Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “BC”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Identification of Columnar Aerosol Types Under High Aerosol Optical Depth Conditions for a Single AERONET Site in Korea

Dominant aerosol types were classified using level 2 inversion products for the Anmyon Aerosol Robotic Network (AERONET) site in Korea for the period 19992007. The aerosol types were mineral dust (MD), MD mixed with carbon, and black carbonmixed coarse particles (BCCP) for coarsemode aerosols, black carbon (BC), organic carbon (OC), and secondary inorganic ions (SII) for fine mode aerosols, and mixed particles between. The classification was carried out using a clustering method based on parameters, including single scattering albedo (SSA), absorption Angstrom exponent (AAE), and fine mode volume fraction (FMVF). Among the seven aerosol types, MD was distinct, with the highest AAE and a very low FMVF and SII with the highest SSA and FMVF. BCCP was introduced to designate coarse particles mixed with BC, of which the AAE was lower than 1, despite a low FMVF. In addition to a large difference in AAE between BC andOC, the SSA ofOC was larger than that of BC, indicating the effects of the white smoke produced from the smoldering phase of biomass burning. Monthly variations of the aerosol types were well interpreted by meteorology and emissions and coincided with those in the previous studies. Applying our results to well-characterized global AERONET sites, we confirmed that the aerosol types at Anmyon were valid at other sites. However, the results also showed that the mean properties for aerosol types were influenced by the specific aerosols prevalent at the study sites.

Choi, Yongjoo↗
NASA NTRS2018

Dynamical Response of Mediterranean Precipitation to Greenhouse Gases and Aerosols

Atmospheric aerosols and greenhouse gases affect cloud properties, radiative balance and, thus, the hydrological cycle. Observations show that precipitation has decreased in the Mediterranean since the beginning of the 20th century, and many studies have investigated possible mechanisms. So far, however, the effects of aerosol forcing on Mediterranean precipitation remain largely unknown. Here we compare the modeled dynamical response of Mediterranean precipitation to individual forcing agents in a set of global climate models (GCMs). Our analyses show that both greenhouse gases and aerosols can cause drying in the Mediterranean and that precipitation is more sensitive to black carbon (BC) forcing than to well-mixed greenhouse gases (WMGHGs) or sulfate aerosol. In addition to local heating, BC appears to reduce precipitation by causing an enhanced positive sea level pressure (SLP) pattern similar to the North Atlantic Oscillation-Arctic Oscillation, characterized by higher SLP at midlatitudes and lower SLP at high latitudes. WMGHGs cause a similar SLP change, and both are associated with a northward diversion of the jet stream and storm tracks, reducing precipitation in the Mediterranean while increasing precipitation in northern Europe. Though the applied forcings were much larger, if forcings are scaled to those of the historical period of 1901-2010, roughly one-third (31+/-17%) of the precipitation decrease would be attributable to global BC forcing with the remainder largely attributable to WMGHGs, whereas global scattering sulfate aerosols would have negligible impacts. Aerosol-cloud interactions appear to have minimal impacts on Mediterranean precipitation in these models, at least in part because many simulations did not fully include such processes; these merit further study. The findings from this study suggest that future BC and WMGHG emissions may significantly affect regional water resources, agricultural practices, ecosystems and the economy in the Mediterranean region.

Tang, Tao↗
NASA NTRS2018

Spatial Representativeness Error in the Ground-Level Observation Networks for Black Carbon Radiation Absorption

There is high uncertainty in the direct radiative forcing of black carbon (BC), an aerosol that strongly absorbs solar radiation. The observation-constrained estimate, which is several times larger than the bottom-up estimate, is influenced by the spatial representativeness error due to the mesoscale inhomogeneity of the aerosol fields and the relatively low resolution of global chemistry-transport models. Here we evaluated the spatial representativeness error for two widely used observational networks (AErosol RObotic NETwork and Global Atmosphere Watch) by downscaling the geospatial grid in a global model of BC aerosol absorption optical depth to 0.1° × 0.1°. Comparing the models at a spatial resolution of 2° × 2° with BC aerosol absorption at AErosol RObotic NETwork sites (which are commonly located near emission hot spots) tends to cause a global spatial representativeness error of 30%, as a positive bias for the current top-down estimate of global BC direct radiative forcing. By contrast, the global spatial representativeness error will be 7% for the Global Atmosphere Watch network, because the sites are located in such a way that there are almost an equal number of sites with positive or negative representativeness error.

