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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Paths to circularity for plastics in the United States

In 2019, the United States consumed over 57 million metric tons (MMT) of plastic with less than 7% recovered for reuse. This study provides an updated material flow analysis at national and regional scales for all durable and single-use plastics in the United States. From this material flow analysis, we develop a series of alternative future national plastic flow scenarios that envision a scale-up of recycling technologies, incorporating technical limitations and sorting infrastructure constraints. The results suggest that a maximum of 68% (24 MMT) of plastic waste could be diverted from landfills by scaling up existing commercial recycling technologies. Based on the current technological landscape, reaching near-zero waste is only possible if processes that are operating at pilot and laboratory scales can be effectively scaled and coupled with improved sorting infrastructure. Through these scenarios with increased recycling, the availability of postconsumer resin stocks could increase by 22–43 MMT.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Packaging waste recycling in Europe: Is the industry paying for it?

Highlights: • We study the recycling schemes of France, Germany, Portugal, Romania and the UK. • The costs and benefits of recycling are compared for France, Portugal and Romania. • The balance of costs and benefits depend on the perspective (strictly financial/economic). • Financial supports to local authorities ought to promote cost-efficiency. - Abstract: This paper describes and examines the schemes established in five EU countries for the recycling of packaging waste. The changes in packaging waste management were mainly implemented since the Directive 94/62/EC on packaging and packaging waste entered into force. The analysis of the five systems allowed the authors to identify very different approaches to cope with the same problem: meet the recovery and recycling targets imposed by EU law. Packaging waste is a responsibility of the industry. However, local governments are generally in charge of waste management, particularly in countries with Green Dot schemes or similar extended producer responsibility systems. This leads to the need of establishing a system of financial transfers between the industry and the local governments (particularly regarding the extra costs involved with selective collection and sorting). Using the same methodological approach, the authors also compare the costs and benefits of recycling from the perspective of local public authorities for France, Portugal and Romania. Since the purpose of the current paper is to take note of who is paying for the incremental costs of recycling and whether the industry (i.e. the consumer) is paying for the net financial costs of packaging waste management, environmental impacts are not included in the analysis. The work carried out in this paper highlights some aspects that are prone to be improved and raises several questions that will require further research. In the three countries analyzed more closely in this paper the industry is not paying the net financial cost of packaging waste management. In fact, if the savings attained by diverting packaging waste from other treatment (e.g. landfilling) and the public subsidies to the investment on the “recycling system” are not considered, it seems that the industry should increase the financial support to local authorities (by 125% in France, 50% in Portugal and 170% in Romania). However, in France and Portugal the industry is paying local authorities more than just the incremental costs of recycling (full costs of selective collection and sorting minus the avoided costs). To provide a more definitive judgment on the fairness of the systems it will be necessary to assess the cost efficiency of waste management operators (and judge whether operators are claiming costs or eliciting “prices”)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Evaluation of performance indicators applied to a material recovery facility fed by mixed packaging waste

Highlights: • Material Flows assessment of a Material Recovery Facility has been realized. • Performance Indicators for a generic MRF have been proposed. • A Dashboard has been utilized to measure the facility performance. • Experimental values of incoming waste and output products composition are reported. - Abstract: Most of the integrated systems for municipal solid waste management aim to increase the recycling of secondary materials by means of physical processes including sorting, shredding and reprocessing. Several restrictions prevent from reaching a very high material recycling efficiency: the variability of the composition of new-marketed materials used for packaging production and its shape and complexity are critical issues. The packaging goods are in fact made of different materials (aluminium, polymers, paper, etc.), possibly assembled, having different shape (flat, cylindrical, one-dimensional, etc.), density, colours, optical properties and so on. These aspects limit the effectiveness and efficiency of the sorting and reprocessing plants. The scope of this study was to evaluate the performance of a large scale Material Recovery Facility (MRF) by utilizing data collected during a long period of monitoring. The database resulted from the measured data has been organized in four sections: (1) data related to the amount and type of inlet waste; (2) amount and composition of output products and waste; (3) operating data (such as worked hours for shift, planned and unscheduled maintenance time, setting parameters of the equipment, and energy consumption for shift); (4) economic data (value of each product, disposal price for the produced waste, penalty for non-compliance of products and waste, etc.). A part of this database has been utilized to build an executive dashboard composed by a set of performance indicators suitable to measure the effectiveness and the efficiency of the MRF operations. The dashboard revealed itself as a powerful tool to support managers and engineers in their decisions in respect to the market demand or compliance regulation variation as well as in the designing of the lay-out improvements. The results indicated that the 40% of the input waste was recovered as valuable products and that a large part of these (88%) complied with the standards of the recycling companies. The evaluation of the indicators led to the decision to modify the layout to improve the interception of some polymers for which the performance indicators were poor. In particular, two additional optical sorters have to be inserted to increase the yield indicator and to the overall performance of the facility. Definitely, the results of the work allowed to: increase the yield and purity of products’ flows; ensure the compliance of waste flows; increase the workability.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Chemical recycling of post-consumer polyester wastes using a tertiary amine organocatalyst

