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At least 703 records · Page 39

Dehalogenation of Chlorinated Ethenes to Ethene by a Novel Isolate, “ Candidatus Dehalogenimonas etheniformans”

Dehalococcoides mccartyi strains harboring vinyl chloride (VC) reductive dehalogenase (RDase) genes are keystone bacteria for VC detoxification in groundwater aquifers, and bioremediation monitoring regimens focus on D. mccartyi biomarkers. We isolated a novel anaerobic bacterium, “Candidatus Dehalogenimonas etheniformans” strain GP, capable of respiratory dechlorination of VC to ethene. This bacterium couples formate and hydrogen (H2) oxidation to the reduction of trichloro-ethene (TCE), all dichloroethene (DCE) isomers, and VC with acetate as the carbon source. Cultures that received formate and H2 consumed the two electron donors concomitantly at similar rates. A 16S rRNA gene-targeted quantitative PCR (qPCR) assay measured growth yields of (1.2 ± 0.2) × 10 8 and (1.9 ± 0.2) × 10 8 cells per μmol of VC dechlorinated in cultures with H 2 or formate as electron donor, respectively. About 1.5-fold higher cell numbers were measured with qPCR targeting cerA, a single-copy gene encoding a putative VC RDase. A VC dechlorination rate of 215 ± 40 μmol L -1 day -1 was measured at 30°C, with about 25% of this activity occurring at 15°C. Increasing NaCl concentrations progressively impacted VC dechlorination rates, and dechlorination ceased at 15 g NaCl L -1 . During growth with TCE, all DCE isomers were intermediates. Tetrachloroethene was not dechlorinated and inhibited dechlorination of other chlorinated ethenes. Carbon monoxide formed and accumulated as a metabolic by-product in dechlorinating cultures and impacted reductive dechlorination activity. Finally, the isolation of a new Dehalogenimonas species able to effectively dechlorinate toxic chlorinated ethenes to benign ethene expands our understanding of the reductive dechlorination process, with implications for bioremediation and environmental monitoring.

59 BASIC BIOLOGICAL SCIENCES↗

False-Negative Rate and Recovery Efficiency Performance of a Validated Sponge Wipe Sampling Method

Recovery of spores from environmental surfaces varies due to sampling and analysis methods, spore size and characteristics, surface materials, and environmental conditions. Tests were performed to evaluate a new, validated sponge wipe method using Bacillus atrophaeus spores. Testing evaluated the effects of spore concentration and surface material on recovery efficiency (RE), false-negative rate (FNR), limit of detection (LOD), and their uncertainties. Ceramic tile and stainless steel had the highest mean RE values (48.9 and 48.1%, respectively). Faux leather, vinyl tile, and painted wood had mean RE values of 30.3, 25.6, and 25.5, respectively, while plastic had the lowest mean RE (9.8%). Results show roughly linear dependences of RE and FNR on surface roughness, with smoother surfaces resulting in higher mean REs and lower FNRs. REs were not influenced by the low spore concentrations tested (3.10x10^-3 to 1.86 CFU/cm^2). Stainless steel had the lowest mean FNR (0.123), and plastic had the highest mean FNR (0.479). The LOD90 (>1 CFU detected 90% of the time) varied with surface material, from 0.015 CFU/cm^2 on stainless steel up to 0.039 on plastic. It may be possible to improve sampling results by considering surface roughness in selecting sampling locations and interpreting spore recovery data. Further, FNR values (calculated as a function of concentration and surface material) can be used presampling to calculate the numbers of samples for statistical sampling plans with desired performance and postsampling to calculate the confidence in characterization and clearance decisions.

Anthrax↗

Substituent effect on napthodithiophene-fused porphyrins: Understanding the unusual trend of fluorescence quantum yield quenching