Wang, Rong↗
NASA NTRS2020

How emissions uncertainty influences the distribution and radiative impacts of smoke from fires in North America

Fires and the aerosols that they emit impact air quality, health, and climate, but the abundance and properties of carbonaceous aerosol (both black carbon and organic carbon) from biomass burning (BB) remain uncertain and poorly constrained. We aim to explore the uncertainties associated with fire emissions and their air quality and radiative impacts from underlying dry matter consumed and emissions factors. To investigate this, we compare model simulations from a global chemical transport model, GEOS-Chem, driven by a variety of fire emission inventories with surface and airborne observations of black carbon (BC) and organic aerosol (OA) concentrations and satellite-derived aerosol optical depth (AOD). We focus on two fire-detection-based and/or burned-area-based (FD-BA) inventories using burned area and active fire counts, respectively, i.e., the Global Fire Emissions Database version 4 (GFED4s) with small fires and the Fire INventory from NCAR version 1.5 (FINN1.5), and two fire radiative power (FRP)-based approaches, i.e., the Quick Fire Emission Dataset version 2.4 (QFED2.4) and the Global Fire Assimilation System version 1.2 (GFAS1.2). We show that, across the inventories, emissions of BB aerosol (BBA) differ by a factor of 4 to 7 over North America and that dry matter differences, not emissions factors, drive this spread. We find that simulations driven by QFED2.4 generally overestimate BC and, to a lesser extent, OA concentrations observations from two fire-influenced aircraft campaigns in North America (ARCTAS and DC3) and from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network, while simulations driven by FINN1.5 substantially underestimate concentrations. The GFED4s and GFAS1.2-driven simulations provide the best agreement with OA and BC mass concentrations at the surface (IMPROVE), BC observed aloft (DC3 and ARCTAS), and AOD observed by MODIS over North America. We also show that a sensitivity simulation including an enhanced source of secondary organic aerosol (SOA) from fires, based on the NOAA Fire Lab 2016 experiments, produces substantial additional OA; however, the spread in the primary emissions estimates implies that this magnitude of SOA can be neither confirmed nor ruled out when comparing the simulations against the observations explored here. Given the substantial uncertainty in fire emissions, as represented by these four emission inventories, we find a sizeable range in 2012 annual BBA PM2.5 population-weighted exposure over Canada and the contiguous US (0.5 to 1.6 µg/cu. m). We also show that the range in the estimated global direct radiative effect of carbonaceous aerosol from fires (−0.11 to −0.048 W/sq. m) is large and comparable to the direct radiative forcing of OA (−0.09 W/sq. m) estimated in the Fifth Assessment Report (AR5) of the Intergovernmental Panel on Climate Change (IPCC). Our analysis suggests that fire emissions uncertainty challenges our ability to accurately characterize the impact of smoke on air quality and climate.

