical Oxidation (DCO) is a non-thermal, ambient pressure, aqueous-based technology for the oxidative destruction of the organic components of hazardous or mixed waste streams. The process has been developed for applications in waste treatment, chemical demilitarization and decontamination at LLNL since 1992. The process uses solutions of the peroxydisulfate ion (typically sodium or ammonium salts) to completely mineralize the organics to carbon dioxide and water. The expended oxidant may be electrolytically regenerated to minimize secondary waste. The paper briefly describes: free radical and secondary oxidant formation; electrochemical regeneration; offgas stream; and throughput

Final Report: Fiscal Year 1997 demonstration of omnivorous non-thermal mixed waste treatment: Direct chemical oxidation of organic solids and liquids using peroxydisulfate

Energy Technology Data Exchange (ETDEWEB)

Cooper, J.F.

1998-01-01

Direct Chemical Oxidation (DCO) is a non-thermal, ambient pressure, aqueous-based technology for the oxidative destruction of the organic components of hazardous or mixed waste streams. The process has been developed for applications in waste treatment, chemical demilitarization and decontamination at LLNL since 1992. The process uses solutions of the peroxydisulfate ion (typically sodium or ammonium salts) to completely mineralize the organics to carbon dioxide and water. The expended oxidant may be electrolytically regenerated to minimize secondary waste. The paper briefly describes: free radical and secondary oxidant formation; electrochemical regeneration; offgas stream; and throughput.

Physico-chemical protection, rather than biochemical composition, governs the responses of soil organic carbon decomposition to nitrogen addition in a temperate agroecosystem.

Science.gov (United States)

Tan, Wenbing; Wang, Guoan; Huang, Caihong; Gao, Rutai; Xi, Beidou; Zhu, Biao

2017-11-15

The heterogeneous responses of soil organic carbon (SOC) decomposition in different soil fractions to nitrogen (N) addition remain elusive. In this study, turnover rates of SOC in different aggregate fractions were quantified based on changes in δ 13 C following the conversion of C 3 to C 4 vegetation in a temperate agroecosystem. The turnover of both total organic matter and specific organic compound classes within each aggregate fraction was inhibited by N addition. Moreover, the intensity of inhibition increases with decreasing aggregate size and increasing N addition level, but does not vary among chemical compound classes within each aggregate fraction. Overall, the response of SOC decomposition to N addition is dependent on the physico-chemical protection of SOC by aggregates and minerals, rather than the biochemical composition of organic substrates. The results of this study could help to understand the fate of SOC in the context of increasing N deposition. Copyright © 2017 Elsevier B.V. All rights reserved.

Soil Chemical Properties and Nutrient Uptake of Cocoa as Affected by Application of Different Organic Matters and Phosphate Fertilizers

Directory of Open Access Journals (Sweden)

Sugiyanto Sugiyanto

2008-07-01

Full Text Available Effort repair of land quality better be done by simultan namely with application of organic matters and inorganic fertilization. The objective of this research is to study the effect of varied organic matters source and phosphate fertilizers on the chemicals soil characteristic and cocoa nutrient uptake. The experiment was laid experimentally in split-plot design and environmentally in randomized complete block design. The main plot was source of P consisted of, control, SP 36 and rock phosphate in dosage of 200 mg P2O5 per kg of air dry soil. Source of organic matter as sub-plot consisted of control (no organic matter, cow dung, cocoa pod husk compost and sugar cane filter cake, each in dosage of 2.5 and 5.0%. Result of this experiment showed application of cow dung, cocoa pod husk compost and sugar cane filter cake increased content of C, N, Ca exchangeable, Fe available, and pH in soil, and SP 36 increased availability of P in soil. Application of sugar cane filter cake increased N, K, Ca, Mg, and SO4 uptake but did not increase Cl uptake, application of cow dung in dosage 5% increased N, K, and Cl uptake and cocoa pod husk compost dosage 5% increased N and K uptake of cocoa. SP 36 increased Mg uptake of cocoa but rock phosphate did not increase it. They were not interaction between organic matters and phosphate fertilizers to nutrient uptake of cocoa. Nutrient soil content as affected by organic matters correlated with nutrient uptake of cocoa.Key words : soil chemical properties, nutrient uptake, cocoa, organic matter, phosphate fertlizers.

