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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.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Spectral and photochemical diversity of tandem cysteine cyanobacterial phytochromes

The atypical trichromatic cyanobacterial phytochrome NpTP1 from Nostoc punctiforme ATCC 29133 is a linear tetrapyrrole (bilin)-binding photoreceptor protein that possesses tandem-cysteine residues responsible for shifting its light-sensing maximum to the violet spectral region. Using bioinformatics and phylogenetic analyses, in this study we established that tandem-cysteine cyanobacterial phytochromes (TCCPs) compose a well-supported monophyletic phytochrome lineage distinct from prototypical red/far-red cyanobacterial phytochromes. To investigate the light-sensing diversity of this family, we compared the spectroscopic properties of NpTP1 (here renamed NpTCCP) with those of three phylogenetically diverged TCCPs identified in the draft genomes of Tolypothrix sp. PCC7910, Scytonema sp. PCC10023, and Gloeocapsa sp. PCC7513. Recombinant photosensory core modules of ToTCCP, ScTCCP, and GlTCCP exhibited violet-blue–absorbing dark-states consistent with dual thioether-linked phycocyanobilin (PCB) chromophores. Photoexcitation generated singly-linked photoproduct mixtures with variable ratios of yellow-orange and red-absorbing species. The photoproduct ratio was strongly influenced by pH and by mutagenesis of TCCP- and phytochrome-specific signature residues. Our experiments support the conclusion that both photoproduct species possess protonated 15E bilin chromophores, but differ in the ionization state of the noncanonical “second” cysteine sulfhydryl group. We found that the ionization state of this and other residues influences subsequent conformational change and downstream signal transmission. We also show that tandem-cysteine phytochromes present in eukaryotes possess similar amino acid substitutions within their chromophore-binding pocket, which tune their spectral properties in an analogous fashion. Taken together, our findings provide a roadmap for tailoring the wavelength specificity of plant phytochromes to optimize plant performance in diverse natural and artificial light environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Investigating the Effects of Bars on Star Formation and Nuclear Activity of Galaxies Using DESI Survey Data

We present a statistical analysis of the connections between galactic bars, star formation, and active galactic nucleus (AGN) activity using 33,201 disk galaxies (0.01 < z < 0.05) from Dark Energy Spectroscopic Instrument Data Release 1 (DESI DR1) cross-matched with Galaxy Zoo DESI. Based on morphological classifications, we identify 3508 strongly barred and 8335 weakly barred systems. We find that barred galaxies exhibit a clear bimodal distribution in color–mass space: weak bars are preferentially found in bluer, lower-mass disks, whereas strong bars are more common in massive, redder systems. Strongly barred galaxies are on average more massive and metal rich than unbarred systems. In addition, strong bars enhance central star formation rates (SFRs) in low-mass galaxies but reduce specific SFRs in massive systems, reflecting a dual role where bars initially trigger central star formation but eventually promote quenching by accelerating gas consumption. In terms of nuclear activity, barred galaxies display a higher incidence of AGN activity. The presence of a bar is also associated with an increased fraction of powerful AGN, with the highest proportions found in strongly barred systems. However, the correlations between AGN activity and detailed bar structural parameters are weak, suggesting that the link between bars and nuclear activity is indirect and regulated by multiple factors. Overall, our results support a scenario in which bars facilitate angular momentum transport and gas inflow, thereby driving central star formation and fueling supermassive black hole accretion while operating alongside other processes that shape galaxy evolution.

