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DOE OSTI2021

Best Practices Handbook for the Collection and Use of Solar Resource Data for Solar Energy Applications: Third Edition

As the world looks for low-carbon sources of energy, solar power stands out as the single most abundant energy resource on Earth. Harnessing this energy is the challenge for this century. Photovoltaics, solar heating and cooling, and concentrating solar power (CSP) are primary forms of energy applications using sunlight. These solar energy systems use different technologies, collect different fractions of the solar resource, and have different siting requirements and production capabilities. Reliable information about the solar resource is required for every solar energy application. This holds true for small installations on a rooftop as well as for large solar power plants; however, solar resource information is of particular interest for large installations because they require substantial investment, sometimes exceeding 1 billion dollars in construction costs. Before such a project is undertaken, the best possible information about the quality and reliability of the fuel source must be made available. That is, project developers need reliable data about the solar resource available at specific locations, including historic trends with seasonal, daily, hourly, and (preferably) subhourly variability to predict the daily and annual performance of a proposed power plant. Without these data, an accurate financial analysis is not possible. Additionally, with the deployment of large amounts of distributed photovoltaics, there is an urgent need to integrate this source of generation to ensure the reliability and stability of the grid. Forecasting generation from the various sources will allow for larger penetrations of these generation sources because utilities and system operators can then ensure stable grid operations. Developed by the foremost experts in the field who have come together under the umbrella of the International Energy Agency’s Solar Heating and Cooling Task 46, this handbook summarizes state-of-the-art information about all these topics.

14 SOLAR ENERGY↗

DOE OSTI2021

Bishop Paiute's Residential Solar Program Phase III

The project consisted of the design, installation, inspection, interconnection and monitoring of 40 grid-tied solar electric systems, totaling up to 108 kW rated capacity, on qualified existing low-income single-family homes located within the Bishop Paiute Reservation. The systems are to provide at least 30-75% savings in displaced electricity totaling 175,000 kWh/year. After the DOE grant contract was signed, the Tribal Employment Rights Ordinance (TERO) board voted to reduce the tribal tax to work on the reservation for these low-income projects from 4% to 1%. This generous reduction was applied back into the community solar project and two additional tribal homes were added for a new total of 40 grid-tied solar electric systems, totaling up to 113 kW rated capacity (two more than originally planned) projects. Additionally, each homeowner was educated on energy efficiency and how solar works and saves them money. The estimated 75% savings on monthly electric bills brings financial relief to tribal homeowners and makes a significant difference on the reservation; giving low-income families money to spend on other essential items, while reducing their carbon footprint in this remote tribal reservation. The GRID IE program and this tribal project had a training component for tribal members to get free hands-on job training on 8 of the 40 homes. Those tribal members that came out to train with GRID IE could then be eligible for the “train to hire” portion of the program, on the remaining 32 homes. Overall, the triple impact of the Bishop Paiute Tribe Residential Solar Program Phase III—affordable energy for low-income families, on-site clean energy production, and hands-on solar installation jobs for local workers—these all help build the Tribe’s energy, economic, environmental goals and offers local self-sufficiency while supporting energy independence to the neediest on the Reservation.

14 SOLAR ENERGY↗

DOE OSTI2023

Bishop Paiute Single Family Solar Home Project: Phase 4 (Final Technical Report)