Recycling diverse waste plastics poses challenges due to complex sorting and processing, resulting in high costs and inefficiency. To tackle this, we present a metal-free catalytic sorting method for targeted deconstruction of polyester from post-consumer plastic waste, encompassing textiles, plastic mixtures, and multilayer packaging materials. This method employs N-methylpiperidine, a tertiary amine catalyst in methanol, to depolymerize polyethylene terephthalate (PET). Operating under these conditions (160°C, 1 h), we achieve 100% yields of dimethyl terephthalate and ethylene glycol. This technique also effectively breaks down other polyesters, including polylactic acid, polycarbonate, and polybutylene terephthalate, yielding high-yield monomers at relatively low temperatures. Through comprehensive nuclear magnetic resonance (NMR) analysis, we propose that N-methylpiperidine’s role is in enhancing methanol nucleophilicity and activating PET’s ester bond. Our insights advance the chemical recycling of post-consumer plastic waste, offering a potentially simple and efficient path to closing the polyester production loop.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Protein kinase C mediated internalization of ErbB2 is independent of clathrin, ubiquitination and Hsp90 dissociation

Highlights: • PKC activation induces internalization but not degradation of ErbB2. • PKC-induced internalization of ErbB2 is independent of Hsp90 dissociation. • PKC-induced internalization of ErbB2 is independent of ErbB2 ubiquitination. • PKC-induced internalization of ErbB2 is clathrin independent. Overexpression of ErbB2 is frequent in cancer and understanding the mechanisms which regulate its expression is important. ErbB2 is considered endocytosis resistant. It has no identified ligand, but upon heterodimerization it is a potent mediator of proliferative signaling. A recent study established a role for protein kinase C (PKC) in internalization and recycling of ErbB2. We have now further investigated the molecular mechanisms involved in PKC-mediated downregulation of ErbB2. We confirm that PMA-induced PKC activation causes ErbB2 internalization, but while the Hsp90 inhibitor 17-AAG induced ErbB2 degradation, PMA had no such effect. When combined with 17-AAG, PMA had additive effect on ErbB2 internalization indicating that Hsp90 inhibition and PKC activation induce internalization by alternative mechanisms. We confirm that while 17-AAG-induced internalization was clathrin-mediated, PMA-induced internalization was clathrin independent. This difference may be explained by while both 17-AAG and PMA reduced the constitutive tyrosine phosphorylation of ErbB2, only 17-AAG induced Hsp90 dissociation, Hsp70 recruitment and ubiquitination of ErbB2. Importantly, since PMA induced internalization of ErbB2, but not dissociation of Hsp90, Hsp90 does not per se retain ErbB2 at the plasma membrane. The morphology of the compartment into which receptors are sorted upon PKC activation has not previously been identified. By immuno-electron microscopy, we show that PMA sorts ErbB2 into a complex tubulovesicular or cisternal organelle resembling a previously described endocytic recycling compartment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

How we compute N matters to estimates of mixing in stratified flows

We know that most commonly used models for turbulent mixing in the ocean rely on a background stratification against which turbulence must work to stir the fluid. While this background stratification is typically well defined in idealized numerical models, it is more difficult to capture in observations. Here, a potential discrepancy in ocean mixing estimates due to the chosen calculation of the background stratification is explored using direct numerical simulation data of breaking internal waves on slopes. There are two different methods for computing the buoyancy frequency $N$ , one based on a three-dimensionally sorted density field (often used in numerical models) and the other based on locally sorted vertical density profiles (often used in the field), are used to quantify the effect of $N$ on turbulence quantities. It is shown that how $N$ is calculated changes not only the flux Richardson number $R_{f}$ , which is often used to parameterize turbulent mixing, but also the turbulence activity number or the Gibson number $Gi$ , leading to potential errors in estimates of the mixing efficiency using $Gi$ -based parameterizations.