An Introduction to the Foundations of Chemical Information Theory. Tarski–Lesniewski Logical Structures and the Organization of Natural Sorts and Kinds

Directory of Open Access Journals (Sweden)

Jerry L. R. Chandler

2017-01-01

Full Text Available Organic mathematics is an applied mathematics of philosophical atomism. The order of the chemical elements in the table of elements is the source of order for the logical operations of addition and subtraction of atomic numbers. The inverse square laws of physics are the source of organization of subatomic structures of chemical atoms (atomic and molecular structures. These facts are foundational to the logic of the chemical sciences and are therefore the scientific basis for chemical information theory. The theories and facts of the chemical sciences are so perplex that several forms of symbolic representations are necessary to communicate the broad range of scientific concepts used to inquire into the nature of natural sorts and kinds. The logics proposed by Tarski, Lesniewski and Malatesta are applied to the construction of a numerical “spine” of perplex numbers representing atomic numbers as meta-symbols in meta-languages. The orbital angular momenta of certain collections of electrical particles (also known as “handedness” are critical components in constructing the logical propositions of the perplex number “spine”. Biological communication channels can function if and only if the natural sorts and kinds are consistent with the matching patterns of the optical isomers. The terms spinners and twisters are introduced to express the electro-mechanical torques necessary for encoding chemical information. This hypothesis can be tested by several categories of experiments, including clinical pharmaco-dynamics and clinical toxico-dynamics of dissymmetric isomers of different sorts and kinds.

Determination of inorganic arsenic in algae using bromine halogenation and on-line nonpolar solid phase extraction followed by hydride generation atomic fluorescence spectrometry.

Science.gov (United States)

Zhang, Weihong; Qi, Yuehan; Qin, Deyuan; Liu, Jixin; Mao, Xuefei; Chen, Guoying; Wei, Chao; Qian, Yongzhong

2017-08-01

Accurate, stable and fast analysis of toxic inorganic arsenic (iAs) in complicated and arsenosugar-rich algae matrix is always a challenge. Herein, a novel analytical method for iAs in algae was reported, using bromine halogenation and on-line nonpolar solid phase extraction (SPE) followed by hydride generation atomic fluorescence spectrometry (HG-AFS). The separation of iAs from algae was first performed by nonpolar SPE sorbent using Br - for arsenic halogenation. Algae samples were extracted with 1% perchloric acid. Then, 1.5mL extract was reduced by 1% thiourea, and simultaneously reacted (for 30min) with 50μL of 10% KBr for converting iAs to AsBr 3 after adding 3.5mL of 70% HCl to 5mL. A polystyrene (PS) resin cartridge was employed to retain arsenicals, which were hydrolyzed, eluted from the PS resin with H 2 O, and categorized as iAs. The total iAs was quantified by HG-AFS. Under optimum conditions, the spiked recoveries of iAs in real algae samples were in the 82-96% range, and the method achieved a desirable limit of detection of 3μgkg -1 . The inter-day relative standard deviations were 4.5% and 4.1% for spiked 100 and 500μgkg -1 respectively, which proved acceptable for this method. For real algae samples analysis, the highest presence of iAs was found in sargassum fusiforme, followed by kelp, seaweed and laver. Copyright © 2017 Elsevier B.V. All rights reserved.

Effects of organic, biological and chemical fertilizers on vegetative indices and essential oil content of coriander (Coriandrum sativum L.

Directory of Open Access Journals (Sweden)