A series of π-extended porphyrins containing thiophene units was prepared to investigate an unusual trend observed in the fluorescence quantum yield of naphtho[2,1-b:3,4-b']dithiophene-fused porphyrins. Monobenzoporphyrins carrying 2-thiophenyl (vinyl thiophene porphyrin) groups (2VTP, 2VTBr and Br2VTP) (numbering 2 and 3 refers to the position of sulfur on the thiophene ring) were synthesized through a Heck-based cascade reaction followed by a newly developed bromination method. These were converted to naphtho[2,1-b:3,4-b']dithiophene-fused porphyrin derivatives (FBr2VTP and F2VTBr) via ring closure with an intramolecular Scholl reaction. Increasingly larger Stokes shifts with a higher number of bromo groups were observed in the unfused π-extended molecular systems, reflecting the heavy atom effect. Fluorescence spectroscopy further confirmed the unusual trend seen in the previous work: structural rigidification in naphtho[2,1-b:3,4-b']dithiophene-fused porphyrins leads to longer fluorescence lifetimes but unexpectedly lowers the quantum yield. Adding one bromo group to the naphtho[2,1-b:3,4-b']dithiophene unit does not change this trend. Furthermore, the presence of two bromo groups prevents the quantum yield from dropping. DFT, TDDFT, and NICS analyses suggest a drastic change in aromaticity in the pyrrole ring where the naphtho[2,1-b:3,4-b']dithiophene is fused in FBr2VTP, which might contribute to the quantum yield reductions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Membrane Considerations for the All-Iron Hybrid Flow Battery

The all-iron flow battery is currently being developed for grid scale energy storage. As with all flow batteries, the membrane in these systems must meet stringent demands for ionic conductivity while limiting unwanted reactant (Fe 3+ ) crossover. In addition, for the all-iron chemistry proton transport across the membrane is highly desirable to maintain the pH levels in the negative and positive electrolytes. Two membranes are considered, Nafion and an in-house developed composite based on Daramic (a commercial microporous separator) and poly(vinyl alcohol). Their performance is compared for various metrics specific to the all-iron flow battery chemistry.

25 ENERGY STORAGE↗

Preparation, Physical-Chemical Characterization, and Cytocompatibility of Polymeric Calcium Phosphate Cements

Aim. Physicochemical mechanical and in vitro biological properties of novel formulations of polymeric calcium phosphate cements (CPCs) were investigated. Methods. Monocalcium phosphate, calcium oxide, and synthetic hydroxyapatite were combined with either modified polyacrylic acid, light activated polyalkenoic acid, or polymethyl vinyl ether maleic acid to obtain Types I, II, and III CPCs. Setting time, compressive and diametral strength of CPCs was compared with zinc polycarboxylate cement (control). Specimens were characterized using X-ray diffraction, scanning electron microscopy, and infrared spectroscopy. In vitro cytotoxicity of CPCs and control was assessed. Results. X-ray diffraction analysis showed hydroxyapatite, monetite, and brushite. Acid-base reaction was confirmed by the appearance of stretching peaks in IR spectra of set cements. SEM revealed rod-like crystals and platy crystals. Setting time of cements was 5–12 min. Type III showed significantly higher strength values compared to control. Type III yielded high biocompatibility. Conclusions. Type III CPCs show promise for dental applications.

60 APPLIED LIFE SCIENCES↗

daft [SWR-17-53]

Daft is a Haskell library that implements the key constructs of relational algebra via static structural typing. Its DataCube typeclass supports selection, projection, aggregation, disaggregation, natural joins, semijoins, and antijoins. Instances of DataCube include both map- and function-based representations. An additional abstract data type provides Vinyl-style, keyed relational tables for which an embedded domain-specific language compactly represents relational operations. Utility types and functions support serialization to tab-separated-value data files, JSON arrays, MongoDB documents, and PostgreSQL tables, including automatic detection and verification of the schema for the input data.

Bush, BrianW.↗

The Effect of Flocculent, Dispersants, and Binder on Wet-laid Process for Recycled Glass Fiber/PA6 Composite

The papermaking industry has been using the wet-laid process to suspend paper pulp-derived fibers in water and drain the solution through a forming mesh. This process has recently been adopted to produce non-woven, wet-laid fiber-reinforced polymer matrix composite mats. The mats can be postmolded into different complex shapes using compression molding or related processes. The objective of this study was to produce composite panels from wet-laid mats and observe the effect of chemicals used during the process on the mechanical and thermal characteristics of the resulting composite. Two sets of mats were processed using recycled glass fiber with Polyamide 6 (PA6). Flocculent, dispersant and binder (poly(vinyl alcohol) (PVOH)) were added to one of the mats, and the second mat was processed without these chemicals. The addition of these chemicals enhanced the fiber distribution and reduced processing defects in the mats. This was reflected in the mechanical properties of the final product. It was noticed that the flocculent, dispersant and binder volatilized during the compression molding step. Furthermore, the additives were found not to affect the thermal properties of the consolidated part.