The Bishop Paiute Tribe is committed to energy efficiency, renewable energy, and environmental protection and has a vision to install solar energy systems on all buildings on the Reservation where technically feasible. Through completion of the Bishop Paiute Tribe Residential Solar Program – Phase 4, Bishop Paiute Tribe continued its successful model partnering with non-profit solar installer GRID Alternatives to advance its vision and build energy self-sufficiency on the Bishop Paiute Reservation. The Bishop Paiute Tribe Residential Solar Program – Phase IV deployed 67 kW-AC of new clean, renewable energy through grid-tied, net-metered rooftop solar electric systems installed on a total of 20 (one more than the planned 19) existing owner-occupied, single-family homes for low-income families on the Reservation. This represents nearly 14% of the Reservation’s total “unsolarized” homes. These systems were provided at no cost to the homeowners, who will also receive energy efficiency education to further reduce energy consumption and lower electric bills. GRID led a solar installation for three (3) of the homes where Tribal/community members, were given an opportunity in participating in on-the-roof trainings to gain new skills while installing solar for their low-income community members. Subcontractors through GRID Sub Contractor Partnership Program (GRID SPP) led solar installations for seventeen (17) of the homes. Each installation provided paid employment for a solar trainee trainees hired by the SPP subcontractors as entry level solar installers. It is estimated that the installed 67 kW-AC of solar will produce at least 120,000 kWh/year, displacing at least 30-75% of the 20 homes’ total electricity use for a combined system lifetime electricity cost savings for the low-income homeowners of about $\$$500,000. It is further estimated that the installed renewable energy systems installed will prevent greenhouse gases by about 1,000 tons, equivalent to planting approximately 25,000 trees. Following the successful completed installations, it is expected that the Reservation and surrounding communities will benefit from improved air quality via reduced wood stove use for heating. Cumulatively with other initiatives, the project will result in nearly 40% of the Reservation’s solarizable homes being solarized. Overall, the triple impact of the phase 4 of the Bishop Paiute Tribe Residential Solar Program – Phase 4 is: 1) affordable energy for low-income families; 2) on-site clean energy production, 3) hands on training and paid solar installation work for local tribal/community workers. These impacts will support and grow the Tribe’s energy, economic, environmental, and social self-sufficiency and sovereignty amongst the neediest on the Reservation.

14 SOLAR ENERGY↗

DOE OSTI2023

Requirements Description of GAMSOR and GAMSRC

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s GAMSOR and GAMSRC code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of verification tasks necessary to verify GAMSOR for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The GAMSOR program is a modified version of DIF3D used to obtain the coupled neutron gamma flux distributions for a given reactor system. GAMSOR was first developed in the 1980s and its work has progressed in parallel with DIF3D throughout its various development phases. While GAMSOR is compatible with DIF3D-FD and DIF3D-Nodal, DIF3D-VARIANT is most commonly used today and will be the focus of the present verification effort. As covered in [1], GAMSOR was built to provide more accurate heating distributions by explicitly solving for both the gamma and neutron heating distributions. Without this consideration, gamma heat is normally assumed to be deposited locally at the site of gamma production. This is acceptable for modeling some phenomena because the total energy production is preserved, but it can lead to inaccurate approximations of fluence-dependent behaviors such as fuel performance, swelling, cladding embrittlement, radiation induced creep, and power peaking. The outputs from GAMSOR are contained in multiple intermediate and final output files: FIXSRC, VARSRC, GTFLUX, GHFLUX, PWDINT, NPDINT, and GPDINT. DIF3D normally produces a PWDINT file containing power density results, with the assumption that gamma rays are absorbed where they are emitted (i.e., energy deposition is local with no modeled transport). With GAMSOR, neutron power density (NPDINT) and gamma power density (GPDINT) are both produced, with their summed power densities replacing the results in PWDINT for total heating (i.e., recoverable) power density.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Finding values in lignin: A promising yet under-utilized component of the lignocellulosic biomass

This article outlines the technical and economic potentials of lignin in unlocking sustainable biorefineries. The benefits of using this highly functionalized biopolymer for the growth of sustainable economy have been highlighted. But practically, the possibility of commercially substituting petroleum oil with lignin is still not very high as the estimated biofuel production cost is 2–3 times higher than the former one. However, with the advancement in technology and more efficient measures by biorefineries such as storing and processing the biomass near the field so as to reduce the transportation cost, it is possible to gain higher profits. Companies like Domtar, Stora Enso, Borregaard’s LignoTech, VITO, and Chemelot InSciTe have been promoting commercial value of lignin. The growth of lignin market after the start-up production at various sites has been discussed in this review. Combining the complete “start-to-finish” analysis with economic evaluation gives a pragmatic overview of the possibilities whether lignin will join petroleum oil as an efficient and cost-effective renewable source.