North America↗
NASA NTRS2021

Distinct Surface Response to Black Carbon Aerosols

For the radiative impact of individual climate forcings, most previous studies focused on the global mean values at the top of the atmosphere (TOA), and less attention has been paid to surface processes, especially for black carbon (BC) aerosols. In this study, the surface radiative responses to five different forcing agents were analyzed by using idealized model simulations. Our analyses reveal that for greenhouse gases, solar irradiance, and scattering aerosols, the surface temperature changes are mainly dictated by the changes of surface radiative heating, but for BC, surface energy redistribution between different components plays a more crucial role. Globally, when a unit BC forcing is imposed at TOA, the net shortwave radiation at the surface decreases by −5.87±0.67 W m −2 (W m −2 ) −1 (averaged over global land without Antarctica), which is partially offset by increased downward longwave radiation (2.32±0.38 W m −2 (W m −2 ) −1 from the warmer atmosphere, causing a net decrease in the incoming downward surface radiation of −3.56±0.60 W m −2 (W m −2 ) −1 . Despite a reduction in the downward radiation energy, the surface air temperature still increases by 0.25±0.08 K because of less efficient energy dissipation, manifested by reduced surface sensible (−2.88±0.43 W m −2 (W m −2 ) −1 ) and latent heat flux (−1.54±0.27 W m −2 (W m −2 ) −1 ), as well as a decrease in Bowen ratio (−0.20±0.07 (W m −2 ) −1 ). Such reductions of turbulent fluxes can be largely explained by enhanced air stability (0.07±0.02 K (W m −2 ) −1 ), measured as the difference of the potential temperature between 925 hPa and surface, and reduced surface wind speed (−0.05±0.01 m s −1 (W m −2 ) −1 ). The enhanced stability is due to the faster atmospheric warming relative to the surface, whereas the reduced wind speed can be partially explained by enhanced stability and reduced Equator-to-pole atmospheric temperature gradient. These rapid adjustments under BC forcing occur in the lower atmosphere and propagate downward to influence the surface energy redistribution and thus surface temperature response, which is not observed under greenhouse gases or scattering aerosols. Our study provides new insights into the impact of absorbing aerosols on surface energy balance and surface temperature response.

radiative impact↗
NASA NTRS2022

Long-Term Variation of Aerosol Optical Properties Associated With Aerosol Types Over East Asia Using AERONET and Satellite (VIIRS, OMI) Data (2012–2019)

We analyzed annual and seasonal frequency in aerosol type over an 8-year period (2012–2019) to identify aerosol parameter trends over four ground sites and country regions in Korea, China, and Japan by using the Aerosol Robotic Network (AERONET), and the satellite-based Visible Infrared Imaging Radiometer Suite (VIIRS) and Ozone Monitoring Instrument (OMI). Decreasing trends are shown for aerosol optical depth (AOD), Ångstr¨om exponent (AE), and fine mode fraction (FMF) in all countries. The decreasing trend in these data is considered to be due to a decrease in anthropogenic emissions. For the aerosol type frequency, decreases in the proportions of carbonaceous aerosols (CA) and non-absorbing aerosols (NA) were shown in the ground and satellite data, respectively. At most sites, the fractions of low AOD case (LOW) increased, whereas those of the Black and Brown Carbon (BC + BrC) category decreased. In Seoul, the fraction of LOW increased from 48.9% to 70.0%, and that of BC + BrC decreased continuously from 20.4% to 11.1% during 2012–2019. Beijing, on the other hand, showed decreasing LOW from 83.3% (2012) to 52.0% (2019), and that of BC + BrC increased significantly, from 2.4% to 26.2%. The satellite data showed that the percentage of LOW increased continuously, while that of NA aerosols decreased continuously in East Asia. A noticeable decrease in the fraction of CA was detected in China [21.5% (2013) to 11.2% (2019)]. In all countries, CA and NA aerosols had the greatest effect in winter and summer, respectively. We also detected significant differences between the fractions of NA and BC between the ground and satellite data. Changes in aerosol type and properties were observed concurrently in all ground and satellite data, and changes in aerosol type may explain the increasing and decreasing trends that we recorded for most parameters. Consistent results from both ground and satellite data suggest a steady decreasing in fine aerosol pollution in East Asia.

Sujin Eom↗
DOE OSTI2020

Risk to Ecological Resources on Burial Waste Sites on the Hanford Site, Washington - 20248