36 MATERIALS SCIENCE↗

The Effect of Carbon–Carbon Double Bonds on the Combustion Chemistry of Small Fatty Acid Esters

Environmentally friendly biodiesel is a mixture of saturated and unsaturated methyl (or ethyl) esters of long-chain fatty acids. To experimentally examine the effect of C=C double bonds on the combustion chemistry of fatty acid esters, low-pressure premixed laminar flames of four small esters have been studied using flame-sampling molecular-beam mass spectrometry. Mole fraction profiles of reactants, products, and well-identified stable and reactive combustion intermediates in flames of the saturated species methyl propanoate (CH3CH3COOCH3) and its isomer ethyl acetate (CH3COOCH2CH3) have been compared with results from flames of the unsaturated fuels methyl propenoate (CH2CHCOOCH3) and vinyl acetate (CH3COOCHCH2) flames. A total of eight flames have been studied, with two fuel-rich flame conditions investigated (fuel-equivalence ratios phi = 1.2 and 1.56) for each fuel. In addition, the underlying oxidation chemistry at these premixed flame conditions has been investigated using a detailed chemical kinetic reaction mechanism, which is largely based on a previously proposed model for saturated esters [B. Yang et al., Phys. Chem. Chem. Phys. 13 (2011) 7205]. The combined results provide a detailed understanding of the similarities and differences between the combustion of saturated vs. unsaturated esters. Meanwhile, the isomeric and stoichiometric effects on their combustion chemistry are also addressed. In this paper, experimental and modeling details are discussed with a special focus on the different reaction pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the 3D printing of polypropylene and post-processing optimization of thermomechanical properties

Polypropylene (PP) is a highly desirable polyolefin in various plastic industries due to its outstanding thermomechanical properties and chemical resistance. Therefore, the 3D printing of PP is an interesting avenue to explore in digitized manufacturing, where more freedom in structural designs is available for new and extended applications, such as high-performance engineering parts. Here, in this work, we 3D printed PP and studied the effect of printing parameters and post-processing conditions on the printed polymer’s thermomechanical behavior. Results showed that nozzle and bed temperatures of 220 and 100°C produced a high printing quality. Infill percentages between 80 and 90%, coupled with a 4-h annealing at 110ºC, also resulted in optimal printed properties. It is thought that PP can be potentially blended with polyethylene or other vinyl polymers for a more extended 3D printing utility and practical applications in rapid tooling and prototyping.

36 MATERIALS SCIENCE↗

Digital Light Processing (DLP): 3D printing of polymer-based graphene oxide nanocomposites—Efficient antimicrobial material for biomedical devices

Bacterial infections are one of the major causes of surgical implant inefficiency and failure. Herein, we present a Nanocomposite (NC) produced by the addition of Poly(N-vinyl carbazole)-Graphene Oxide dispersion (PVK-GO) as a nanofiller to a commercial photopolymer acrylate resin and 3D printed as coatings via the Digital Light Processing technique. Characterization and bioassay results against Escherichia coli and Staphylococcus aureus confirmed the elevated thermomechanical properties and efficient antibacterial activity of the printed NC-based coatings. In conclusion, the present study demonstrates the fabrication and optimization of a PVK-GO-based NC and its potential utilization as a 3D-printable material for biomedical applications.

2D materials↗

In-situ polymerized and crosslinked electrolytes with interchangeable Li/Na transport for battery applications

The next generation of batteries requires electrolytes with high conductivity, mechanical stability, good adhesion with electrodes, wide electrochemical windows, and scalability. The present study introduces a concept of doped quasi single-ion conducting copolymers based on methacrylate-(trifluoromethanesulfonyl)imide (TFSI) and vinyl ethylene carbonate which at room temperature are mechanically robust and display ionic conductivities of ~0.1 mS/cm. These electrolytes can be polymerized/crosslinked in-situ, making them easily implementable in current battery manufacturing technologies. They also allow for switching between Li + and Na + transport using simple chemistry procedures. To demonstrate their potential for battery applications, the newly developed Li conductors have been tested in symmetric cells, exhibiting overall impedance below 350 Ohm and plating/stripping stability up to 1 mA/cm 2 . Moreover, lithium metal batteries incorporating this electrolyte and high-voltage Lithium Nickel Manganese Cobalt Oxide (NMC) cathodes show good capacity retention (~79%) during charging and discharging for 80 cycles at C/10 rate and a Coulombic efficiency close to 100% in the entire measurement range. The compositional, mechanical and electrochemical versatility of these electrolytes opens new venues for the design of polymer-based batteries capable of fast charging and extended cycle life, aligning with the current global green energy storage strategies.