Jassal, Vidhisha↗

DOE OSTI2020

Quantum Monte Carlo Methods for Astrophysical Applications

In recent years, new astrophysical observations have provided a wealth of exciting input for nuclear physics. For example, the observations of two-solar-mass neutron stars put strong constraints on possible phase transitions to exotic phases in strongly interacting matter at high densities. Furthermore, the recent observation of a neutron-star merger in both the electromagnetic spectrum and gravitational waves has provided compelling evidence that neutron-star mergers are an important site for the production of extremely neutron-rich nuclei within the r-process. In the coming years, an abundance of new observations is expected, which will continue to provide crucial constraints on the nuclear physics of these events. To reliably analyze such astrophysical observations and extract information on nuclear physics, it is very important that a consistent approach to nuclear systems is used. Such an approach consists of a precise and accurate method to solve the nuclear many-body problem in nuclei and nuclear matter, combined with modern nuclear Hamiltonians that allow to estimate the theoretical uncertainties. Quantum Monte Carlo methods are ideally suited for such an approach and have been successfully used to describe atomic nuclei and nuclear matter. In this contribution, I will present a detailed description of Quantum Monte Carlo methods focusing on the application of these methods to astrophysical problems. In particular, I will discuss how to use Quantum Monte Carlo methods to describe nuclear matter of relevance to the physics of neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Gamma Rays from Kilonova: A Potential Probe of r-process Nucleosynthesis

The mergers of compact binaries with at least one neutron star component are the potential leading sites of the production and ejection of r-process elements. Discoveries of galactic binary pulsars, short gamma-ray bursts, and gravitational-wave detections have all been constraining the rate of these events, while the gravitational wave plus broadband electromagnetic coverage of binary neutron star merger (GW170817) has also placed constraints on the properties (mass and composition) of the merger ejecta. But uncertainties and ambiguities in modeling the optical and infrared emission make it difficult to definitively measure the distribution of heavy isotopes in these mergers. In contrast, gamma rays emitted in the decay of these neutron-rich ejecta may provide a more direct measurement of the yields. We calculate the gamma production in remnants of neutron star mergers, considering two epochs: a kilonova epoch, lasting about two weeks, and a much later epoch of tens and hundreds of thousands of years after the merger. For the kilonova epoch, when the expanding ejecta is still only partially transparent to gamma radiation, we use 3D radiative transport simulations to produce the spectra. Futhermore, we show that the gamma-ray spectra associated with beta- and alpha-decay provide a fingerprint of the ejecta properties and, for a sufficiently nearby remnant, may be detectable, even for old remnants. We compare our gamma spectra with the potential detection limits of next generation detectors, including the Lunar Occultation Explorer (LOX), the All-sky Medium Energy Gamma-ray Observatory (AMEGO), and the Compton Spectrometer and Imager (COSI). We show that fission models can be discriminated via the presence of short-lived fission fragments in the remnant spectra.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

GRIDCERF - Geospatial Raster Input Data for Capacity Expansion Regional Feasibility

The Geospatial Raster Input Data for Capacity Expansion Regional Feasibility (GRIDCERF) data package is a high-resolution product to evaluate siting suitability for renewable and non-renewable power plants in the conterminous United States. GRIDCERF offers hundreds of individual suitability layers for use with both renewable and non-renewable power plant technology configurations in a harmonized format that can be easily ingested by geospatially-enabled modeling software. It also provides pre-compiled technology-specific suitability layers and allows for user customization to robustly address science objectives when evaluating varying future conditions. GRIDCERF data can be directly used with the CERF (Capacity Expansion Regional Feasibility) model to site power plants at a 1km resolution. GRIDCERF includes composite technology siting suitability raster layers for the following utility scale technology configurations. Note that, in addition to technology sub-types shown below, various cooling types are also included (recirculating, pond, once-through, recirculating-seawater, dry-hybrid, or dry) for various technologies. Biomass Conventional (with or without CCS) IGCC (with or without CCS) Coal Conventional (with or without CCS) IGCC (with or without CCS) Natural Gas Combined-cycle (CC) (with or without CCS) Turbine Geothermal Enhanced Geothermal Systems (EGS) - Class 1 through Class 5 resource potential Nuclear Gen 2 Light Water Reactor (LWR) Gen 3 Small Modular Reactor (SMR) Gen 3 AP1000 Refined Liquids Combined-cycle (CC) (with or without CCS) Turbine Solar Photovoltaic (PV) - for capacity factors in the range of 6-18% Utility-scale Concentrating Solar Power (CSP) - for capacity factors in the range of 24-46% Tower Wind (Onshore) - for capacity factors in the range of 5-50% 80m hub height 100m hub height 120m hub height 140m hub height Wind (Offshore) - for capacity factors in the range of 25-60% 100m hub height 140m hub height 160m hub height

capacity expansion↗

DOE OSTI2026

GRIDCERF - Geospatial Raster Input Data for Capacity Expansion Regional Feasibility

capacity expansion↗

DOE OSTI2026

Effect of Mo precursors in Microwave-assisted Methane Dehydroaromatization over Mo/HZSM5 catalysts