Liu, Jianfei [Chinese Academy of Sciences (CAS), B↗
DOE OSTI2026

Measuring spin correlation between quarks during QCD confinement

The vacuum is now understood to have a rich and complex structure, characterized by fluctuating energy fields and a condensate of virtual quark–antiquark pairs. The spontaneous breaking of the approximate chiral symmetry, signalled by the nonvanishing quark condensate $\langle$$q\bar{q}$$\rangle$, is dynamically generated through topologically nontrivial gauge configurations such as instantons. The precise mechanism linking the chiral symmetry breaking to the mass generation associated with quark confinement remains a profound open question in quantum chromodynamics (QCD)—the fundamental theory of strong interaction. High-energy proton–proton collisions could liberate virtual quark–antiquark pairs from the vacuum that subsequently undergo confinement to form hadrons, whose properties could serve as probes into QCD confinement and the quark condensate. Here we report evidence of spin correlations in $Λ\bar{Λ}$ hyperon pairs inherited from spin-correlated strange quark–antiquark virtual pairs. Measurements by the STAR experiment at the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory reveal a relative polarization signal of (18 ± 4)% that links the virtual spin-correlated quark pairs from the QCD vacuum to their final-state hadron counterparts. Crucially, this correlation vanishes when the hyperon pairs are widely separated in angle, consistent with the decoherence of the quantum system. Our findings provide a new experimental model for exploring the dynamics and interplay of quark confinement and entanglement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Design, calibration, and performance of a uniaxial pressure cell for neutron scattering studies of quantum magnetism

Here we provide an overview of a pressure cell designed to apply uniaxial pressure to single crystals for the study, by neutron scattering techniques, of strongly correlated magnetic systems and, in particular, quantum magnets. A detailed overview of the pressure cell components, their requirements, and links to the scientific and technical specifications are presented. The pressure cell is able to accommodate a 200 mm 3 single crystal that can be pressurized up to 2 GPa at cryogenic temperatures. The pressure cell is consistent with the requirements of inelastic neutron scattering and, importantly, neutron polarization analysis. A particular strength of the uniaxial pressure cell is the highly uniform and low background for a wide scattering angle of 360° horizontally and ±20° vertically. We show the performance of the uniaxial pressure cell using a relevant neutron scattering instrument, the polarized diffuse scattering instrument, D7. The experiments confirm that the cell complies with the scientific and technical requirements. This uniaxial pressure cell will provide a useful additional tool in the sample environment suite available for the study of quantum magnetism.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

A single genomic region controls primocane fruiting in tetraploid blackberry

The fresh-market blackberry ( Rubus subgenus Rubus ) industry has expanded dramatically in the past 2 decades, driven in part by improved cultivars. Introgression of the primocane-fruiting (PF; annual flowering) trait into elite germplasm has enabled dual cropping in a single year, season extension, and cultivation in tropical and subtropical regions. Despite its economic performance, the genetic basis of PF is not well understood. It has been proposed that the PF trait is controlled by a major recessive locus, but its genomic location is unclear. Here, a genome-wide association study (GWAS) of 365 tetraploid blackberry genotypes identified a single genomic region on chromosome Ra03 (∼33 Mb) strongly associated with PF. Genetic linkage analysis in a biparental population confirmed that the same interval (32–35 Mb) was linked to the PF phenotype. Ten putative candidate genes were identified in this region. Allele mining using whole-genome resequencing of 17 genotypes highlighted 2 high-priority candidates: a CCCH-type zinc finger gene and an ubiquitin-specific protease gene. Use of an improved Rubus argutus “Hillquist” genome annotation (v1.2) enabled refined variant interpretation, including identification of regulatory 3′ UTR polymorphisms in the zinc finger homolog. Two diagnostic KASP markers (PF1 and PF2), designed from the most significant GWAS SNPs, predicted the PF phenotype with over 96% accuracy in a validation panel of 494 tetraploid blackberries from multiple breeding programs. Together, these results provide the first high-resolution mapping of the PF locus in blackberry, identify candidate genes for flowering regulation in Rubus , and deliver diagnostic markers that can be immediately deployed in breeding programs.