M Aghhavani Shajari

2016-05-01

Full Text Available This experiment was conducted to study the effects of single and combined application of organic, biological and chemical fertilizers on qualitative and quantitative characteristics of vegetative part of coriander, (Coriandrum sativum L.. The experiment was carried out as split plot in time based on Complete Randomized Block Design with three replications and 12 treatments at Research Station, Faculty of Agriculture, Ferdowsi University of Mashhad, Iran, during growing season of 2010-2011. Treatments included: (1 mycorrhiza (Glomus mosseae, (2 biosulfur (Thiobacillus sp., (3 chemical fertilizer (NPK, (4 cow manure, (5 vermicompost, (6 mycorrhiza + chemical fertilizer, (7 mycorrhiza + cow manure, (8 mycorrhiza + vermicompost, (9 biosulfur + chemical fertilizer, (10 biosulfur + cow manure, (11 biosulfur + vermicompost and (12 control. Vegetative parts of coriander were cut at 5% of flowering stage in two dates (19 May and 5 June. Results showed that the highest plant height (28 cm and lateral branches (5.2 were obtained in combined application of biosulfur with cow manure treatment. The highest fresh and dry leaf weight, fresh and dry matter yield and stem dry matter weight were obtained in single application of chemical fertilizer. Single application of biosulfur increased leaf/stem ratio. The highest essential oil percentage and essential oil yield were observed in cow manure treatment (0.2% and 1753 g.ha-1, respectively. The maximum leaf/stem ratio were observed in the first cutting, while the highest lateral branches, stem fresh and dry matter yield, essential oil percentage and essential oil yield were obtained in second cut. Overall, results of this study showed that the plant vegetative yield increased by using chemical fertilizer, while essential oil percentage and essential oil yield of coriander were improved by using organic and biological fertilizers.

Extraction of medium chain fatty acids from organic municipal waste and subsequent production of bio-based fuels.

Science.gov (United States)

Kannengiesser, Jan; Sakaguchi-Söder, Kaori; Mrukwia, Timo; Jager, Johannes; Schebek, Liselotte

2016-01-01

This paper provides an overview on investigations for a new technology to generate bio-based fuel additives from bio-waste. The investigations are taking place at the composting plant in Darmstadt-Kranichstein (Germany). The aim is to explore the potential of bio-waste as feedstock in producing different bio-based products (or bio-based fuels). For this investigation, a facultative anaerobic process is to be integrated into the normal aerobic waste treatment process for composting. The bio-waste is to be treated in four steps to produce biofuels. The first step is the facultative anaerobic treatment of the waste in a rotting box namely percolate to generate a fatty-acid rich liquid fraction. The Hydrolysis takes place in the rotting box during the waste treatment. The organic compounds are then dissolved and transferred into the waste liquid phase. Browne et al. (2013) describes the hydrolysis as an enzymatically degradation of high solid substrates to soluble products which are further degraded to volatile fatty acids (VFA). This is confirmed by analytical tests done on the liquid fraction. After the percolation, volatile and medium chain fatty acids are found in the liquid phase. Concentrations of fatty acids between 8.0 and 31.5 were detected depending on the nature of the input material. In the second step, a fermentation process will be initiated to produce additional fatty acids. Existing microorganism mass is activated to degrade the organic components that are still remaining in the percolate. After fermentation the quantity of fatty acids in four investigated reactors increased 3-5 times. While fermentation mainly non-polar fatty acids (pentanoic to octanoic acid) are build. Next to the fermentation process, a chain-elongation step is arranged by adding ethanol to the fatty acid rich percolate. While these investigations a chain-elongation of mainly fatty acids with pair numbers of carbon atoms (acetate, butanoic and hexanoic acid) are demonstrated. After

The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van 't Hoff.

Science.gov (United States)

Yang, Zhongyue; Houk, K N

2018-03-15

Jacobus Henricus van 't Hoff was the first Nobel Laureate in Chemistry. He pioneered in the study of chemical dynamics, which referred at that time to chemical kinetics and thermodynamics. The term has evolved in modern times to refer to the exploration of chemical transformations in a time-resolved fashion. Chemical dynamics has been driven by the development of molecular dynamics trajectory simulations, which provide atomic visualization of chemical processes and illuminate how dynamic effects influence chemical reactivity and selectivity. In homage to the legend of van 't Hoff, we review the development of the chemical dynamics of organic reactions, our area of research. We then discuss our trajectory simulations of pericyclic reactions, and our development of dynamic criteria for concerted and stepwise reaction mechanisms. We also describe a method that we call environment-perturbed transition state sampling, which enables trajectory simulations in condensed-media using quantum mechanics and molecular mechanics (QM/MM). We apply the method to reactions in solvent and in enzyme. Jacobus Henricus van 't Hoff (1852, Rotterdam-1911, Berlin) received the Nobel Prize for Chemistry in 1901 "in recognition of the extraordinary services he has rendered by the discovery of the laws of chemical dynamics and osmotic pressure in solutions". van 't Hoff was born the Netherlands, and earned his doctorate in Utrecht in 1874. In 1896 he moved to Berlin, where he was offered a position with more research and less teaching. van 't Hoff is considered one of the founders of physical chemistry. A key step in establishing this new field was the start of Zeitschrift für Physikalische Chemie in 1887. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Organic and mineral fertilization and chemical composition of lemon balm (Melissa officinalis essential oil

