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DOE OSTI2021

Sustainable Lactic Acid Production from Lignocellulosic Biomass

Lignocellulosic biomass is a promising feedstock for sustainable biofuels and bioproducts. Among emerging bioproducts, lactic acid has attracted significant interest because of its growing application in many industries (e.g., packaging, medical, and pharmaceutical). In this study, BioSTEAM—an open-source platform—was leveraged for the design, simulation, and evaluation (via techno-economic analysis, TEA, and life cycle assessment, LCA) of lignocellulosic lactic acid biorefineries. With a minimum product selling price (MPSP) between 1.38 and 1.91 kg –1 (5th–95th percentiles, baseline at 1.57 kg –1 ), the biorefinery was capable of producing market-competitive lactic acid (market price between 1.7 and 2.1 kg –1 ), and its performance could be further enhanced (e.g., MPSP down to 1.09 kg –1 , global warming potential of 2.79 kg CO 2 -eq·kg –1 , and fossil energy consumption of 31.7 MJ·kg –1 ) with advancements in key technological parameters (fermentation yield and separation process conversions) and optimization in process operation. Sensitivity analyses focused on the fermentation unit (across titer, yield, and productivity; neutral vs low-pH fermentation) and feedstock characteristics (carbohydrate content and price) were also included to quantify their impact on the sustainability of the biorefinery. Overall, this research highlights the ability of agile TEA/LCA to screen promising biorefinery designs, prioritize research needs, and establish a road map for the continued development of bioproducts and biofuels.

09 BIOMASS FUELS↗

DOE OSTI2025

Terrace‐Edge‐Induced Domain Nucleation in Room‐Temperature 2D Magnetic Van Der Waals Heterostructures

Abstract Terrace‐edges, which are step‐like height discontinuities formed during layer stacking or exfoliation, can locally modify magnetic characteristics. Magnetic domain behavior and its structural dependence in a 2D van der Waals (vdW) heterostructure composed of two distinct room‐temperature ferromagnets: Fe 3 GaTe 2 , an intrinsic vdW ferromagnet, and vanadium‐doped WSe 2 , a transition metal dichalcogenide exhibiting defect‐induced magnetism, is investigated. Using magnetic transmission X‐ray microscopy, the formation and annihilation of magnetic domains are directly observed and it is found that domains preferentially form at terrace‐edges of the heterostructure. Micromagnetic simulations reveal that in‐plane magnetization tilting near the terrace‐edge results in a localized maximum in total magnetic energy that promotes domain formation. The findings highlight the significant role of structural edge features and interfacial magnetic interactions in determining domain formation in hybrid 2D vdW magnetic systems, offering a new route to spatially controlled magnetization at room temperature.

Lee, Jieun↗

DOE OSTI2022

Identification of xylan arabinosyl 2- O -xylosyltransferases catalyzing the addition of 2- O -xylosyl residue onto arabinosyl side chains of xylan in grass species

Grass xylan, the major hemicellulose in both primary and secondary cell walls, is heavily decorated with α-1,3-linked arabinofuranosyl (Araf) residues that may be further substituted at O-2 with xylosyl (Xyl) or Araf residues. Although xylan 3-O-arabinosyltransferases (XATs) catalyzing 3-O-Araf addition onto xylan have been characterized, glycosyltransferases responsible for the transfer of 2-O-Xyl or 2-O-Araf onto 3-O-Araf residues of xylan to produce the Xyl-Araf and Araf-Araf disaccharide side chains remain to be identified. In this report, we showed that a rice GT61 member, named OsXAXT1 (xylan arabinosyl 2-O-xylosyltransferase 1) herein, was able to mediate the addition of Xyl-Araf disaccharide side chains onto xylan when heterologously co-expressed with OsXAT2 in the Arabidopsis gux1/2/3 (glucuronic acid substitution of xylan 1/2/3) triple mutant that lacks any glycosyl substitutions. Recombinant OsXAXT1 protein expressed in human embryonic kidney 293 cells exhibited a xylosyltransferase activity catalyzing the addition of Xyl from UDP-Xyl onto arabinosylated xylooligomers. Further, consistent with its function as a xylan arabinosyl 2-O-xylosyltransferase, CRISPR-Cas9-mediated mutations of the OsXAXT1 gene in transgenic rice plants resulted in a reduction in the level of Xyl-Araf disaccharide side chains in xylan. Furthermore, we revealed that XAXT1 close homologs from several other grass species, including switchgrass, maize, and Brachypodium, possessed the same functions as OsXAXT1, indicating functional conservation of XAXTs in grass species. Together, our findings establish that grass XAXTs are xylosyltransferases catalyzing Xyl transfer onto O-2 of Araf residues of xylan to form the Xyl-Araf disaccharide side chains, which furthers our understanding of genes involved in xylan biosynthesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Redox‐Functionalized Semiconductor Interfaces for Photoelectrochemical Separations