Natural gas flaring occurs in remote shale regions due to limited pipeline takeaway capacity. The conversion of the associated natural gas into aromatics in modular microwave reactors is a viable alternative to monetize the wasted gas. Microwaves offer rapid, selective heating in compact reactor systems that can enable on-demand chemical production at the well-site. Mo-HZSM-5 catalysts are widely used for aromatic production, but the location and nature of the active sites are still under debate. This study focuses on the use of 6 different Mo precursors to elucidate insights into the Mo properties that are desirable for BTX production. The catalysts were characterized by different methods (XPS, TPR, Raman, etc) to determine differences in Mo catalytic properties that may affect performance and understand these differences through performance testing under microwave at 700C for methane dehydroaromatization. Metal precursors that enable a better distribution of Mo into the pores and over the surface lead to improved benzene yield, whereas those that limited Mo to primarily the surface suffer rapid deactivation and low benzene yields. Additionally, strong Lewis acidity that arises from the sodium containing precursor drastically shifts the product selectivity towards dehydrogenation, which produces more ethylene and carbon. This catalyst had the highest deactivation constant of all catalysts tested.

gas flaring reduction↗

DOE OSTI2021

Understanding Solar Photovoltaic System Performance: An Assessment of 75 Federal Photovoltaic Systems

This report presents a performance analysis of 75 photovoltaic systems based on PV system production data collected as part of a FEMP Federal PV Performance Assessment project combined with co-incident insolation, and ambient temperature to analyze how actual performance compares with a performance model. FEMP collaborated with 17 Federal agencies and sub-agencies to collect the information required to analyze the performance of each system. The systems represent a total capacity of 30,714 kW and range in size from 1 kW to 4,043 kW, with an average size of 410 kW, and were installed between 2011 and 2020. The data is analyzed for Key Performance Indicators, Availability, Performance Ratio and Energy Ratio by comparing the measured production data to model production data. The System Advisor Model (SAM) combines a description of the system (such as inverter capacity, de-rating for temperature, balance-of-system efficiency) with environmental parameters (coincident solar and temperature data) to calculate predicted performance. The performance metrics are calculated by lining up the measured production data with the model estimate on an hour-by-hour, day-by-day, or month-by-month basis (depending on the interval resolution of the production data). A report with system description, photo of the system, special assumptions made for the site, graph of measured production and model production, table of key performance indicators, and links to O&M resources that might improve performance was produced and delivered to site and agency staff with a short on-line briefing.

14 SOLAR ENERGY↗

DOE OSTI2020

Rainfall manipulation experiments as simulated by terrestrial biosphere models: Where do we stand?

Changes in rainfall amounts and patterns have been observed and are expected to continue in the near future with potentially significant ecological and societal consequences. Modelling vegetation responses to changes in rainfall is thus crucial to project water and carbon cycles in the future. In this study, we present the results of a new model-data intercomparison project, where we tested the ability of 10 terrestrial biosphere models to reproduce the observed sensitivity of ecosystem productivity to rainfall changes at 10 sites across the globe, in nine of which, rainfall exclusion and/or irrigation experiments had been performed. The key results are as follows: (a) Inter-model variation is generally large and model agreement varies with timescales. In severely water-limited sites, models only agree on the interannual variability of evapotranspiration and to a smaller extent on gross primary productivity. In more mesic sites, model agreement for both water and carbon fluxes is typically higher on fine (daily–monthly) timescales and reduces on longer (seasonal–annual) scales. (b) Models on average overestimate the relationship between ecosystem productivity and mean rainfall amounts across sites (in space) and have a low capacity in reproducing the temporal (interannual) sensitivity of vegetation productivity to annual rainfall at a given site, even though observation uncertainty is comparable to inter-model variability. (c) Most models reproduced the sign of the observed patterns in productivity changes in rainfall manipulation experiments but had a low capacity in reproducing the observed magnitude of productivity changes. Models better reproduced the observed productivity responses due to rainfall exclusion than addition. (d) All models attribute ecosystem productivity changes to the intensity of vegetation stress and peak leaf area, whereas the impact of the change in growing season length is negligible. Finally, the relative contribution of the peak leaf area and vegetation stress intensity was highly variable among models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Hydrological Controls on Riverbed Methane Emissions: A Numerical Investigation of Hydrodynamic and Ebullitive Mechanisms from Site to Basin Scales