Directory of Open Access Journals (Sweden)

Ana Carolina B. Sodré

2011-10-01

Full Text Available Melissa officinalis L., Lamiaceae, is an herb with great growth prospects in the cosmetic industry due to its essential oil. In order to improve its production, it is necessary to study related agricultural practices. This study evaluated the effect of organic and mineral fertilization on the chemical composition of lemon balm (Melissa officinalis L. essential oil. The assay was conducted at the "Fazenda Experimental do Glória" of the Federal University of Uberlândia, and essential oil extraction and GC/MS analyses were completed by the Centre for Research and Development on Plant Genetic Resources of the Campinas Agronomic Institute. The assay was conducted in a randomized complete block design with three replications. The tested treatments were six types of fertilization (0, 1, 2, 4, 8 kg.m-2 of cattle manure and mineral fertilizing with 60 g.m-2 of NPK 4-14-8 + 4 g.m-2 of boric acid with four replications. The essential oil was extracted by hydrodistillation in a modified Clevenger apparatus. The chemical composition was analyzed by GC/MS. The essential oil presented the same compounds for all treatments; however, the relative proportion of some chemical constituents was altered according to the treatment. Neral, geranial, and citronellal were the major constituents.

Organic and mineral fertilization and chemical composition of lemon balm (Melissa officinalis essential oil

Directory of Open Access Journals (Sweden)

Ana Carolina B. Sodré

2012-02-01

Full Text Available Melissa officinalis L., Lamiaceae, is an herb with great growth prospects in the cosmetic industry due to its essential oil. In order to improve its production, it is necessary to study related agricultural practices. This study evaluated the effect of organic and mineral fertilization on the chemical composition of lemon balm (Melissa officinalis L. essential oil. The assay was conducted at the "Fazenda Experimental do Glória" of the Federal University of Uberlândia, and essential oil extraction and GC/MS analyses were completed by the Centre for Research and Development on Plant Genetic Resources of the Campinas Agronomic Institute. The assay was conducted in a randomized complete block design with three replications. The tested treatments were six types of fertilization (0, 1, 2, 4, 8 kg.m-2 of cattle manure and mineral fertilizing with 60 g.m-2 of NPK 4-14-8 + 4 g.m-2 of boric acid with four replications. The essential oil was extracted by hydrodistillation in a modified Clevenger apparatus. The chemical composition was analyzed by GC/MS. The essential oil presented the same compounds for all treatments; however, the relative proportion of some chemical constituents was altered according to the treatment. Neral, geranial, and citronellal were the major constituents.

A New Class of Metal-Cyclam-Based Zirconium Metal–Organic Frameworks for CO ₂ Adsorption and Chemical Fixation

Energy Technology Data Exchange (ETDEWEB)

Zhu, Jie [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Usov, Pavel M. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Xu, Wenqian [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS) and X-ray Science Division; Celis-Salazar, Paula J. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Lin, Shaoyang [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Kessinger, Matthew C. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Landaverde-Alvarado, Carlos [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemical Engineering and Macromolecules Innovation Inst.; Cai, Meng [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; May, Ann M. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Slebodnick, Carla [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry; Zhu, Dunru [Nanjing Univ. of Technology (China). State Key Lab. of Materials-Oriented Chemical Engineering (MCE) and College of Chemical Engineering; Senanayake, Sanjaya D. [Brookhaven National Lab. (BNL), Upton, NY (United States). Dept. of Chemistry; Morris, Amanda J. [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Chemistry and Macromolecules Innovation Inst.