GWAS↗
DOE OSTI2024

Privacy-Preserving Artificial Intelligence on Edge Devices: A Homomorphic Encryption Approach

Recent advancements in privacy-preserving artificial intelligence (AI) have paved the way for enhanced privacy in computational processes. A standing challenge, however, is the robust privacy preservation in AI algorithms, especially when integrated into edge devices and Internet-of-Thing (IoT) infrastructures. Most prevailing solutions have adopted traditional encryption methods which, though secure, often introduce significant overhead and potential dips in accuracy. In this study, we put forth an innovative approach, utilizing the CKKS encryption scheme, aiming to harmoniously balance computational efficiency with stringent data privacy. By harnessing the capabilities of Full Homomorphic Encryption (FHE) under the CKKS scheme, we ensure the preservation of privacy, successfully curbing the inherent noise traditionally linked with accuracy reductions in similar encryption-oriented solutions. Through comprehensive experiments, our approach showcased its potential as a strong contender for privacy preservation, demonstrating commendable performance across all tests, affirming that FHE is indeed viable for devices with constrained computational power and energy resources.

Khan, Muhammad Jahanzeb↗
DOE OSTI2021

Mortality predispositions of conifers across Western USA

Conifer mortality rates are increasing in North America, but the physiological mechanisms underlying this trend are still not well understood. We examined tree-ring based growth rates, stable carbon and oxygen isotope ratios (d13C and d18O, respectively) of dying and surviving conifers at eight old-growth forest sites across a strong moisture gradient in the western USA to retrospectively investigate mortality predispositions. Compared to surviving trees, lower growth of dying trees was detected at least one decade prior to mortality at seven of the eight sites. Intrinsic water-use efficiency (iWUE) increased over time in both surviving and dying trees, with a weaker increase in dying trees at five of the eight sites. The relationship between iWUE and d18O was much stronger and steeper for surviving trees, suggesting an important hydraulic role in mortality. Carbon starvation was a strong correlate of conifer mortality based on a conceptual model incorporating growth, d13C, and d18O. Our results provide a direct link of mortality to growth constraints in western USA conifers.

Wang, Wenzhi↗
DOE OSTI2020

Strong polaronic effect in a superatomic two-dimensional semiconductor

Crystalline solids assembled from superatomic building blocks are attractive functional materials due to their hierarchical structure, multifunctionality, and tunability. An interesting example is Re 6 Se 8 Cl 2 , in which the Re 6 Se 8 building blocks are covalently linked into two-dimensional (2D) sheets that are stacked into a layered van der Waals solid. It is an indirect gap semiconductor that, when heavily doped, becomes a superconductor at low temperatures. Given the finite electronic bandwidths (300–400 meV), carrier properties in this material are expected to be strongly influenced by coupling to phonons. Here, we apply angle-resolved photoemission spectroscopy to probe the valence band edge (VBE) of Re 6 Se 8 Cl 2 . We find that dispersion of the VBE is a strong function of temperature. The bandwidth is W = 120 ± 30 meV at 70 K and decreases by one order of magnitude to W ~ 10 ± 20 meV as temperature is increased to 300 K. This observation reveals the dominant polaronic effects in Re 6 Se 8 Cl 2 , consistent with the Holstein polaron model commonly used to describe molecular solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Impact of Halogen Groups on the Properties of PEA–Based 2D Pb–Sn Halide Perovskites

Tuning broad emission in 2D Pb–Sn halide perovskites (HPs) is essential for advancing optoelectronic applications, particularly for color-tunable and white-light-emitting devices. This broad emission is linked to structural factors, such as defects and phase segregation of the Pb component within the Pb–Sn system, which are strongly influenced by the molecular structure and chemical properties of spacer cations. Atomic tuning of the spacers via halogenation opens up a new way to fine-tune the molecular properties, enabling further augmentations of HP functionalities. Nevertheless, the distinct broad emission's sensitivity to spacer chemistry remains underexplored. Here, halogenation's influence is systematically investigated on 2D HP emission characteristics using a high-throughput workflow. These findings reveal that the F-containing phenethylammonium (4F-PEA) spacer narrows the broadband PL, whereas Cl broadens it. Through a correlative study, it is found that 4F-PEA reduces not only the local phase segregation but also the defect levels and microstrains in 2D HPs. This is likely attributed to the manifestation of less lattice distortion via stronger surface coordination of the dipole-augmented 4F-PEA. Furthermore, these results highlight halogenation as a key factor in modulating phase segregation and defect density in 2D Pb–Sn HPs, offering a promising pathway to tune the emission for enhanced optoelectronic performance.