Redox-mediated electrosorption is a promising platform for selective electrochemical (EC) separations, due to its molecular selectivity, high uptake, and tunability for target ions. However, the electrical energy required is mainly generated by non-renewable energy sources, which limits its sustainability and overall impact to decarbonization. Here, a redox-mediated photoelectrochemical (PEC) separation process using polyvinyl ferrocene functionalized TiO 2 nanorod electrodes is proposed, which integrates direct solar energy as a driver for the selective electrosorption. The photoelectrochemically-driven oxidation and reduction with both homogeneous and heterogeneous ferrocene-systems is investigated to establish the underlying mechanism. The PEC system can separate heavy metal oxyanions at lower voltages or even without electrical energy. At 0.3 V versus SCE, a 124 mg g −1 uptake for Mo is achieved, which is comparable to the performance of EC cells at 0.75 V versus SCE. Thus, PEC systems not only can generate energy for spontaneous redox-separations, but also can reduce electrical energy consumption by 51.4% compared to EC cells for separation processes when coupled with an external electrical energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2020

Basin-Scale River Runoff Estimation from GRACE Gravity Satellites, Climate Models and In Situ Observations: a Case Study in the Amazon Basin

River runoff is estimated as a water budget residual using Gravity Recovery and Climate Experiment (GRACE) terrestrial water storage time series, ERA5 reanalysis data, and precipitation observations for January 2003 through December 2015 for the Obidos upstream drainage basin and for the entire Amazon basin. Estimated runoff based on the water budget agrees remarkably well with in situgauge observations at Obidos, especially at seasonal time scales, with nearly perfect phase agreementbut slightly larger seasonal amplitude. The discrepancy in the seasonal amplitude maybe attributed to underestimation of river gauge runoff during the wet season when water overflows the riverbanks. The ERA5 model appears to overestimate long-term mean evapotranspiration in the Amazon by ~2 cm/monthb ased on comparisons with precipitation and runoff observations. Using precipitation data based on satellites and gauge observations relative to gauge observations alone improved agreement between water budget runoff estimates and in situ runoff observations. Seasonal variations in ERA5 simulated runoff are about twice as large as those from in situobservations and show a large phase lag as well. Water budget based runoff for the entire Amazon (~ 7,200 km3averaged 29over the 13 yr period) is significantly larger than observed runoff (~5,700 km3) at notably larger than previous estimates for the entire Amazon. These differences may be partly related to submarine runoff from the Amazon basin that cannot be captured by surface gauges.

Jianli Chen↗

DOE OSTI2020

Transients using low-high pulsed power in inductively coupled plasmas

Pulsed inductively coupled plasmas (ICPs) are widely deployed in the fabrication of semi-conductor devices. Pulse repetition frequencies (PRFs) of up to tens of kHz are commonly used during plasma etching for the high power densities they generate during the pulse-on period, and for their unique chemistries during the pulse-off period. The use of highly attaching halogen gases produces low electron densities during the pulse-off period, and these low density can result in instabilities, E-H transitions and ignition delays when applying power on the next pulse. To mitigate these possibilities, a low-level power environment could be maintained during “pulse-off” to moderate the minimum plasma density, therefore reducing ignition delays and enhancing plasma stability. In this work, ICPs sustained by 5 kHz pulsed power using Ar/Cl 2 mixtures at 20 mTorr were computationally investigated. For these conditions, the computed electron temperature (T e ) reaches a quasi-steady state during both the high- and low-power excitation. The model predicts that within the electromagnetic skin-depth, T e spikes to a high value during a low-to-high power modulation, and to a low value during a high-to-low power modulation. At the same time, a few cm above the substrate, there is little modulation in T e , as electron power convected from the skin depth disperses in traversing the reactor. Finally, the positive and negative spikes, and convection of transients across the reactors, are functions of power ramping time and gas mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Emergence of two distinct phase transitions in monolayer CoSe2 on graphene