2017-12-22

Metal-organic frameworks (MOFs) have shown great promise in catalysis, mainly due to their high content of active centers, large internal surface areas, tunable pore size, and versatile chemical functionalities. However, it is a challenge to rationally design and construct MOFs that can serve as highly stable and reusable heterogeneous catalysts. Here two new robust 3D porous metal-cyclam-based zirconium MOFs, denoted VPI-100 (Cu) and VPI-100 (Ni), have been prepared by a modulated synthetic strategy. The frameworks are assembled by eight-connected Zr-6 clusters and metallocyclams as organic linkers. Importantly, the cyclam core has accessible axial coordination sites for guest interactions and maintains the electronic properties exhibited by the parent cyclam ring. The VPI-100 MOFs exhibit excellent chemical stability in various organic and aqueous solvents over a wide pH range and show high CO2 uptake capacity (up to similar to 9.83 wt% adsorption at 273 K under 1 atm). Moreover, VPI-100 MOFs demonstrate some of the highest reported catalytic activity values (turnover frequency and conversion efficiency) among Zr-based MOFs for the chemical fixation of CO2 with epoxides, including sterically hindered epoxides. The MOFs, which bear dual catalytic sites (Zr and Cu/Ni), enable chemistry not possible with the cyclam ligand under the same conditions and can be used as recoverable stable heterogeneous catalysts without losing performance.

Organic chemistry and radiochemistry: study of chemical interactions between iodine and paint of French nuclear reactor in a severe accident situation

International Nuclear Information System (INIS)

Aujollet, Y.

2005-01-01

In Phebus (French in pile facility; PWR scale 1/5000) experiments, performed by the Institut de Radioprotection et de Surete Nucleaire, few quantities of organic iodides were registered after interaction between iodine and reactor containment paint. This study concerns all mechanisms of chemical reactions between iodine and the polymer of the paint in order to estimate the organic iodides released from the paint. At first, all the paint components had been identified. Several models of chemical sites of the polymer were synthesized and tested with iodine in different conditions of temperature and radiation. These experiments showed interactions between iodine and secondary or tertiary amines by charge transfer. In few cases, the complex of tertiary amines creates oxidation reactions. (author)

Studying the response of CR-39 to radon in non-polar liquids above water by Monte Carlo simulation and measurement

International Nuclear Information System (INIS)

Rezaie, Mohammad Reza; Sohrabi, Mehdi; Negarestani, Ali

2013-01-01

The application of CR-39 has been extensive for measurement of radon and progeny in air of dwellings, but limited as regards to measurements of radon in water. In this paper, a new method is introduced for efficient measurement of radon in water by registering alpha particle tracks in a CR-39 detector placed in a non-polar medium such as cyclohexane, hexane and olive oil when each mixed with water, then separated and fixed above water, as a two-phase media. The method introduced here is however different from the widely used liquid - liquid extraction technique by liquid scintillation spectrometry since it is a passive detection method (CR-39) in a non-polar liquid with enhanced absorption of radon in the liquid, it has a capability for long sample counting to decrease the minimum detection limit (MDL), it does not require sophisticated low light counting systems, and it has the potential for simultaneous measurements of large number of samples for large-scale applications. It also has a low cost and is readily available. A new Monte Carlo calculation of energy-distance travelled by alphas from radon and progeny in a medium was also investigated. The sensitivity of CR-39 detector to radon and progeny in water was determined under two conditions; in a single-phase and two-phase media. In a single-phase medium, CR-39 is directly placed either in air, water, cyclohexane, hexane or olive oil. When CR-39 is placed directly in water, its sensitivity is (2.4 ± 0.1) × 10 −4 (track/cm 2 )/(Bq.d/m 3 ). In the two-phase media, CR-39 is placed either in cyclohexane, hexane or olive oil when each is fixed above water. The sensitivities in the two-phase media are significantly enhanced and are respectively (1.98 ± 0.10) × 10 −2 , (2.8 ± 0.15) × 10 −2 and (2.86 ± 0.15) × 10 −2 (track/cm 2 )/(Bq.d/m 3 ). The sensitivies are about 76, 82 and 110 times more than that of when CR-39 is directly placed in water. The new method is a novel alternative for radon

Effects of compost organic amendments on chemical composition and in vitro digestibility of alfalfa (Medicago sativa L.