42 ENGINEERING↗
DOE OSTI2020

Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method

Recent advances in selected configuration interaction methods have made them competitive with the most accurate techniques available and, hence, creating an increasingly powerful tool for solving quantum Hamiltonians. In this work, we build on recent advances from the adaptive sampling configuration interaction (ASCI) algorithm. We show that a useful paradigm for generating efficient selected CI/exact diagonalization algorithms is driven by fast sorting algorithms, much in the same way iterative diagonalization is based on the paradigm of matrix vector multiplication. We present several new algorithms for all parts of performing a selected CI, which includes new ASCI search, dynamic bit masking, fast orbital rotations, fast diagonal matrix elements, and residue arrays. The ASCI search algorithm can be used in several different modes, which includes an integral driven search and a coefficient driven search. The algorithms presented here are fast and scalable, and we find that because they are built on fast sorting algorithms they are more efficient than all other approaches we considered. After introducing these techniques, we present ASCI results applied to a large range of systems and basis sets to demonstrate the types of simulations that can be practically treated at the full-CI level with modern methods and hardware, presenting double- and triple-ζ benchmark data for the G1 data set. The largest of these calculations is Si$_2$H$_6$ which is a simulation of 34 electrons in 152 orbitals. We also present some preliminary results for fast deterministic perturbation theory simulations that use hash functions to maintain high efficiency for treating large basis sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Click-Chemistry-Based Free Azide versus Azido Sugar Detection Enables Rapid In Vivo Screening of Glycosynthase Activity

Engineering of carbohydrate-active enzymes such as glycosynthases to enable chemoenzymatic synthesis of bespoke oligosaccharides has been limited by the lack of suitable ultrahigh-throughput screening methods capable of robustly detecting either starting substrates or end-products of the glycosidic bond formation reaction. Currently, there are limited screening methods available for rapid and highly sensitive single-cell-based screening of glycosynthase enzymes employing azido sugars as activated donor glycosyl substrates. Here, we report a fluorescence-based approach employing click-chemistry for the selective detection of glycosyl azides as substrates versus free inorganic azides as reaction products that facilitated an ultrahigh-throughput in vivo single-cell-based assay of glycosynthase activity. This assay was developed based on the distinct differences observed in relative fluorescence intensity of the triazole-containing fluorophore product formed during the click-chemistry reaction of organic glycosyl azides versus inorganic azides. This discovery formed the basis for proof of concept validation of a directed evolution methodology for screening and sorting glycosynthase mutants capable of synthesis of targeted fucosylated oligosaccharides. Our screening approach facilitated fluorescence-activated cell sorting of an error-prone polymerase chain reaction-based mutant library of fucosynthases expressed in Escherichia coli to identify several novel mutants that showed increased activity for ß-fucosyl azide-activated donor sugars toward desired acceptor sugars (e.g., pNP-xylose and lactose). Finally, we discuss avenues for improving this proof of concept in vivo assay method to identify better glycosynthase mutants and further demonstrate the broader applicability of this screening methodology for synthesis of bespoke glycans.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles

Solid-state superstructures, resulting from assemblies programmed by homochirality, are attracting considerable attention. In addition, artificial double-helical architectures are being investigated, especially in relation to the ways in which homochiral small molecules can be induced to yield helical forms as a result of chiral induction. In this work, we report the highly specific self-assembly upon crystallization of a double-helical superstructure from an enantiopure macrocyclic dimer which adopts two diastereoisomeric conformations in a molar ratio of 1.5:1 in dimethyl sulfoxide. These two conformational diastereoisomers self-organize—and self-sort—in the crystalline phase in equimolar proportions to form two single-handed helices which are complementary to each other, giving rise to the assembly of a double helix that is stabilized by intermolecular [C–H···O] and π–π stacking interactions. The observed self-sorting phenomenon occurs on going from a mixed-solvent system containing two equilibrating conformational diastereoisomers, presumably present in unequal molar proportions, into the solid state. The diastereoisomeric conformations are captured upon crystallization in a 1:1 molar ratio in the double-helical superstructure, whose handedness is dictated by the choice of the enantiomeric macrocyclic dimer. The interconversion of the two conformational diastereoisomers derived from each configurationally enantiomeric macrocycle was investigated in CD 3 SOCD 3 solution by variable-temperature 1 H NMR spectroscopy (VT NMR) and circular dichroism (VT CD). The merging of the resonances for the protons corresponding to the two diastereoisomers at a range of coalescence temperatures in the VT NMR spectra and occurrence of the isosbestic points in the VT CD spectra indicate that the two diastereoisomers are interconverting slowly in solution on the 1 H NMR time scale but rapidly on the laboratory time scale. To the best of our knowledge, the self-assembly of such solid-state superstructures from two conformational diastereoisomers of a homochiral macrocycle is a rare, if not unique, occurrence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

