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Trimethylbenzenes (Interagency Science Discussion Draft)

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The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Emission reduction potential in a light-duty diesel engine fueled by JP-8

Authors: Lee, J; Lee, J; Chu, S; Choi, H; Min, K (2015) HERO ID: 3017974

[Less] In this research, the effects of EGR (exhaust gas recirculation) and multiple injection strategy with . . . [More] In this research, the effects of EGR (exhaust gas recirculation) and multiple injection strategy with two pilots on the emissions and combustion characteristics of JP-8 fueled light-duty diesel engine were systemically investigated. Also, the potential of reducing NOx (nitrogen oxides) and PM (particulate matter) emissions with JP-8 in a light-duty diesel engine was evaluated. To understand the combustion phenomenon of JP-8, two different injection modes (single injection and multiple injection with two pilots) were applied. Under the single injection mode, the difference in the ignition delay between using JP-8 and diesel fuel became clear. Differently, under multiple injections with two pilots, the ignition delays of both cases were nearly the same due to the higher in the cylinder temperature cause by the combustion of the pilot injections. Finally, under multiple injection mode, more EGR (exhaust gas recirculation) could be applied to JP-8 combustion than in conventional diesel combustion while maintaining the same mass fraction burned 50% (MFB 50) to attain the same fuel conversion efficiency. As a result, NOx and PM emissions could be reduced by half when using JP-8 without decreasing the fuel conversion efficiency. (C) 2015 Elsevier Ltd. All rights reserved.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Catalytic Upgrading of 5-Hydroxymethylfurfural to Drop-in Biofuels by Solid Base and Bifunctional Metal-Acid Catalysts

Authors: Bohre, A; Saha, B; Abu-Omar, MM (2015) ChemSusChem 8:4022-4029. HERO ID: 3044606

[Less] Design and synthesis of effective heterogeneous catalysts for the conversion of biomass intermediates . . . [More] Design and synthesis of effective heterogeneous catalysts for the conversion of biomass intermediates into long chain hydrocarbon precursors and their subsequent deoxygenation to hydrocarbons is a viable strategy for upgrading lignocellulose into distillate range drop-in biofuels. Herein, we report a two-step process for upgrading 5-hydroxymethylfurfural (HMF) to C9 and C11 fuels with high yield and selectivity. The first step involves aldol condensation of HMF and acetone with a water tolerant solid base catalyst, zirconium carbonate (Zr(CO3 )x ), which gave 92 % C9 -aldol product with high selectivity at nearly 100 % HMF conversion. The as-synthesised Zr(CO3 )x was analysed by several analytical methods for elucidating its structural properties. Recyclability studies of Zr(CO3 )x revealed a negligible loss of its activity after five consecutive cycles over 120 h of operation. Isolated aldol product from the first step was hydrodeoxygenated with a bifunctional Pd/Zeolite-β catalyst in ethanol, which showed quantitative conversion of the aldol product to n-nonane and 1-ethoxynonane with 40 and 56 % selectivity, respectively. 1-Ethoxynonane, a low oxygenate diesel range fuel, which we report for the first time in this paper, is believed to form through etherification of the hydroxymethyl group of the aldol product with ethanol followed by opening of the furan ring and hydrodeoxygenation of the ether intermediate.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Comprehensive Analysis of Structure Activity Relationships of α-Ketoheterocycles as sn-1-Diacylglycerol Lipase α Inhibitors

Authors: Janssen, FJ; Baggelaar, MP; Hummel, JJ; Overkleeft, HS; Cravatt, BF; Boger, DL; van der Stelt, M (2015) HERO ID: 3044598

[Less] Diacylglycerol lipase α (DAGLα) is responsible for the formation of the endocannabinoid 2-arachidonoylglycerol . . . [More] Diacylglycerol lipase α (DAGLα) is responsible for the formation of the endocannabinoid 2-arachidonoylglycerol (2-AG) in the central nervous system. DAGLα inhibitors are required to study the physiological role of 2-AG. Previously, we identified the α-ketoheterocycles as potent and highly selective DAGLα inhibitors. Here, we present the first comprehensive structure-activity relationship study of α-ketoheterocycles as DAGLα inhibitors. Our findings indicate that the active site of DAGLα is remarkably sensitive to the type of heterocyclic scaffold with oxazolo-4N-pyridines as the most active framework. We uncovered a fundamental substituent effect in which electron-withdrawing meta-oxazole substituents increased inhibitor potency. (C6-C9)-acyl chains with a distal phenyl group proved to be the most potent inhibitors. The integrated SAR data was consistent with the proposed binding pose in a DAGLα homology model. Altogether our results may guide the design of future DAGLα inhibitors as leads for molecular therapies to treat neuroinflammation, obesity and related metabolic disorders.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Heterobimetallic Zeolite, InV-ZSM-5, Enables Efficient Conversion of Biomass Derived Ethanol to Renewable Hydrocarbons