Directory of Open Access Journals (Sweden)

Francesco Montemurro

2010-01-01

Full Text Available The following fertiliser treatments were compared during the years 2002 and 2003 on alfalfa forage (Medicago sativa L.: compost obtained from the organic fraction of the Municipal Solid Waste (MSW; olive pomace compost (OPC; mineral fertiliser (Min. All the treatments allowed a distribution of 75kg ha-1 of P2O5. Three cuttings occurred: at 168, 206 and 351 days after compost application (DAA in 2002; 119, 152 and 320 DAA in 2003. Cumulative biomass and dry matter yields were measured during each experimental year. Furthermore, chemical composition and in vitro digestibility of dry matter (DMd, organic matter (OMd, crude protein (CPd and NDF (NDFd were determined. MSW treatment showed a significantly (P<0.01 higher content of ADL than OPC and Min (77.0, 66.0 and 65.0g kg-1 DM, respectively. Fertiliser treatments also affected (P<0.01 digestibility parameters. In fact, DMd and OMd values showed the same trend with lower percentages in MSW treatment than in the OPC and Min ones. The NDFd differed in all treatments having the highest value in OPC (40.1%. The results indicated that the soil distribution of organic materials offer the possibility to reduce the application of mineral fertilisers and production costs without decreasing alfalfa yield, forage chemical composition and in vitro digestibility.

Chemical Transformation Simulator

Science.gov (United States)

The Chemical Transformation Simulator (CTS) is a web-based, high-throughput screening tool that automates the calculation and collection of physicochemical properties for an organic chemical of interest and its predicted products resulting from transformations in environmental sy...

Life Cycle Risks for Human Health: A Comparison of Petroleum Versus Bio-Based Production of Five Bulk Organic Chemicals

NARCIS (Netherlands)

Roes, A.L.; Patel, M.K.

2007-01-01

This article describes the development and application of a generic approach to the comparative assessment of risks related to the production of organic chemicals by petrochemical processes versus white biotechnology. White biotechnology, also referred to as industrial biotechnology, typically uses

Epitaxial growth of Sb-doped nonpolar a-plane ZnO thin films on r-plane sapphire substrates by RF magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Chen, Hou-Guang, E-mail: houguang@isu.edu.tw [Department of Materials Science and Engineering, I-Shou University, Kaohsiung 840, Taiwan (China); Hung, Sung-Po [Department of Materials Science and Engineering, I-Shou University, Kaohsiung 840, Taiwan (China)

2014-02-15

Highlights: ► Sb-doped nonpolar a-plane ZnO layers were epitaxially grown on sapphire substrates. ► Crystallinity and electrical properties were studied upon growth condition and doping concentration. ► The out-of-plane lattice spacing of ZnO films reduces monotonically with increasing Sb doping level. ► The p-type conductivity of ZnO:Sb film is closely correlated with annealing condition and Sb doping level. -- Abstract: In this study, the epitaxial growth of Sb-doped nonpolar a-plane (112{sup ¯}0) ZnO thin films on r-plane (11{sup ¯}02) sapphire substrates was performed by radio-frequency magnetron sputtering. The influence of the sputter deposition conditions and Sb doping concentration on the microstructural and electrical properties of Sb-doped ZnO epitaxial films was investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM) and the Hall-effect measurement. The measurement of the XRD phi-scan indicated that the epitaxial relationship between the ZnO:Sb layer and sapphire substrate was (112{sup ¯}0){sub ZnO}//(11{sup ¯}02){sub Al{sub 2O{sub 3}}} and [11{sup ¯}00]{sub ZnO}//[112{sup ¯}0]{sub Al{sub 2O{sub 3}}}. The out-of-plane a-axis lattice parameter of ZnO films was reduced monotonically with the increasing Sb doping level. The cross-sectional transmission electron microscopy (XTEM) observation confirmed the absence of any significant antimony oxide phase segregation across the thickness of the Sb-doped ZnO epitaxial film. However, the epitaxial quality of the films deteriorated as the level of Sb dopant increased. The electrical properties of ZnO:Sb film are closely correlated with post-annealing conditions and Sb doping concentrations.

Pulsed injection metal organic chemical vapour deposition and characterisation of thin CaO films

International Nuclear Information System (INIS)

Borges, R.P.; Ferreira, P.; Saraiva, A.; Goncalves, R.; Rosa, M.A.; Goncalves, A.P.; Silva, R.C. da; Magalhaes, S.; Lourenco, M.J.V.; Santos, F.J.V.; Godinho, M.

2009-01-01

Thin films of CaO were grown on silicon (Si) and lanthanum aluminate (LaAlO 3 ) substrates by pulsed injection metal-organic chemical vapour deposition in a vertical injection MOCVD system. Growth parameters were systematically varied to study their effect on film growth and quality and to determine the optimal growth conditions for this material. Film quality and growth rate were evaluated by atomic force microscopy, X-ray diffraction and Rutherford Backscattering Spectroscopy measurements. Optimised conditions allowed growing transparent, single phase films textured along the (0 0 l) direction.