L -Value and Energy Dependence of 0.1–50 keV O + , He + , and H + Ions for CME and CIR Storms Over the Entire Van Allen Probes Era

Our studies report the first observation of L -value and energy sorted correlation of differential fluxes of 0.1–50 keV O + , He + , and H + ions with different geophysical parameters for 29 Coronal Mass Ejected (CME) and 40 Corotating Interaction Region (CIR)-driven geomagnetic storms during the entire Van Allen Probes era. For both solar wind drivers, ions with ≥1 keV energies show more variability in response to the solar wind changes, while the lower energy (<1 keV) ions are relatively stable. During the in-storm interval, O + ions show maximum flux enhancement and become further prominent during CME storms. O + ion (≥10 keV) fluxes show good correlation with – $V_{sw}B_z$, and Sym-H index during CME-driven storms in the L ~2.5–5.5. Apart from this, the average duration of persistence ($\langleΔt\rangle$) for enhanced fluxes is higher for CIR-driven storms with $\langleΔt\rangle_{O^+}>\langleΔt\rangle_{He^+}>\langleΔt\rangle_{H^+}$ at E ≤ 50 keV in the L ~2.5–5.5. Moreover, the observed value of $\langleΔt\rangle_i$ (where $\textit{i}$ is O + , H + or He + ) increases with the increasing L . Further, we discuss the plausible mechanisms to provide a comprehensive overview of L -values and energy sorted O + , He + and H + ion dynamics for two different categories of solar wind drivers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. The ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems(1-10). But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries(6,11-17), a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling is nearly inevitable(11,12). Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state. Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold-the pressure needed to open the pores-can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping. These capabilities allow us to dynamically modulate gas-liquid sorting in a microfluidic flow and to separate a three-phase air-water-oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.

Hou, X↗
DOE OSTI2020

Transcriptomic and proteomic signatures of stemness and differentiation in the colon crypt

The intestinal epithelium is replaced weekly by non-quiescent stem cells with kinetics that rely on a rapid loss of stemness and choice for secretory or absorptive lineage differentiation. To determine how the cellular transcriptome and proteome changes during these transitions, we developed a new cell sorting method to purify stem cells, secretory and absorptive progenitor cells, and mature, differentiated cells. Transcriptome analyses revealed that as stem cells transition to the progenitor stage, alternative mRNA splicing and polyadenylation dominate changes in the transcriptome. In contrast, as progenitors differentiate into mature cell types, alterations in gene expression and mRNA levels drive the changes. RNA processing targets mRNAs encoding regulators of cell cycle, RNA regulators, cell adhesion, SUMOylation, and Wnt and Notch signaling. Additionally, global proteome profiling of sorted cell populations detected >2,800 proteins and revealed RNA:protein patterns of abundance and correlation. Paired together, these data highlight new potentials for autocrine and feedback regulation and provide new insights into cell state transitions in the crypt.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

The influence of curvature on domain distribution in binary mixture membranes

Curvature-induced domain sorting, a strategy exploited by cells to organize membrane components, is a promising mechanism to control self-assembly of materials. To comprehend this phenomenon, we explore the effects of curvature on component rearrangement in thin polymer films and lipid bilayers supported on sinusoidal substrates. Self-consistent field theory (SCFT), specifically, was used to study the spatial distribution of polymers in blends containing conformationally asymmetric chains. In addition, coarse-grained molecular dynamics (MD) simulations were used to probe the arrangement of rigid lipid domains in a relatively soft lipid matrix. Besides the expected preference of rigid species localizing in regions with low mean curvature, both systems exhibit unexpected localization of rigid components in comparatively high curvature regions. The origins of this unexpected sorting are discussed in terms of entropic and enthalpic contributions. In summary, this study demonstrates that domain distribution strongly depends on local topography and further highlights the collective effects that thermodynamic forces have on the morphological behavior of membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Economic evaluation of infrastructures for thermochemical upcycling of post-consumer plastic waste