Abstract Dimensional modifications play a crucial role in various applications, especially in the context of device miniaturization, giving rise to novel quantum phenomena. The many-body dynamics induced by dimensional modifications, including electron-electron, electron-phonon, electron-magnon and electron-plasmon coupling, are known to significantly affect the atomic and electronic properties of the materials. By reducing the dimensionality of orthorhombic CoSe 2 and forming heterostructure with bilayer graphene using molecular beam epitaxy, we unveil the emergence of two types of phase transitions through angle-resolved photoemission spectroscopy and scanning tunneling microscopy measurements. We disclose that the 2 × 1 superstructure is associated with charge density wave induced by Fermi surface nesting, characterized by a transition temperature of 340 K. Additionally, another phase transition at temperature of 160 K based on temperature dependent gap evolution are observed with renormalized electronic structure induced by electron-boson coupling. These discoveries of the electronic and atomic modifications, influenced by electron-electron and electron-boson interactions, underscore that many-body physics play significant roles in understanding low-dimensional properties of non-van der Waals Co-chalcogenides and related heterostructures. Graphical Abstract

36 MATERIALS SCIENCE↗

NASA NTRS2015

Experimental Results of the First Two Stages of an Advanced Transonic Core Compressor Under Isolated and Multi-Stage Conditions

NASA's Environmentally Responsible Aviation (ERA) Program calls for investigation of the technology barriers associated with improved fuel efficiency of large gas turbine engines. Under ERA the task for a High Pressure Ratio Core Technology program calls for a higher overall pressure ratio of 60 to 70. This mean that the HPC would have to almost double in pressure ratio and keep its high level of efficiency. The challenge is how to match the corrected mass flow rate of the front two supersonic high reaction and high corrected tip speed stages with a total pressure ratio of 3.5. NASA and GE teamed to address this challenge by using the initial geometry of an advanced GE compressor design to meet the requirements of the first 2 stages of the very high pressure ratio core compressor. The rig was configured to run as a 2 stage machine, with Strut and IGV, Rotor 1 and Stator 1 run as independent tests which were then followed by adding the second stage. The goal is to fully understand the stage performances under isolated and multi-stage conditions and fully understand any differences and provide a detailed aerodynamic data set for CFD validation. Full use was made of steady and unsteady measurement methods to isolate fluid dynamics loss source mechanisms due to interaction and endwalls. The paper will present the description of the compressor test article, its predicted performance and operability, and the experimental results for both the single stage and two stage configurations. We focus the detailed measurements on 97 and 100 of design speed at 3 vane setting angles.

turbomachinery↗

DOE OSTI2023

Coherent heteroepitaxial growth of I-III-VI 2 Ag(In,Ga)S 2 colloidal nanocrystals with near-unity quantum yield for use in luminescent solar concentrators

Colloidal Ag(In,Ga)S 2 nanocrystals (AIGS NCs) with the band gap tunability by their size and composition within visible range have garnered surging interest. High absorption cross-section and narrow emission linewidth of AIGS NCs make them ideally suited to address the challenges of Cd-free NCs in wide-ranging photonic applications. However, AIGS NCs have shown relatively underwhelming photoluminescence quantum yield (PL QY) to date, primarily because coherent heteroepitaxy has not been realized. Here, we report the heteroepitaxy for AIGS-AgGaS 2 (AIGS-AGS) core-shell NCs bearing near-unity PL QYs in almost full visible range (460 to 620 nm) and enhanced photochemical stability. Key to the successful growth of AIGS-AGS NCs is the use of the Ag-S-Ga(OA) 2 complex, which complements the reactivities among cations for both homogeneous AIGS cores in various compositions and uniform AGS shell growth. The heteroepitaxy between AIGS and AGS results in the Type I heterojunction that effectively confines charge carriers within the emissive core without optically active interfacial defects. AIGS-AGS NCs show higher extinction coefficient and narrower spectral linewidth compared to state-of-the-art heavy metal-free NCs, prompting their immediate use in practicable applications including displays and luminescent solar concentrators (LSCs).