Methane production and emission from riverbed sediments constitute a significant yet underexplored component of the river methane budget. Despite their importance, a mechanistic and quantitative understanding of these processes under dynamic flow conditions remains elusive, particularly at the basin scale. In this study, we investigate the multiscale (site-to-basin) mechanisms governing methane emissions from riverbeds, focusing on the interplay between biogeochemical processes and hydrological dynamics. We developed a reactive transport model that integrates methane production with hydrodynamic and ebullitive pathways and coupled it with a basin-scale groundwater flow model to simulate methane emissions across scales. By incorporating key factors such as vertical hydrological exchange flow (VHEF), particulate organic carbon availability, sediment properties, and temperature sensitivity, our model captures the spatiotemporal variability of methane ebullition at both the site and basin scales. Our results reveal that methane ebullition is strongly modulated by VHEF, with lower flow rates promoting methane accumulation and subsequent ebullition. Sensitivity analyses underscore nonlinear responses of methane fluxes to environmental drivers. Furthermore, these findings emphasize the critical roles of sediment composition, hydrological exchange, and environmental conditions in shaping methane dynamics. Overall, this work advances our understanding of riverine methane emissions and offers insights for guiding climate models and mitigation strategies.

Fluxes↗

DOE OSTI2020

Carbidic Mo is the sole kinetically-relevant active site for catalytic methane dehydroaromatization on Mo/H-ZSM-5

Systematic variation of Mo/Al = {0.10, 0.25, 0.35} in Mo/H-ZSM-5 catalysts effects ~20× change of Mo-to-H + ratio during methane dehydroaromatization (DHA) reactions at steady state and on deactivating catalysts. Mo and Brønsted-acid site count, respectively enumerated by ethane hydrogenolysis probe reaction and dimethyl ether chemical titration, evolve disparately during DHA catalysis, indicating the two sites reduce in number by distinct mechanisms. Here, the deactivation of Mo/H-ZSM-5 catalytic activity is uniquely attributed to the loss of active, or accessible, Mo sites, evinced by (i) the non-selective nature of deactivation (i.e. that deactivation occurs without modification of residual active sites), (ii) invariance in product distribution from Mo/H + = 0.10–2.1, and (iii) linear correspondence between Mo-catalyzed ethane hydrogenolysis rate and active site count during DHA on deactivating samples. DHA forward rate – the intrinsic kinetic descriptor of catalyst activity – normalizes by Mo content at steady state and on deactivating catalysts with Mo/Al = 0.10–0.35 for Mo-based contact times in the range τ Mo = 0.79–44 mol Mo s mol –1 C , unequivocally establishing Mo aggregates as the sole kinetically-relevant active site on Mo/H-ZSM-5. Brønsted-acid site content over a ~40× range in τ H+ = 1.4–54 mol H+ s mol –1 C has no discernable correlation with or effect on DHA rate, methane conversion, or product distribution – demonstrating H + does not catalyze any rate- or selectivity-determining steps in the benzene formation pathway and suggesting that the benefits of zeolitic acid sites are only to disperse Mo during catalyst synthesis and, conceivably, to catalyze equilibrated reaction steps.

02 PETROLEUM↗

DOE OSTI2024

SNL Human Reliability Analysis (Capstone Final Report)

Sandia National Laboratories (SNL) requested a measure of possible human error for each state verification method for a safety mechanism performed at partnering production agencies. A team of three human factors individuals were tasked with conducting observations during site visits of both production agencies in order to complete a Human Reliability Analysis (HRA). A HRA will be used because it provides both qualitative and quantitative reports of human error. This report is the first phase of that effort, which will describe the methods which occur at one of the production agencies.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Stabilized open metal sites in bimetallic metal–organic framework catalysts for hydrogen production from alcohols