2D Pb-Sn halide perovskites↗
DOE OSTI2023

Crystal structure of elvitegravir Form II, C 23 H 23 ClFNO 5

The crystal structure of elvitegravir Form II has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Elvitegravir Form II crystallizes in space group P2 1 (#4) with a = 11.54842(7), b = 14.04367(5), c = 13.33333(8) Å, β = 90.0330(6)°, V = 2162.427(14) Å 3 , and Z = 4. The crystal structure consists of alternating layers of parallel molecules perpendicular to the b-axis. The mean planes of the oxoquinoline ring systems in molecules 1 and 2 are 1(22)-1 and -1(22)1. Between the stacks are layers of the halogenated phenyl rings. These exhibit herringbone stacking. In each molecule, the carboxylic acid group forms a strong intramolecular O–H∙∙∙O hydrogen bond to the nearby carbonyl group. The hydroxyl group of each molecule forms a strong hydrogen bond to the carbonyl group of the carboxylic acid of the other molecule. These O–H∙∙∙O hydrogen bonds link the molecules into dimers, with a graph set R2,2(18) > a > c. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2022

The 2022 magneto-optics roadmap

Abstract Magneto-optical (MO) effects, viz. magnetically induced changes in light intensity or polarization upon reflection from or transmission through a magnetic sample, were discovered over a century and a half ago. Initially they played a crucially relevant role in unveiling the fundamentals of electromagnetism and quantum mechanics. A more broad-based relevance and wide-spread use of MO methods, however, remained quite limited until the 1960s due to a lack of suitable, reliable and easy-to-operate light sources. The advent of Laser technology and the availability of other novel light sources led to an enormous expansion of MO measurement techniques and applications that continues to this day (see section 1). The here-assembled roadmap article is intended to provide a meaningful survey over many of the most relevant recent developments, advances, and emerging research directions in a rather condensed form, so that readers can easily access a significant overview about this very dynamic research field. While light source technology and other experimental developments were crucial in the establishment of today’s magneto-optics, progress also relies on an ever-increasing theoretical understanding of MO effects from a quantum mechanical perspective (see section 2), as well as using electromagnetic theory and modelling approaches (see section 3) to enable quantitatively reliable predictions for ever more complex materials, metamaterials, and device geometries. The latest advances in established MO methodologies and especially the utilization of the MO Kerr effect (MOKE) are presented in sections 4 (MOKE spectroscopy), 5 (higher order MOKE effects), 6 (MOKE microscopy), 8 (high sensitivity MOKE), 9 (generalized MO ellipsometry), and 20 (Cotton–Mouton effect in two-dimensional materials). In addition, MO effects are now being investigated and utilized in spectral ranges, to which they originally seemed completely foreign, as those of synchrotron radiation x-rays (see section 14 on three-dimensional magnetic characterization and section 16 on light beams carrying orbital angular momentum) and, very recently, the terahertz (THz) regime (see section 18 on THz MOKE and section 19 on THz ellipsometry for electron paramagnetic resonance detection). Magneto-optics also demonstrates its strength in a unique way when combined with femtosecond laser pulses (see section 10 on ultrafast MOKE and section 15 on magneto-optics using x-ray free electron lasers), facilitating the very active field of time-resolved MO spectroscopy that enables investigations of phenomena like spin relaxation of non-equilibrium photoexcited carriers, transient modifications of ferromagnetic order, and photo-induced dynamic phase transitions, to name a few. Recent progress in nanoscience and nanotechnology, which is intimately linked to the achieved impressive ability to reliably fabricate materials and functional structures at the nanoscale, now enables the exploitation of strongly enhanced MO effects induced by light–matter interaction at the nanoscale (see section 12 on magnetoplasmonics and section 13 on MO metasurfaces). MO effects are also at the very heart of powerful magnetic characterization techniques like Brillouin light scattering and time-resolved pump-probe measurements for the study of spin waves (see section 7), their interactions with acoustic waves (see section 11), and ultra-sensitive magnetic field sensing applications based on nitrogen-vacancy centres in diamond (see section 17). Despite our best attempt to represent the field of magneto-optics accurately and do justice to all its novel developments and its diversity, the research area is so extensive and active that there remains great latitude in deciding what to include in an article of this sort, which in turn means that some areas might not be adequately represented here. However, we feel that the 20 sections that form this 2022 magneto-optics roadmap article, each written by experts in the field and addressing a specific subject on only two pages, provide an accurate snapshot of where this research field stands today. Correspondingly, it should act as a valuable reference point and guideline for emerging research directions in modern magneto-optics, as well as illustrate the directions this research field might take in the foreseeable future.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Observation of multiple nodal lines in SmSbTe