42 ENGINEERING↗

DOE OSTI2023

Irradiation performance of a U-7Mo in Al-Si matrix dispersion full-size fuel plate assembly

The Korea Atomic Energy Research Institute (KAERI) is leading the Ki-Jang Research Reactor (KJRR) project with the intent to develop a new reactor for medical isotope production and other nuclear research purposes. The KJRR core is designed to use high density fuel system where uranium alloyed with 7 wt% molybdenum (U-7Mo) particles are dispersed in a matrix of aluminum alloyed with 5 wt% silicon (Al-5Si) and clad in aluminum alloy 6061 (Al-6061) to form fuel plates. KAERI developed a fabrication facility to construct KJRR fuel assemblies and partnered with the Idaho National Laboratory (INL) to irradiate a full-size fuel assembly, with 21 total fuel plates, in the Advanced Test Reactor (ATR). Irradiation testing and subsequent Post Irradiation Exam (PIE) campaigns were performed successfully over a multi-year project. Monte Carlo neutronic calculations, coupling with a depletion code, were performed based on ATR’s as-run power history which showed that the highest power plate (plate 20) reached 83.1 % end-of-life (EOL) local burnup based on initial 235 U content. Additionally, finite element thermal modeling was performed based as-run power history which showed a beginning-of-life (BOL) peak local heat flux of 184 W/cm 2 . No anomalous fuel performance was observed during the irradiation and target test conditions were achieved. PIE showed favorable performance of the fuel assembly regarding all important phenomena. This paper describes the KJRR fuel assembly irradiation conditions and PIE data to support the conclusion that it performed well, without evidence of unexpected or problematic fuel performance, within an irradiation test designed to bound the KJRR design environment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Highly crystalline, low-ash, graphite from coal using an Fe 2 O 3 -based catalytic process with recovery and reuse of catalyst and process acid

This study presents a sustainable process for producing highly crystalline, low-ash graphite from sub-bituminous coal using an Fe 2 O 3 -based catalytic method. The process integrates coal mineral removal, catalyst regeneration, and reagent recycling into a closed-loop system. Acid-soluble Fe-residue and mineral impurities are eliminated from the solid graphite through HCl treatment, followed by hydrolytic distillation to regenerate Fe 2 O 3 and recover HCl for reuse. Coal-derived silica is removed with a KOH rinse, yielding low-ash graphite suitable for high-performance applications. The closed-loop catalytic graphitization, where the recovered Fe 2 O 3 and HCl are used in subsequent graphitization runs, produces graphite with a degree of graphitization exceeding 95%. The L a and L c crystallite sizes reach 65–78 nm and 44–48 nm, respectively, with BET surface areas of 4–10 m 2 /g and an ash content below 0.1 wt.%. Lithium-ion battery testing reveals that anodes fabricated with this graphite deliver an initial discharge capacity between 384.5 and 421.2 mAh/g, averaging 395.0 ± 19.1 mAh/g, along with initial coulombic efficiencies of 85.0–89.1%. After 100 discharge–charge cycles at 0.25C, reversible capacities remain between 358.8 and 369.7 mAh/g, while coulombic efficiency stays above 99.9%. The findings highlight that coal can serve as a viable precursor for high-quality graphite production under relatively mild conditions, avoiding the need for extreme temperatures or aggressive reagents such as hydrofluoric acid, commonly employed in conventional processes. This work demonstrates both technical feasibility and environmental benefits, emphasizing its potential to support large-scale, sustainable graphite production for applications such as lithium-ion batteries.

Catalytic graphitization↗

DOE OSTI2024

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of low fundamental frequency biases

The use of non-sinusoidal waveforms in low pressure capacitively coupled plasmas intended for microelectronics fabrication has the goal of customizing ion and electron energy and angular distributions to the wafer. One such non-sinusoidal waveform uses the sum of consecutive harmonics of a fundamental sinusoidal frequency, f 0 , having a variable phase offset between the fundamental and even harmonics. In this paper, we discuss results from a computational investigation of the relation between ion energy and DC self-bias when varying the fundamental frequency f 0 for capacitively coupled plasmas sustained in Ar/CF 4 /O 2 and how those trends translate to a high aspect ratio etching of trenches in SiO 2 . The fundamental frequency, f 0 , was varied from 1 to 10 MHz and the relative phase from 0° to 180°. Two distinct regimes were identified. Average ion energy onto the wafer is strongly correlated with the DC self-bias at high f 0 , with there being a maximum at φ = 0° and minimum at φ = 180°. In the low frequency regime, this correlation is weak. Average ion energy onto the wafer is instead dominated by dynamic transients in the applied voltage waveforms, with a maximum at φ = 180° and minimum at φ = 0°. The trends in ion energy translate to etch properties. In both, the high and low frequency regimes, higher ion energies translate to higher etch rates and generally preferable final features, though behaving differently with phase angle.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Compositionally Complex Spinel Oxides as Conversion Anodes for Lithium-Ion Batteries