Polymer electrolytes↗

Use of Melt Flow Rate Test in Reliability Study of Thermoplastic Encapsulation Materials in Photovoltaic Modules

Use of thermoplastic materials as encapsulants in photovoltaic (PV) modules presents a potential concern in terms of high temperature creep, which should be evaluated before thermoplastics are qualified for use in the field. Historically, the issue of creep has been avoided by using thermosetting polymers as encapsulants, such as crosslinked ethylene-co-vinyl acetate (EVA). Because they lackcrosslinked networks, however, thermoplastics may be subject to phase transitions and visco-elastic flow at the temperatures and mechanical stresses encountered by modules in the field, creating the potential for a number of reliability and safety issues. Thermoplastic materials investigated in this study include PV-grade uncured-EVA (without curing agents and therefore not crosslinked);polyvinyl butyral (PVB); thermoplastic polyurethane (TPU); and three polyolefins (PO), which have been proposed for use as PV encapsulation. Two approaches were used to evaluate the performance of these materials as encapsulants: module-level testing and a material-level testing.

14 SOLAR ENERGY↗

Solid Silicone Elastomer Material(DC745U)-Historical Overview and New Experimental Results [Slides]

DC745U is a silicone elastomer used in several weapon systems. DC745U is manufactured by Dow Corning and its formulation is proprietary. Risk changes without notification to the customer. 1 H and 29 Si{ 1 H} NMR have previously determined that DC745U contains ~98.5% dimethyl siloxane, ~1.5% methyl-phenyl siloxane, and a small amount (<1%) of vinyl siloxane repeat units that are converted to crosslinking sites.

36 MATERIALS SCIENCE↗

Side-by-Side Field Evaluation of Highly Insulating Windows in the PNNL Lab Homes

To examine the energy, air leakage, and thermal performance of highly insulating windows, a field evaluation was undertaken in a matched pair of all-electric, factory-built “Lab Homes” located on the Pacific Northwest National Laboratory (PNNL) campus in Richland, Washington. The “baseline” Lab Home B was retrofitted with “standard” double-pane clear aluminum-frame slider windows and patio doors, while the “experimental” Lab Home A was retrofitted with Jeld-Wen® triple-pane vinyl-frame slider windows and patio doors with a U-factor of 0.2 and solar heat gain coefficient of 0.19. To assess the window, the building shell air leakage, energy use, and interior temperatures of each home were compared during the 2012 winter heating and summer cooling seasons. The measured energy savings in Lab Home B averaged 5,821 watt-hours per day (Wh/day) during the heating season and 6,518 Wh/day during the cooling season. The overall whole-house energy savings of Lab Home B compared to Lab Home A are 11.6% ± 1.53% for the heating season and 18.4 ± 2.06% for the cooling season for identical occupancy conditions with no window coverings deployed. Extrapolating these energy savings numbers based on typical average heating degree days and cooling degree days per year yields an estimated annual energy savings of 12.2%, or 1,784 kWh/yr. The data suggest that highly insulating windows are an effective energy-saving measure that should be considered for high-performance new homes and in existing retrofits. However, the cost effectiveness of the measure, as determined by the simple payback period, suggests that highly insulating window costs continue to make windows difficult to justify on a cost basis alone. Additional reductions in costs via improvements in manufacturing and/or market penetration that continue to drive down costs will make highly insulating windows much more viable as a cost-effective energy efficiency measure. This study also illustrates that highly insulating windows have important impacts on peak load, occupant comfort, and condensation potential, which are not captured in the energy savings calculation. More consistent and uniform interior temperature distributions suggest that highly insulated windows, as part of a high performance building envelope, may enable more centralized duct design and downsized HVAC systems. Shorter, more centralized duct systems and smaller HVAC systems to yield additional cost savings, making highly insulating windows more cost effective as part of a package of new construction or retrofit measures which achieve significant reductions in home energy use.

PNNL Lab Homes↗

Greenbelt Homes Pilot Energy Efficiency Program Phase 1 Summary: Existing Conditions and Baseline Energy Use

A multiyear pilot energy efficiency retrofit project has been undertaken by Greenbelt Homes, Inc, (GHI) a 1,566 co-operative of circa 1930 and 1940 homes in Greenbelt, Maryland. The three predominant construction methods of the townhomes in the community are materials common to the area and climate zone including 8 in. concrete masonry unit (CMU) block, wood frame with brick veneer and wood frame with vinyl siding. GHI has established a pilot project that will serve as a basis for decision making for the rollout of a decade-long community upgrade program that will incorporate energy efficiency upgrades to the building envelope from the exterior and equipment with the modernization of other systems like plumbing, mechanical equipment, and cladding.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Hygric Redistribution in Insulated Assemblies: Retrofitting Residential Envelopes Without Creating Moisture Issues