Having been a ground for various topological fermionic phases, the family of ZrSiS-type 111 materials has been under experimental and theoretical investigations. Within this family of materials, the subfamily LnSbTe (Ln = lanthanide elements) is gaining interest in recent times as the strong correlation effects and magnetism arising from the 4f electrons of the lanthanides can provide an important platform to study the link between topology, magnetism, and correlation. In this Letter, we report the systematic study of the electronic structure of SmSbTe—a member of the Ln SbTe subfamily—by utilizing angle-resolved photoemission spectroscopy in conjunction with first-principles calculations, transport, and magnetic measurements. Our experimental results identify multiple Dirac nodes forming the nodal lines along the Γ–X and Z–R directions in the bulk Brillouin zone (BZ) as predicted by our theoretical calculations. Additionally, a surface Dirac-like state is also observed at the X point of the surface BZ. Our study highlights SmSbTe as a promising candidate to understand the topological electronic structure of LnSbTe materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Migratory Strategy is a Key Factor Driving Interactions at Wind Energy Facilities in At-Risk North American Bats

Animal migration remains poorly understood for many organisms, impeding understanding of movement dynamics and limiting conservation actions. We develop a framework that scales from movements of individuals to the dynamics of continental migration using data synthesis of endogenous markers, which we apply to three North American bat species with unexplained high rates of fatalities at wind energy facilities. The two species experiencing the highest fatality rates exhibit a "pell-mell" migration strategy in which individuals move from summer habitats in multiple directions, both to higher and lower latitudes, during autumn. We link movements to higher latitudes to encounters with wind energy facilities and report that the timing of pell-mell migration strongly overlaps with that of fatalities at the continental level. These findings support the hypothesis that migration distance and strategy are drivers of increased interactions with wind energy facilities, highlighting the significance of understanding migratory strategy to achieve conservation goals.

08 HYDROGEN↗
DOE OSTI2024

Designer Fluorescent Redoxmer Self‐Reports Side Reactions in Nonaqueous Redox Flow Batteries

The state of health (SOH) is a critical measure for evaluating and predicting performance of redox flow batteries (RFBs). However, diagnosing SOH of RFBs is often challenging due to the overwhelming complexity of the electrolytes and associated electrochemical reactions. Designing active molecules or redoxmers that can autonomously exhibit property changes upon specific stimuli may provide a viable way for early diagnosis of SOH. Herein, a dimerized redoxmer, DGL-N-CH 3 , was designed and synthesized by linking blue-green fluorescent monomers through a diglycolamide linker. While DGL-N-CH 3 still maintains similar electrochemical behavior and strong fluorescence, we observe a unique side reaction when cycling DGL-N-CH 3 in H-cells, which leads to a side product, NHCH 3 -BzNSN via linker cleavage. Interestingly, NHCH 3 -BzNSN also emits fluorescence but at a longer wavelength. By taking advantage of this unique fluorescent change that corresponds to the growth of NHCH 3 -BzNSN, we successfully established the capacity decay of DGL-N-CH 3 H-cell cycling, exemplifying a proof-of-concept self-reporting redoxmer design towards in situ SOH monitoring.