Four different compositionally complex multicomponent M 3 O 4 spinels containing 5–8 distinct metals were prepared by a rapid combustion synthesis method or solvothermal synthesis. High resolution synchrotron X-ray diffraction patterns show that the materials consist primarily of spinel phases with small amounts of rock salt impurities, and, in several samples, a minor amount of contracted spinel phase. Materials were investigated as conversion anodes in lithium half-cells and delivered significantly higher capacities than two-component MgFe 2 O 4 made by combustion synthesis. X-ray absorption near-edge structure (XANES) was used to estimate the oxidation states of the metals in the pristine, lithiated (discharged) and delithiated (charged) materials to better understand the redox processes in half cells that led to the improvement. Co, Ni, and Zn are reduced to low oxidation states during lithiation (cell discharge) but are only partially oxidized. The presence of a conductive metallic network that forms after lithiation is thought to account for the improved electrochemical characteristics. Interestingly, in most of the samples, iron is not fully reduced during initial lithiation unlike what happens with a set of related high entropy spinel ferrites studied previously. Finally, the improved electrochemical properties of these materials illustrates both the advantages of complexity and the difficulties in predicting their behavior.

25 ENERGY STORAGE↗

DOE OSTI2024

Terahertz-polarizing effect based on geometric anisotropy of Ti 3 C 2 T x MXene nanosheets

Two-dimensional (2D) nanomaterials have garnered considerable attention due to their unique properties, such as thinness and excellent electronic properties. The inherent anisotropy of 2D nanomaterials, which is characterized by their high aspect ratio, can maximize the directional functionality to enhance the conductivity and utilization of edges. Here, we demonstrate how to utilize the edges of titanium carbide (Ti 3 C 2 T x ) MXene nanosheet to control the linear polarization in the terahertz (THz) frequency range. By a simple and unique vertical alignment exploiting the high surface charge and excellent colloidal dispersibility of MXene nanosheets, MXene nanosheets are vertically oriented along an applied AC electric field. The well-aligned edges justify the THz polarizing effect, revealing outstanding performances such as the broadband coverage in 0.2–1.5 THz and an exceptional extinction ratio reaching 20 dB. Furthermore, we vary the local orientation of the vertical MXene nanosheets by tailoring the applied electric field, enabling spatially controllable polarization capabilities. Our results can provide a generic tool for the utilization of 2D nanomaterials in diverse potential applications in optics and electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2

Direct-acting antivirals for the treatment of the COVID-19 pandemic caused by the SARS-CoV-2 virus are needed to complement vaccination efforts. Given the ongoing emergence of new variants, automated experimentation, and active learning based fast workflows for antiviral lead discovery remain critical to our ability to address the pandemic’s evolution in a timely manner. While several such pipelines have been introduced to discover candidates with noncovalent interactions with the main protease (M pro ), here we developed a closed-loop artificial intelligence pipeline to design electrophilic warhead-based covalent candidates. Here, this work introduces a deep learning-assisted automated computational workflow to introduce linkers and an electrophilic “warhead” to design covalent candidates and incorporates cutting-edge experimental techniques for validation. Using this process, promising candidates in the library were screened, and several potential hits were identified and tested experimentally using native mass spectrometry and fluorescence resonance energy transfer (FRET)-based screening assays. We identified four chloroacetamide-based covalent inhibitors of M pro with micromolar affinities (K I of 5.27 μM) using our pipeline. Experimentally resolved binding modes for each compound were determined using room-temperature X-ray crystallography, which is consistent with the predicted poses. The induced conformational changes based on molecular dynamics simulations further suggest that the dynamics may be an important factor to further improve selectivity, thereby effectively lowering KI and reducing toxicity. These results demonstrate the utility of our modular and data-driven approach for potent and selective covalent inhibitor discovery and provide a platform to apply it to other emerging targets.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2015

Exprimental Results of the First Two Stages of an Advanced Transonic Core Compressor Under Isolated and Multi-Stage Conditions.