Thermochemical technologies, such as pyrolysis, offer a potentially scalable pathway for upcycling diverse types of plastic waste (PW) into value-added chemicals. However, deploying these technologies in waste management infrastructures is not straightforward because such systems involve a wide range of interdependent stakeholders, processing facilities, and products. In this work, we present a holistic optimization framework that integrates value-chain analysis, techno-economic analysis, and life-cycle analysis for investigating the economic viability and environmental benefits of upcycling infrastructures that collect, sort, clean, and process post-consumer PW for producing virgin polymer resins. The framework is applied to a case study in the upper Midwest region of the US. Our analysis reveals that the infrastructures are economically viable and could activate a regional circular economy that generates over 1 billion USD in annual profit. Moreover, our analysis reveals that this economy can reduce the carbon footprint of PW incineration by half. Our framework also determines the inherent values of post-consumer PW and of derived products such as plastic bales and pyrolysis oil; we find that, in these infrastructures, PW becomes a highly valuable feedstock with a market value of 500 USD per tonne. Here, we discuss how this market value can generate incentives that foster more effective waste pre-sorting practices by consumers that can help bypass material recycling facilities and increase total system profit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Sedimentary deposits study of the 2006 Java tsunami, in Pangandaran, West Java (preliminary result)

The 2006 Java Earthquake (Mw 7.2) has generated a tsunami that reached Pangandaran coastal plain with 9.7 m above sea level height of wave. In 2014 we examined the tsunami deposit exposed in shallow trenches along a∼300 m at 5 transect from shoreline to inland on Karapyak and Madasari, Pangandaran. We documented stratigraphically and sedimentologically, the characteristics of Java Tsunami deposit on Karapyak and Madasari and compared both sediments. In local farmland a moderately-sorted, brown soil is buried by a poorly-sorted, grey, medium-grained sand-sheet. The tsunami deposit was distinguished from the underlying soil by a pronounced increase in grain size that becomes finner upwards and landwards. Decreasing concentration of coarse size particles with distance toward inland are in agreement with grain size analysis. The thickest tsunami deposit is about 25 cm found at 84 m from shoreline in Madasari and about 15 cm found at 80 m from shoreline in Karapyak. The thickness of tsunami deposits in some transect become thinner landward but in some other transect lack a consistent suggested strongly affected by local topography. Tsunami deposits at Karapyak and Madasari show many similarities. Both deposits consist of coarse sand that sharply overlies a finer sandy soil. The presence mud drapes and other sedimentary structure like graded bedding, massive beds, mud clasts in many locations shows a dynamics process of tsunami waves. The imbrication coarse and shell fragments of the 2006 Java, tsunami deposits also provide information about the curent direction, allowing us to distinguish run up deposits from backwash deposits.

58 GEOSCIENCES↗
DOE OSTI2015

Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism

The effects of membrane curvature on the free energy barrier for membrane fusion have been investigated using coarse-grained molecular dynamics (CG-MD) simulations, assuming that fusion takes place through a stalk intermediate. Free energy barriers were estimated for stalk formation as well as for fusion pore formation using the guiding potential method. Specifically, the three different geometries of two apposed membranes were considered: vesicle–vesicle, vesicle–planar, and planar–planar membranes. The free energy barriers for the resulting fusion were found to depend importantly on the fusing membrane geometries; the lowest barrier was obtained for vesicular membranes. Further, lipid sorting was observed in fusion of the mixed membranes of dimyristoyl phosphatidylcholine and dioleoyl phosphatidylethanolamine (DOPE). Specifically, DOPE molecules were found to assemble around the stalk to support the highly negative curved membrane surface. A consistent result for lipid sorting was observed when a simple continuum model (CM) was used, where the Helfrich energy and mixing entropy of the lipids were taken into account. However, the CM predicts a much higher free energy barrier than found using CG-MD. This discrepancy originates from the conformational changes of lipids, which were not considered in the CM. The results of the CG-MD simulations reveal that a large conformational change in the lipid takes place around the stalk region, which results in a reduction of free energy barriers along the stalk mechanism of membrane fusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Steady-state photoluminescent excitation characterization of semiconductor carrier recombination

Photoluminescence excitation spectroscopy is a contactless characterization technique that can provide valuable information about the surface and bulk recombination parameters of a semiconductor device, distinct from other sorts of photoluminescent measurements. For this technique, a temperature-tuned light emitting diode (LED) has several advantages over other light sources. The large radiation density offered by LEDs from near-infrared to ultraviolet region at a low cost enables efficient and fast photoluminescence measurements. A simple and inexpensive LED-based setup facilitates measurement of surface recombination velocity and bulk Shockley-Read-Hall lifetime, which are key parameters to assess device performance. Under the right conditions, this technique can also provide a contactless way to measure the external quantum efficiency of a solar cell.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