Liquid organic hydrogen carriers such as alcohols and polyols are a high-capacity means of transporting and reversibly storing hydrogen that demands effective catalysts to drive the (de)hydrogenation reactions under mild conditions. We employed a combined theory/experiment approach to develop MOF-74 catalysts for alcohol dehydrogenation and examine the performance of the open metal sites (OMS), which have properties analogous to the active sites in high-performance single-site catalysts and homogeneous catalysts. Methanol dehydrogenation was used as a model reaction system for assessing the performance of five monometallic M-MOF-74 variants (M = Co, Cu, Mg, Mn, Ni). Co-MOF-74 and Ni-MOF-74 give the highest H 2 productivity. However, Ni-MOF-74 is unstable under reaction conditions and forms metallic nickel particles. To improve catalyst activity and stability, bimetallic (NixMg 1-x )-MOF-74 catalysts were developed that stabilize the Ni OMS and promote the dehydrogenation reaction. An optimal composition exists at (Ni 0.32 Mg 0.68 )-MOF-74 that gives the greatest H2 productivity, up to 203 mL gcat -1 min -1 at 300 °C, and maintains 100% selectivity to CO and H 2 between 225–275 °C. The optimized catalyst is also active for the dehydrogenation of other alcohols. DFT calculations reveal that synergistic interactions between the open metal site and the organic linker lead to lower reaction barriers in the MOF catalysts compared to the open metal site alone. This work expands the suite of hydrogen-related reactions catalyzed by MOF-74 which includes recent work on hydroformulation and our earlier reports of aryl-ether hydrogenolysis. Moreover, it highlights the use of bimetallic frameworks as an effective strategy for stabilizing a high density of catalytically active open metal sites.

08 HYDROGEN↗

DOE OSTI2026

A low-latitude, high-elevation 10Be production-rate calibration from the Rwenzori Mountains, Uganda

Cosmogenic nuclide surface-exposure dating has become a key tool in geomorphology. Robust application of the technique relies on determination of local nuclide production rates using independently dated calibration sites. However, there are few existing calibration sites in certain regions, particularly in low-latitude, high-elevation regions where cosmogenic nuclide production is theoretically more sensitive to changes in Earth's magnetic field and atmospheric conditions. We present a new cosmogenic beryllium-10 (10Be) production-rate calibration from the equatorial Rwenzori Mountains in Uganda. The calibration is based on radiocarbon dating of basal lake sediments (∼21.3 kyr BP) from Lake Mahoma (2900 m asl) and measured 10Be concentrations from boulders on the crest of a moraine which dams the lake. Our results indicate a time-integrated 10Be production rate of 15.83 ± 0.81 at/g/yr at Lake Mahoma. We then use these calibration data and two public online calculators to calculate ages for moraines in a separate Rwenzori valley for which there exists a minimum-limiting radiocarbon age constraint (∼12 kyr BP) on surficial glacial sediments. This enables us to assess the performance of different parameters used to scale production rates spatially and temporally (e.g., scaling frameworks, geomagnetic field reconstructions, atmospheric models) for surface-exposure age calculation in the region. Our results highlight the sensitivity of low-latitude cosmogenic nuclide surface-exposure ages to discrete calculation parameters, such as scaling framework or reconstructions of Earth's magnetic field, and the utility of determining production rates at sites where limiting age data exists for other nearby landforms.

Anderson, N [Dartmouth College]↗

DOE OSTI2023

Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors

A critical step for SARS-CoV-2 assembly and maturation involves the autoactivation of the main protease (MPro WT ) from precursor polyproteins. Upon expression, a model precursor of MPro WT mediates its own release at its termini rapidly to yield a mature dimer. A construct with an E290A mutation within MPro exhibits time dependent autoprocessing of the accumulated precursor at the N-terminal nsp4/nsp5 site followed by the C-terminal nsp5/nsp6 cleavage. In contrast, a precursor containing E290A and R298A mutations (MPro M ) displays cleavage only at the nsp4/nsp5 site to yield an intermediate monomeric product, which is cleaved at the nsp5/nsp6 site only by MPro WT . MPro M and the catalytic domain (MPro 1-199 ) fused to the truncated nsp4 region also show time-dependent conversion in vitro to produce MPro M and MPro 1-199 , respectively. The reactions follow first-order kinetics indicating that the nsp4/nsp5 cleavage occurs via an intramolecular mechanism. These results support a mechanism involving an N-terminal intramolecular cleavage leading to an increase in the dimer population and followed by an intermolecular cleavage at the C-terminus. Thus, targeting the predominantly monomeric MPro precursor for inhibition may lead to the identification of potent drugs for treatment.

59 BASIC BIOLOGICAL SCIENCES↗