The US and other nations have a large nuclear and chemical waste remediation task remaining from World War II, the Cold War, and industrial activities. The US Department of Energy (DOE) has the largest task in the U.S., with Hanford (Washington State) being the most contaminated site, with the longest and most costly cleanup program projected to extend to the end of the century. One of the greatest remediation problems at Hanford are the burial waste facilities, some of which are inside the 200 Areas on the Central Plateau, while others are outside the 200 Areas. These areas are associated with waste sites, pipes, and contaminated trenches, posing technical cleanup challenges to meet DoE's remediation goals, including protection of human health and the environment commensurate with Tri- Party Agreement and current regulatory requirements. In this paper we select one of the legacy waste sites (the BC Cribs and Trenches) as a case study to explore how risk to ecological resources varies during and as a consequence of remediation on sites primarily considered legacy waste sites. We used the risk methodology developed by the Consortium for Risk Evaluation with Stakeholder Participation (CRESP) during the Hanford Site-wide Risk Review. The CRESP methodology included evaluating the risk to receptors, including human health, the Columbia River, groundwater, and ecological and cultural resources. The risk evaluation process for ecological receptors included defining the boundaries of each evaluation unit (EU) to be remediated, definition of a suitable buffer area that might be affected, and consideration of the known resource value based on field work. This information, coupled with known remediation options or strategies, allowed us to develop a risk rating for ecological resources. Site risks were evaluated on a scale of 'not discernible' to 'very high' risk. Consideration of the risks at the buried waste sites was complicated by uncertainties in remediation methods and the degree of restoration that would occur as part of the remediation process. We use the BC Cribs and Trenches as a case study to explore why the risks are low currently but increase during remediation. The current 'not discernible to low' risk rating is due to the lack of high quality ecological resources on the BC Cribs and Trenches EU, except for edge areas (with some state-listed species). During remediation the risks increase to 'medium', mainly due to high quality resources on adjacent buffer lands, which could be disrupted during active remediation. Medium and high quality resources on the edge of the site are continuous with higher quality native shrub-steppe habitat on the buffer. Ecological resources on some of the areas surrounding the 200 East and West Areas are some of the highest quality shrub-steppe areas on the Hanford Site, and risk to these resources could be prevented by planning before and during remediation to minimize disruption. For example, lay down areas for the BC Cribs and Trenches can be minimized by careful planning. Heavy truck and other vehicular traffic can be minimized. Spread of the noxious weeds now on some of the site can be prevented, and the spread of invasive species into the site (particularly near undisturbed shrub-steppe habitat) can be reduced. Further, the areas around and between the 200 East and West Areas have been largely undisturbed and can serve as a source of seeds and propagules for any revegetation that occurs as part of the remediation process. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Carbon source-induced changes in the transcriptional landscape of Novacetimonas hansenii

Novacetimonas hansenii is a model organism for bacterial cellulose (BC) production, a biopolymer with broad industrial applications. To better understand its carbon source-dependent metabolism, we conducted the first time-resolved transcriptomic analysis of N. hansenii ATCC 23769 grown on five carbon sources (glucose, fructose, mannitol, galactose, and sucrose) across five time points (24–120h). Glucose, fructose, and mannitol supported growth and efficient BC production, whereas galactose and sucrose resulted in poor yields, likely due to limited transport and enzymatic capacity. Solid-state NMR revealed that cellulose crystallinity and polymorphism were carbon source-dependent, with reduced bcsD expression correlating with lower crystallinity. Transcriptomic profiling showed distinct metabolic responses. Cultures containing glucose and mannitol activated core metabolic pathways, fructose induced a delayed adaptive shift, and galactose and sucrose triggered stress-related gene expression. These results highlight the metabolic plasticity of N. hansenii and offer insights for enhancing BC production through carbon source optomization.

Bacterial cellulose↗
DOE OSTI2020

Fused ring non-fullerene acceptors with benzothiophene dioxide end groups and their side chain effect investigations

The development of small molecule-based non-fullerene acceptors (NF-SMAs) greatly advanced the performances of polymer solar cells (PSCs) in recent years. As the foreseeability of commercializing this technology in the future, interest in reducing the materials cost is rising. To this end, efforts have been made in this work on exploring the usage of commercially available chemical segment of benzothiophene dioxide (BC) in constructing efficient NF-SMAs. Thus, we designed and synthesized two BC-based NF-SMAs, which showed high power conversion efficiency (PCE) of 7.59% also by device engineering and side chain engineering. Our work revealed the full potential of using BC end groups in constructing high-performance NF-SMAs and demonstrated the application of side chain engineering in tuning material properties and performances.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A susceptibility gene signature for ERBB2-driven mammary tumour development and metastasis in collaborative cross mice