This research report was prepared by the Building Science Corporation Building America Research Team as part of the Energy Efficient Housing Research Partnerships project. The project title is Hygric Redistribution in Insulated Assemblies. The exterior retrofit of frame assemblies can be risky when impermeable insulating sheathings of relatively low thermal resistance are used. For example, basic hygrothermal analysis demonstrates that removing the existing cladding and installing a board foam insulation with low vapor permeance (such as ½-in. foil faced rigid insulation) directly over the sheathing membrane under a replacement cladding (such as vinyl siding) is likely to cause moisture problems in cold climates. One such problem is known as a “cold sided vapor barrier.” Tens of thousands of such retrofit and renovation projects have been completed, however, without apparent problems. There is also a perception that when water is intentionally drained in a drainage cavity between exterior insulation and the existing structure following an energy retrofit, moisture-related durability concerns exist for the sheathing and wood structure. This experimental program includes a literature review of previous research, laboratory testing programs, and an analysis of full-scale test wall performance in the U.S. Department of Energy’s climate zone 4C.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Low Temperature Studies on DC745U Pressure Pads

DC745U is a silica-filled solid silicone elastomer used to manufacture pressure pads for a variety of applications. The material is proprietary to Dow Corning and thus very little information on its composition and properties is available. A considerable amount of characterization work has been conducted (Denisse Ortiz-Acosta W-1-TR-0098U/ LA-UR-12-23612) on DC745U. Based on these studies an estimate of the composition of the polymer was obtained. DC745U is composed of ≤ 100 wt% dimethyl siloxane repeat units, ≤1.5 wt% of methylphenyl siloxane, and ≤ 1 wt% methylvinyl siloxane groups. The methylvinyl siloxane groups are used as crosslink sites. The polymer is cured using a vinyl-specific peroxide, Varox DBPH-50, at 160ºC to form a polymer network. The structure and composition of this polymer network provide DC745U its unique properties. The methylphenyl siloxane repeat unit was added to improve DC745U’s thermal properties when compared to polydimethylsiloxane (PDMS). PDMS has a glass transition temperature of -120ºC and a melting temperature of -40ºC. It is believed that the phenyl group in DC745U improves thermal properties by inhibiting crystallization. This report describes the results obtained from low temperature thermal, mechanical and molecular characterization. These studies were conducted to improve our understanding of low temperature crystallization kinetics and thermal kinetics under compression strain and to determine if the pad undergoes stress deformations under these extreme conditions. Results described herein address several knowledge gaps previously stated in the report W-1-TR-0098U. Experiments described here include Differential Scanning Calorimetry (DSC), Dynamic Mechanical Analysis (DMA), Nuclear Magnetic Resonance (NMR), and mechanical (stress/strain) tests.

36 MATERIALS SCIENCE↗

Fort Devens: Cold Climate Market-Rate Townhomes Targeting HERS Index of 40, Harvard, Massachusetts (Fact Sheet)

Achieving aggressive energy efficiency targets requires tight coordination and clear communication among owners, designers, builders, and subcontractors. For this townhome project, MassDevelopment, the quasi-governmental agency owner, selected Metric Development of Boston, teaming with the U.S. Department of Energy (DOE) Consortium for Advanced Residential Buildings (CARB) and Cambridge Seven Architects, to build very high performing market-rate homes. Fort Devens is part of a decommissioned army base in working-class Harvard, Massachusetts, approximately one hour northwest of Boston. The team proposed 12 net zero energy-ready townhomes, meaning that the application of renewable energy systems would result in annual net zero energy use in the homes. The homes were also designed to achieve a Home Energy Rating System (HERS) Index Score of 41 before adding renewables. For this project, CARB drew on its experience working with Rural Development Inc. on a series of affordable townhomes in northern Massachusetts. The team carefully planned the site to maximize solar access, daylighting, and efficient building forms. The basic strategy was to design a very efficient thermal enclosure while minimizing incremental cost increases compared with standard construction. Using BEopt modeling software, the team established the requirements of the enclosure and investigated multiple assembly options. They settled on double-wall construction with dense-pack cellulose fill. High performance vinyl windows (U-0.24, solar heat gain coefficient [SHGC]-0.22), a vented R-59 attic, and exceptional air sealing completed the package.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