NASA's Environmentally Responsible Aviation (ERA) Program calls for investigation of the technology barriers associated with improved fuel efficiency for large gas turbine engines. Under ERA, the highly loaded core compressor technology program attempts to realize the fuel burn reduction goal by increasing overall pressure ratio of the compressor to increase thermal efficiency of the engine. Study engines with overall pressure ratio of 60 to 70 are now being investigated. This means that the high pressure compressor would have to almost double in pressure ratio while keeping a high level of efficiency. NASA and GE teamed to address this challenge by testing the first two stages of an advanced GE compressor designed to meet the requirements of a very high pressure ratio core compressor. Previous test experience of a compressor which included these front two stages indicated a performance deficit relative to design intent. Therefore, the current rig was designed to run in 1-stage and 2-stage configurations in two separate tests to assess whether the bow shock of the second rotor interacting with the upstream stage contributed to the unpredicted performance deficit, or if the culprit was due to interaction of rotor 1 and stator 1. Thus, the goal was to fully understand the stage 1 performance under isolated and multi-stage conditions, and additionally to provide a detailed aerodynamic data set for CFD validation. Full use was made of steady and unsteady measurement methods to understand fluid dynamics loss source mechanisms due to rotor shock interaction and endwall losses. This paper will present the description of the compressor test article and its measured performance and operability, for both the single stage and two stage configurations. We focus the paper on measurements at 97% corrected speed with design intent vane setting angles.

transonic compressors↗

DOE OSTI2022

Zn speciation and fate in soils and sediments along the ground transportation route of Zn ore to a smelter

We discuss assessment of Zn toxicity/mobility based on its speciation and transformations in soils as critical for maintaining human and ecosystem health. Zn-concentrate (56% Zn as ZnS, sphalerite) has been imported through a seaport and transported to a Zn-smelter for several decades, and smelting processes resulted in aerial deposition of Zn and sulfuric acids in two geochemically distinct territories around the smelter (mountain-slope and riverside). XAFS analysis showed that the mountain-slope soils contained franklinite (ZnFe 2 O 4 ) and amorphous (e.g., sorbed) species of Zn(II), whereas the riverside sediments contained predominantly hydrozincite [Zn 5 (OH) 6 (CO 3 ) 2 ], sphalerite, and franklinite. The mountain-slope soils had low pH and moderate levels of total Zn (~1,514 ppm), whereas the riverside sediments had neutral pH and higher total Zn (12,363 ppm). The absence of sphalerite and the predominance of franklinite in the mountain-slope soils are attributed to the susceptibility of sphalerite and the resistance of franklinite to dissolution at acidic pH. These results are compared to previous Zn analyses along the transportation routes, which showed that Zn-concentrate spilled along the roadside in dust and soils underwent transformation to various O-coordinated Zn species. Overall, Zn-concentrate dispersed in soils and sediments during transportation and smelting transforms into Zn phases of diverse stability and bioavailability during long-term weathering.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Opioid agonists binding and responses in SH-SY5Y cells

SH-SY5Y (human neuroblastoma) cultured cells, known to have mu-opioid receptors, have been used to assess and compare the ability of eight representative mu-selective compounds from diverse opioid families to recognize and activate these receptors. A wide range of receptor affinities spanning a factor of 10,000 was found between the highest affinity fentanyl analogs (Ki = 0.1nM) and the lowest affinity analog, meperidine (Ki = 1 microM). A similar range was found for inhibition of PGE1-stimulated cAMP accumulation with a rank order of activities that closely paralleled binding affinities. Maximum inhibition of cAMP accumulation by each compound was about 80%. Maximum stimulation of GTPase activity (approximately 50%) was also similar for all compounds except the lowest affinity meperidine. Both effects were naloxone reversible. These results provide further evidence that mu-receptors are coupled to inhibition of adenylate cyclase and that the SH-SY5Y cell line is a good system for assessment of mu-agonists functional responses.

Non-NASA Center↗