Background: Deeper insights into ERBB2-driven cancers are essential to develop new treatment approaches for ERBB2+ breast cancers (BCs). We employed the Collaborative Cross (CC) mouse model to unearth genetic factors underpinning Erbb2-driven mammary tumour development and metastasis. Methods: 732 F1 hybrid female mice between FVB/N MMTV-Erbb2 and 30 CC strains were monitored for mammary tumour phenotypes. GWAS pinpointed SNPs that influence various tumour phenotypes. Multivariate analyses and models were used to construct the polygenic score and to develop a mouse tumour susceptibility gene signature (mTSGS), where the corresponding human ortholog was identified and designated as hTSGS. The importance and clinical value of hTSGS in human BC was evaluated using public datasets, encompassing TCGA, METABRIC, GSE96058, and I-SPY2 cohorts. The predictive power of mTSGS for response to chemotherapy was validated in vivo using genetically diverse MMTV-Erbb2 mice. Findings: Distinct variances in tumour onset, multiplicity, and metastatic patterns were observed in F1-hybrid female mice between FVB/N MMTV-Erbb2 and 30 CC strains. Besides lung metastasis, liver and kidney metastases emerged in specific CC strains. GWAS identified specific SNPs significantly associated with tumour onset, multiplicity, lung metastasis, and liver metastasis. Multivariate analyses flagged SNPs in 20 genes (Stx6, Ramp1, Traf3ip1, Nckap5, Pfkfb2, Trmt1l, Rprd1b, Rer1, Sepsecs, Rhobtb1, Tsen15, Abcc3, Arid5b, Tnr, Dock2, Tti1, Fam81a, Oxr1, Plxna2, and Tbc1d31) independently tied to various tumour characteristics, designated as a mTSGS. hTSGS scores (hTSGSS) based on their transcriptional level showed prognostic values, superseding clinical factors and PAM50 subtype across multiple human BC cohorts, and predicted pathological complete response independent of and superior to MammaPrint score in I-SPY2 study. The power of mTSGS score for predicting chemotherapy response was further validated in an in vivo mouse MMTV-Erbb2 model, showing that, like findings in human patients, mouse tumours with low mTSGS scores were most likely to respond to treatment. Interpretation: Our investigation has unveiled many new genes predisposing individuals to ERBB2-driven cancer. Translational findings indicate that hTSGS holds promise as a biomarker for refining treatment strategies for patients with BC.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Black Carbon Deposited in Hariqin Glacier of the Central Tibetan Plateau Record Changes in the Emission from Eurasia

Black carbon (BC), by the combustion of fossil fuels and biomass, has profound effects on climate change and glacier retreat in industrial eras. In the present study, we report refractory BC (rBC) in an ice core spanning 1850–2014, retrieved from the Hariqin Glacier of the Tanggula Mountains in the central Tibetan Plateau, measured using a single particle soot photometer (SP2). The rBC concentration shows a three-fold increase since the 1950s. The mean rBC concentration was 0.71±0.52 ng mL-1 during 1850s–1940s and 2.11±1.60 ng mL-1 during 1950s–2010s. The substantial increase in rBC since the 1950s is consistent with rBC ice core records from the Tibetan Plateau and Eastern Europe. According to the predominant atmospheric circulation patterns over the glacier and timing of changes in regional emissions, the post-1950 amplification of rBC concentration in the central Tibetan Plateau most likely reflects increases in emissions in Eastern Europe, former USSR, the Middle East, and South Asia. Despite the low-level background rBC concentrations in the ice cores from the Tibetan Plateau, the present study highlights a remarkable increase in anthropogenic BC emissions in recent decades and the consequent influence on glaciers in the Tibetan Plateau.

Black carbon, Ice core, Tibetan Plateau, Industria↗
DOE OSTI2023

Climate effects of future aerosol reductions for achieving carbon neutrality in China