Authors: Narula, CK; Li, Z; Casbeer, EM; Geiger, RA; Moses-Debusk, M; Keller, M; Buchanan, MV; Davison, BH (2015) Scientific Reports 5:16039. HERO ID: 3044612

[Less] Direct catalytic conversion of ethanol to hydrocarbon blend-stock can increase biofuels use in current . . . [More] Direct catalytic conversion of ethanol to hydrocarbon blend-stock can increase biofuels use in current vehicles beyond the ethanol blend-wall of 10-15%. Literature reports describe quantitative conversion of ethanol over zeolite catalysts but high C2 hydrocarbon formation renders this approach unsuitable for commercialization. Furthermore, the prior mechanistic studies suggested that ethanol conversion involves endothermic dehydration step. Here, we report the complete conversion of ethanol to hydrocarbons over InV-ZSM-5 without added hydrogen and which produces lower C2 (<13%) as compared to that over H-ZSM-5. Experiments with C2H5OD and in situ DRIFT suggest that most of the products come from the hydrocarbon pool type mechanism and dehydration step is not necessary. Thus, our method of direct conversion of ethanol offers a pathway to produce suitable hydrocarbon blend-stock that may be blended at a refinery to produce fuels such as gasoline, diesel, JP-8, and jet fuel, or produce commodity chemicals such as BTX.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Evaluation of Optimal Pore Size of (3-Aminopropyl)triethoxysilane Grafted MCM-41 for Improved CO2 Adsorption

Authors: Liu, Z; Teng, Y; Zhang, Kai (2015) HERO ID: 3044692

[Less] An array of new MCM-41 with substantially larger average pore diameters was synthesized through adding . . . [More] An array of new MCM-41 with substantially larger average pore diameters was synthesized through adding 1,3,5-trimethylbenzene (TMB) as the swelling agent to explore the effect of pore size on final adsorbent properties. The pore expanded MCM-41 was also grafted with (3-Aminopropyl)triethoxysilane (APTES) to determine the optimal pore size for CO2 adsorption. The pore-expanded mesoporous MCM-41s showed relatively less structural regularity but significant increments of pore diameter (4.64 to 7.50 nm); the fraction of mesopore volume also illustrated an increase. The adsorption heat values were correlated with the order of the adsorption capacities for pore expanded MCM-41s. After amine functionalization, the adsorption capacities and heat values showed a significant increase. APTES-grafted pore-expanded MCM-41s depicted a high potential for CO2 capture regardless of the major drawback of the high energy required for regeneration.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Effect of stereo-configurational difference of carbohydrate model compound on the reaction with active oxygen species under oxygen delignification conditions

Authors: Nakagawa, A; Yokoyama, T; Matsumoto, Y (2015) HERO ID: 3044715

[Less] We examined how the stereo-configurational difference affects the reaction of a carbohydrate model compound . . . [More] We examined how the stereo-configurational difference affects the reaction of a carbohydrate model compound with active oxygen species (AOS) generated in situ by reactions between O-2 and a phenolic compound under conditions similar to those of oxygen delignification or with oxyl anion radical, the conjugate base of hydroxyl radical, generated by the decomposition of H2O2 under alkaline conditions. As the phenolic compound, 2,4,6-trimethylphenol or 4-hydroxy-3-methoxybenzyl alcohol (vanillyl alcohol) was used. The carbohydrate model compounds employed were methyl beta-d-glucopyranoside (MGP beta) and its 4 epimers, methyl alpha-d-glucopyranoside (MGP alpha), methyl beta-d-mannopyranoside (MMP), methyl beta-d-allopyranoside (MAP), and methyl beta-d-galactopyranoside (MGaP). Their stabilities were in the order of MGP alpha > MGP beta > MMP > MGaP > MAP, indicating that the reactivity of the carbohydrate model compound is significantly dependent on where the stereo-configurational difference is. Only the co-existence of MMP enhanced the degradation of MGP beta, when a pair of MGP beta and another carbohydrate model compound was reacted with the AOS. This result suggests that the profile of AOS in the system is dependent not only on the type of phenolic compound, the generator of AOS, but also on that of the carbohydrate model compound.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Thermal Annealing Effect on Optical Absorption Spectra of Poly(3-hexylthiophene): Unmodified-C-60 Composites

Author: Tada, K (2015) HERO ID: 3044624

[Less] The combination of a halogen-free solvent 1,2,4-trimethylbenzene and unmodified fullerene potentially . . . [More] The combination of a halogen-free solvent 1,2,4-trimethylbenzene and unmodified fullerene potentially provides a way to develop environmentally-friendly and cost-effective solution-processed organic photocells. In this paper, the thermal annealing effect on the optical absorption spectra in poly(3-hexylthiophene): unmodified-C-60 composites with various compositions is reported. It is found that the onset temperature of the absorption spectrum change is higher in the composites with higher fullerene content. It is speculated that strong interaction between the polymer main chain and C-60 tends to suppress the reorientation of polymer main chains in a composite with high C-60 content.