25 ENERGY STORAGE↗
DOE OSTI2021

Biogeochemical control points of connectivity between a tidal creek and its floodplain

As global climates shift, coastal systems experience changes that alter function within the tidal zone. However, it remains uncertain how changes in tidal extent and magnitude will alter coastal biogeochemical cycling. We present high-frequency data collected in-situ along two transects across a tidal creek and floodplain to capture how changes in vertical and lateral connectivity act as biogeochemical control points. Using wavelet analysis, we identified short periods of strong vertical connectivity during spring tides followed by extended periods of floodplain isolation from tides. During a drier period, neap tides were linked to lateral creek-floodplain connectivity, detected by discharge of saline, oxygen-depleted groundwater to the creek on ebb tides. We estimate up to half of creek water throughout the tidal cycle was associated with floodplain drainage. From point measurements of carbon, nitrogen, and greenhouse gases along the creek-floodplain transect, we infer that lateral connectivity functions as a biogeochemically significant control point.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Zr 3 Mn 3 Sn 4 Ga: A new hetero-kagome bilayer antiferromagnet

Here, we report the magnetic and electrical transport properties of single-crystalline Zr 3 Mn 3 Sn 4 Ga, featuring two distinct kagome lattices: a non-magnetic breathing Zr 3 Sn 4 lattice and a magnetic intact Mn 3 Ga lattice. The material undergoes an antiferromagnetic phase transition at T N = 87 K, with neutron diffraction confirming commensurate ordering characterized by k = (1/3,1/3,0). Transport measurements show metallic behavior, a resistivity anomaly near T N , and 12% magnetoresistance at 2 K under 9 T. Deviations from the conventional second-order power law, along with negative magnetoresistance and nonlinear Hall slope variations near T N , suggest strong magneto-electronic coupling. Resonant photoemission spectroscopy identifies Zr 4d and Mn 3d orbitals as dominant contributors to the valence band, linking the material’s unique electronic properties to its kagome layers. Zr 3 Mn 3 Sn 4 Ga offers a valuable platform to study interactions between magnetism and topological electronic bands in hetero-kagome systems using the co- existence of magnetic and non-magnetic kagome layers and its tunable electronic structure.

Crystal structure↗
DOE OSTI2023

Spin skyrmion gaps as signatures of strong-coupling insulators in magic-angle twisted bilayer graphene

Abstract The flat electronic bands in magic-angle twisted bilayer graphene (MATBG) host a variety of correlated insulating ground states, many of which are predicted to support charged excitations with topologically non-trivial spin and/or valley skyrmion textures. However, it has remained challenging to experimentally address their ground state order and excitations, both because some of the proposed states do not couple directly to experimental probes, and because they are highly sensitive to spatial inhomogeneities in real samples. Here, using a scanning single-electron transistor, we observe thermodynamic gaps at even integer moiré filling factors at low magnetic fields. We find evidence of a field-tuned crossover from charged spin skyrmions to bare particle-like excitations, suggesting that the underlying ground state belongs to the manifold of strong-coupling insulators. From the spatial dependence of these states and the chemical potential variation within the flat bands, we infer a link between the stability of the correlated ground states and local twist angle and strain. Our work advances the microscopic understanding of the correlated insulators in MATBG and their unconventional excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Causal machine learning uncovers conditions for convective intensification driven by organic and sulfate aerosols

Aerosols are often hypothesized to invigorate deep convective clouds (DCCs), but observational evidence remains limited and inconclusive. Clarifying this hypothesis is critical for regions vulnerable to thunderstorms and flooding, particularly highly polluted coastal cities. Leveraging a novel causal discovery–inference pipeline and high-resolution observations near Houston, TX, we identify multiple causal pathways among aerosols (mostly organic and sulfate), DCCs, and meteorological factors. However, a direct causal link from aerosols to DCCs is found to be uncommon, occurring in less than 35% of analyzed scenarios, and is characterized by strong conditionality and nonlinearity. When aerosol impacts on DCCs do occur, they can be substantial, enhancing DCC core heights by approximately 1.7 km, with 92% of this effect concentrated in warmer-phase cloud regions. Notably, the presence of sea breezes and the inclusion of all measured aerosol particles each enhance DCCs in over 95% of aerosol-sensitive cases.

54 ENVIRONMENTAL SCIENCES↗