To limit the global warming to 1.5 °C above pre-industrial levels, beyond which the most dangerous impacts of climate change will occur, achieving carbon neutrality by the mid-21st century is essential. As the largest developing country and a significant contributor to carbon dioxide (CO 2 ) emissions, China has announced its ambitious climate commitment to pass carbon peak before 2030 and to achieve carbon neutrality by 2060. Both climate policies and regional clean air actions have been implemented for reductions in fossil fuel emissions, including the emissions of short-lived aerosols and precursors. Furthermore, in the context of pursuing carbon neutrality in China, aerosol reductions due to clean air actions and pollution control policies are very likely to have a great impact on climate. In this study, climate effects of aerosol reductions due to China's clean air actions under localized future emission scenarios are investigated using the Community Earth System Model version 1 (CESM1). Fully coupled and atmosphere-only experiments in years of carbon peak (2030) and carbon neutrality (2060) are performed with anthropogenic emissions of aerosols and precursors under “Current-goals” (Current) and “Carbon-Neutral” (Neutral) scenarios from the Dynamic Projection for Emissions in China (DPEC) model that consider socioeconomic development, climate policy, and pollution control actions (Figs. S1–S4 online). In addition, a present-day emissions simulation (PD) is conducted as the reference case (Supplementary materials online). Another sensitivity simulation is also conducted, with black carbon (BC) emissions set to follow the Neutral experiment but other emissions kept at the present-day levels (Neutral_BC), to quantify the relative roles of reducing strongly absorbing BC and other aerosols on future climate towards carbon neutrality. Greenhouse gases concentrations are kept at the 2015 levels in all simulations (Text S1 online).

Yang, Yang↗
DOE OSTI2022

Brown Carbon Fuel and Emission Source Attributions to Global Snow Darkening Effect

Snow and ice albedo reduction due to deposition of absorbing particles (i.e., snow darkening effect (SDE)) warms the Earth system and is largely attributed to black carbon (BC) and dust. Absorbing organic aerosol (BrC) also contributes to SDE but has received less attention due to uncertainty and challenges in model representation. This work incorporates the SDE of absorbing organic aerosol (BrC) from biomass burning and biofuel sources into the Snow Ice and Aerosol Radiative (SNICAR) model within a variant of the Community Earth System Model (CESM). Additionally, 12 different emission regions of BrC and BC from biomass burning and biofuel sources are tagged to quantify the relative contribution to global and regional SDE. BrC global SDE (0.021–0.056 Wm -2 ) is larger than other model estimates, corresponding to 37%–98% of the SDE from BC. When compared to observations, BrC simulations have a range in median bias (-2.5% to +21%), with better agreement in the simulations that include BrC photochemical bleaching. The largest relative contributions to global BrC SDE are traced to Northern Asia (23%–31%), Southeast Asia (16%–21%), and South Africa (13%–17%). Transport from Southeast Asia contributes nearly half of the regional BrC SDE in Antarctica (0.084–0.3 Wm -2 ), which is the largest regional input to global BrC SDE. Lower latitude BrC SDE is correlated with snowmelt, in-snow BrC concentrations, and snow cover fraction, while polar BrC SDE is correlated with surface insolation and snowmelt. This indicates the importance of in-snow processes and snow feedbacks on modeled BrC SDE.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts

The BINOL supported chiral boronate ester [C 10 H 12 O 2 BC 6 F5(THF)] [(R)-1], [C 10 H 12 O 2 BC 6 F 5 (O=PEt 3 )] [(R)-3] and [C 10 H 12 O 2 BC 6 F 5 ] 2 [(R,R)-2] as well as the chiral boronium salts [C 10 H 12 O 2 B(O=PEt 3 ) 2 ] + [B(O 2 C 10 H 12 ) 2 ] - , [(R)-6] and [C 10 H 12 O 2 B(O=SMe 2 ) 2 ] + [B(O 2 C 10 H 12 ) 2 ] [(R)-7] have been synthesized, characterized by NMR spectroscopy, and the solid state structures of [(R)-1], [(R,R)-2] and [(R)-3] determined. Chiral ester [(R)-1] was found to be a potent Lewis acid, similar to B(C 6 F 5 ) 3 , and capable of rapidly catalyzing the annulation of (R)-, (S)- and rac-styrene oxide with nitrone PhCH=N(O)Me to trans-2-methyl-3,6-diphenyl-1,4,2-dioxazine (trans-11) with high regio- and diastereoslectivities.