Abstract
Abstract

INVESTIGATION ON THE HYDROGEN ABSTRACTION FROM METHYL GLUCOSIDE BY ACTIVE OXYGEN SPECIES UNDER OXYGEN DELIGNIFICATION CONDITIONS. PART 5: COMPREHENSIVE RESULTS ON EXPERIMENTS USING DEUTERIUM-LABELED METHYL GLUCOSIDES

Authors: Yokoyama, T; Nakagawa, A; Matsumoto, Y (2015) HERO ID: 3044593

[Less] A pair of carbohydrate model compounds, methyl beta-D-glucopyranoside (MGP) and a deuterated MGP labeled . . . [More] A pair of carbohydrate model compounds, methyl beta-D-glucopyranoside (MGP) and a deuterated MGP labeled at each C-H bond, was reacted with active oxygen species (AOS) generated from reactions between O-2 and a co-existing phenolic compound, 2,4,6-trimethylphenol (TMPh) or 4-hydroxy-3-methoxybenzyl alcohol (vanillyl alcohol, Valc), under O-2 delignification conditions. The pair were also reacted with O radical anion generated in the alkaline H2O2 treatment with the addition of FeCl3. Clear kinetic isotope effects were observed only in the reactions of two pairs using the deuterated MGPs labeled at the anomeric and C-2 positions in this system. These results suggest that at least a specific AOS is generated only in this system and that a major AOS in the O(2)(-)Valc system is highly reactive O radical anion It is also suggested that the AOS specifically generated only in this system is a peroxyl radical derived by the combination reaction between the TMPh phenoxyl radical and O-2.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Synthesis, Crystal Structure, Spectroscopic Characterization and Thermal Stability Properties of a Trinuclear Zinc(II) Complex

Authors: Li Chang-Hong; Li Wei; Hu Han-Xiang; Hu Bo-Nian (2015) HERO ID: 3044683

[Less] A new trinuclear zinc complex Zn-3(2,2'-biPY)(2)(3,5-DMBA)(6).(H2O)1,5 (1) with 3,5-dimethylbenzoic . . . [More] A new trinuclear zinc complex Zn-3(2,2'-biPY)(2)(3,5-DMBA)(6).(H2O)1,5 (1) with 3,5-dimethylbenzoic acid (3,5-DMBA) and 2,2'-bipyridine as ligands has been synthesized in the mixed solvents of methanol and water. It crystallizes in the monoclinic space group C2/c with a = 31.1497(15), b = 11.7576(6), c = 20.9049(10) A, = 118.4550(10), V = 6731.4(6) angstrom(3), D-c, = 1.412 g/cm(3), Z = 4, F(000) = 2972, GOOF = 1.069, the final R= 0.0667 and wR= 0.1917. The whole molecule consists of three zinc ions, six 3,5-DMBA molecules, two 2,2'-bipyridine molecules and one and half water molecules, in which three zinc ions are bridged by six mu(2)-eta(1):eta(0)-carboxylate groups of 3,5-DMBA". The Zn(1) atom is centrosymmetric, and adopts a distorted octahedral ZnO6 geometry, while the Zn(2) gives a distorted square pyramidal ZnO3N2 geometry. The spectroscopic characterization and thermal stability properties of the complex were investigated.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Oil Recovery from Water under Environmentally Relevant Conditions Using Magnetic Nanoparticles

Authors: Mirshahghassemi, S; Lead, JR (2015) HERO ID: 3044648

[Less] Large oil spills and oily wastewater discharges from ships and industrial activities can have serious . . . [More] Large oil spills and oily wastewater discharges from ships and industrial activities can have serious impacts on the environment with potentially major economic impacts. Current oil remediation techniques are inefficient and may have deleterious environmental consequences. However, nanotechnology offers a new route to potentially remediate oil pollution. In this study, a cheap and facile hydrothermal method was developed to synthesize polyvinylpyrrolidone-coated magnetite nanoparticles to separate a reference MC252 oil from oil-water mixture under environmentally relevant conditions. Fluorescence and Proton nuclear magnetic resonance spectroscopy results showed near 100% oil removal from oil-water mixture in the ultrapure water under optimum condition. Based on gas chromatography-mass spectrometry data, approximately 100% of lower molecular mass alkanes (C9-C21) were removed within 10 min of magnetic separation and by increasing the separation time to 40 min, greater than 67% of C22-25 alkanes were removed. Moreover, nanoparticles removed near 100% oil from synthetic seawater solutions in the presence and absence of fulvic acid showing excellent oil removal capacity of the nanoparticles under different conditions. Results show that these nanoparticles can be utilized to remove oil over a short time with a high removal efficiency under environmentally relevant conditions.