Solid-Phase Microextraction Coupled to Capillary Atmospheric Pressure Photoionization-Mass Spectrometry for Direct Analysis of Polar and Nonpolar Compounds.

Science.gov (United States)

Mirabelli, Mario F; Zenobi, Renato

2018-04-17

A novel capillary ionization source based on atmospheric pressure photoionization (cAPPI) was developed and used for the direct interfacing between solid-phase microextraction (SPME) and mass spectrometry (MS). The efficiency of the source was evaluated for direct and dopant-assisted photoionization, analyzing both polar (e.g., triazines and organophosphorus pesticides) and nonpolar (polycyclic aromatic hydrocarbons, PAHs) compounds. The results show that the range of compound polarity, which can be addressed by direct SPME-MS can be substantially extended by using cAPPI, compared to other sensitive techniques like direct analysis in real time (DART) and dielectric barrier discharge ionization (DBDI). The new source delivers a very high sensitivity, down to sub parts-per-trillion (ppt), making it a viable alternative when compared to previously reported and less comprehensive direct approaches.

An autonomous organic reaction search engine for chemical reactivity

Science.gov (United States)

Dragone, Vincenza; Sans, Victor; Henson, Alon B.; Granda, Jaroslaw M.; Cronin, Leroy

2017-06-01

The exploration of chemical space for new reactivity, reactions and molecules is limited by the need for separate work-up-separation steps searching for molecules rather than reactivity. Herein we present a system that can autonomously evaluate chemical reactivity within a network of 64 possible reaction combinations and aims for new reactivity, rather than a predefined set of targets. The robotic system combines chemical handling, in-line spectroscopy and real-time feedback and analysis with an algorithm that is able to distinguish and select the most reactive pathways, generating a reaction selection index (RSI) without need for separate work-up or purification steps. This allows the automatic navigation of a chemical network, leading to previously unreported molecules while needing only to do a fraction of the total possible reactions without any prior knowledge of the chemistry. We show the RSI correlates with reactivity and is able to search chemical space using the most reactive pathways.

Oxygenated Organic Chemicals in the Pacific Troposphere: Distribution, Sources and Chemistry

Science.gov (United States)

Singh, Hanwant B.; Salas, L.; Chatfield, R.; Czech, E.; Fried, A.; Evans, M.; Jacob, D. J.; Blake, D.; Heikes, B.; Talbot, R.

2003-01-01

Airborne measurements of a large number of oxygenated organic chemicals (Oxorgs) were carried out in the Pacific troposphere (0.1-12 km) in the Spring of 2001 (Feb. 24-April 10). Specifically these measuremen ts included acetone, methylethyl ketone (MEK), methanol, ethanol, ace taldehyde, propionaldehyde, PANS, and organic nitrates. Complementary measurements of formaldehyde, organic peroxides, and tracers were al so available. Ox-orgs were abundant in the clean troposphere and were greatly enhanced in the outflow regions from Asia. Their mixing ratios were typically highest in the lower troposphere and declined toward s the upper troposphere and the lowermost stratosphere. Their total a bundance (Ox-orgs) significantly exceeded that of NMHC (C2-C8 NMHC). A comparison of these data with observations collected some seven yea rs earlier (Feb.-March, 1994), did not reveal any significant changes . Throughout the troposphere mixing ratios of Ox-orgs were strongly c orrelated with each other as well as with tracers of fossil and bioma sshiof'uel combustion. Analysis of the relative enhancement of selected Oxorgs with respect to CH3Cl and CO in twelve sampled plumes, origi nating from fires, is used to assess their primary and secondary sour ces from biomass combustion. The composition of these plumes also ind icates a large shift of reactive nitrogen into the PAN reservoir ther eby limiting ozone formation. The Harvard 3-D photochemical model, th at uses state of the art chemistry and source information, is used to compare simulated and observed mixing ratios of selected species. A 1 -D model is used to explore the chemistry of aldehydes. These results will be presented.

Metal-Organic Frameworks for Resonant-Gravimetric Detection of Trace-Level Xylene Molecules.