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

Prevalence of gp160 polymorphisms known to be related to decreased susceptibility to temsavir in different subtypes of HIV-1 in the Los Alamos National Laboratory HIV Sequence Database

Fostemsavir, a prodrug of the gp120-directed attachment inhibitor temsavir, is indicated for use in heavily treatment-experienced individuals with MDR HIV-1. Reduced susceptibility to temsavir in the clinic maps to discrete changes at amino acid positions in gp160: S375, M426, M434 and M475.To query the Los Alamos National Laboratory (LANL) HIV Sequence Database for the prevalence of polymorphisms at gp160 positions of interest. Full-length gp160 sequences (N = 7560) were queried for amino acid polymorphisms relative to the subtype B consensus at positions of interest; frequencies were reported for all sequences and among subtypes/circulating recombinant forms (CRFs) with ≥10 isolates in the database. Among 239 subtypes in the database, the 5 most prevalent were B (n = 2651, 35.1%), C (n = 1626, 21.5%), CRF01_AE (n = 674, 8.9%), A1 (n = 273, 3.6%) and CRF02_AG (n = 199, 2.6%). Among all 7560 sequences, the most prevalent amino acids at positions of interest (S 375 , 73.5%; M 426 , 82.1%; M 434 , 88.2%; M 475 , 89.9%) were the same as the subtype B consensus. Specific polymorphisms with the potential to decrease temsavir susceptibility (S 375 H/I/M/N/T/Y, M 426 L/P, M 434 I/K and M475I) were found in <10% of isolates of subtypes D, G, A6, BC, F1, CRF07_BC, CRF08_BC, 02A, CRF06_cpx, F2, 02G and 02B. S 375 H and M 475 I were predominant among CRF01_AE (S375H, 99.3%; M 475 I, 76.3%; consistent with previously reported low temsavir susceptibility of this CRF) and 01B (S 375 H, 71.7%; M 475 I, 49.5%). Analysis of the LANL HIV Sequence Database found a low prevalence of gp160 amino acid polymorphisms with the potential to reduce temsavir susceptibility overall and among most of the common subtypes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Superconductivity in the Li-B-C system at 100 GPa

Layer Li-B-C compounds have been shown to have feasible superconductivity. Using the adaptive genetic algorithm, we predict the structures of the Li-B-C system at 100 GPa. Here we identify several low-enthalpy metallic phases with stoichiometries of Li B 2 C, Li B 3 C, Li 2 BC 2 , Li 3 B 2 C 3 , Li 3 BC, and Li 5 BC. Using a fast screening method of electron-phonon interaction, we find that Li B 3 C is a promising candidate for superconductivity. The consecutive calculations using the full Brillouin zone confirm the existence of the strong electron-phonon coupling (EPC) in this system. The anharmonic B-C phonon modes near the zone center provide the major contribution to the EPC. The EPC constant is 1.40, and the estimated critical temperature is 22 K. In this paper, we indicate that superconductivity can also happen without a layered structural motif in the Li-B-C system. We also demonstrate an effective strategy for crystal structure prediction of superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

The SEMA3F-NRP1/NRP2 axis is a key factor in the acquisition of invasive traits in in situ breast ductal carcinoma

A better understanding of ductal carcinoma in situ (DCIS) is urgently needed to identify these preinvasive lesions as distinct clinical entities. Semaphorin 3F (SEMA3F) is a soluble axonal guidance molecule, and its coreceptors Neuropilin 1 (NRP1) and NRP2 are strongly expressed in invasive epithelial BC cells. We utilized two cell line models to represent the progression from a healthy state to the mild-aggressive or ductal carcinoma in situ (DCIS) stage and, ultimately, to invasive cell lines. Additionally, we employed in vivo models and conducted analyses on patient databases to ensure the translational relevance of our results. We revealed SEMA3F as a promoter of invasion during the DCIS-to-invasive ductal carcinoma transition in breast cancer (BC) through the action of NRP1 and NRP2. In epithelial cells, SEMA3F activates epithelialmesenchymal transition, whereas it promotes extracellular matrix degradation and basal membrane and myoepithelial cell layer breakdown. Together with our patient database data, these proof-of-concept results reveal new SEMA3F-mediated mechanisms occurring in the most common preinvasive BC lesion, DCIS, and represent potent and direct activation of its transition to invasion. Moreover, and of clinical and therapeutic relevance, the effects of SEMA3F can be blocked directly through its coreceptors, thus preventing invasion and keeping DCIS lesions in the preinvasive state.

60 APPLIED LIFE SCIENCES↗