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Board on Earth Sciences and Resources and Its Activities

The National Academies’ Board on Earth Sciences and Resources (BESR) and its standing committees provide an ongoing forum for advancing the understanding and communication of Earth sciences and resource topics, including emerging topics and innovative techniques. BESR activities help to provide evidence-based information to members of the executive and legislative branches of the federal government, the private sector, states and tribes, academia, non-governmental organizations, and the public to support decision-making. BESR and its standing Committee on Solid Earth Geophysics (COSEG), also supported by this award, fulfill this role through development and administration of consensus studies, as well as workshops and other convening activities related to the Earth sciences; overseeing selected activities of the Board’s standing committees, such as disciplinary meetings and webinars; and communicating, sharing information, and providing opportunities for interaction and exchange among technical and non-technical stakeholders. The core support received from DOE helps BESR and COSEG maintain a central body of volunteer experts and National Academies staff who can respond to pressing needs and requests from federal sponsors and other members of the Earth science community, to maintain the health and relevance of the Earth sciences discipline, and to provide the Earth science community with a privileged interface to the government to support scientific and engineering advances and decision making related to Earth sciences and engineering. Initiation and oversight of Earth science activities at the National Academies is an enduring function of the BESR and COSG that helps to ensure development and completion of projects and activities that are responsive to the needs of sponsors and the broader Earth science and research enterprise.

58 GEOSCIENCES↗

Engineered Barrier System Research Activities at SNL: FY25 Report

This report describes research and development (R&D) activities conducted at Sandia National Laboratories (SNL) during Fiscal Year 2025 (FY25) specifically related to the Engineered Barrier System (EBS) Properties & Processes Work Package in the Spent Fuel and High-Level Waste Disposition (SFHLWD) Campaign supported by the United States (U.S.) Department of Energy (DOE). SNL activities focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. The team represented in this report consists of individuals from SNL, Argonne National Laboratory (Advanced Photon Source), and Vanderbilt University. The activities represented in this report include development of anion sorbent materials for buffer formulations, properties of pure bentonite and bentonite mixtures, and characterization of cement interfaces relevant to the EBS. The SNL EBS activities also leverage interactions with EBS teams from other national laboratories, and international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Early Inference of Nuclear Technology-Directed Research Activities of Authors from Scientific Publications

Nuclear research articles can provide information about early nuclear proliferation indicators such as influential research entities and technology capability levels of a country, but detection of nuclear activities typically occurs after they have started. We investigate the extent to which nuclear research articles can be used to infer whether a research entity will acquire or develop a nuclear technology before it happens. Early detection of nuclear proliferation or technology development indicators from data is challenging due to partial observability, sparse and unlabeled information, and confounding signals from multiple concurrent activities. This paper presents the early detection problem as a sequential decision-making, goal inference problem, where the objective is to characterize and predict an individual’s, organization’s, or a country’s intent (unobserved goal-directed behavior) towards developing a nuclear capability from partially observed sequences of their research publications, using inverse reinforcement learning and Bayesian goal inference methods. A computational framework is presented, and its application demonstrated using 29,196 Scopus records for a case study related to a civil nuclear capability. The case study results serve as a proof-of-concept demonstration for inference of technology-directed research activity of authors who publish in the nuclear domain. The inference method, combined with advanced computing, may be used to assess and monitor activities pertaining to early developmental stages of a nuclear technology or capability, which in turn can help to identify and prioritize activities with nuclear proliferation potential for further investigation.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

The HHV-6B U20 glycoprotein binds ULBP1, masking it from recognition by NKG2D and interfering with natural killer cell activation

Human Herpesvirus 6B (HHV-6B) impedes host immune responses by downregulating class I MHC molecules (MHC-I), hindering antigen presentation to CD8+ T cells. Downregulation of MHC-I disengages inhibitory receptors on natural killer (NK) cells, resulting in activation and killing of the target cell if NK cell activating receptors such as NKG2D have engaged stress ligands upregulated on the target cells. Previous work has shown that HHV-6B downregulates three MHC-like stress ligands MICB, ULBP1, and ULBP3, which are recognized by NKG2D. The U20 glycoprotein of the related virus HHV-6A has been implicated in the downregulation of ULBP1, but the precise mechanism remains undetermined. We set out to investigate the role of HHV-6B U20 in modulating NK cell activity. We used HHV-6B U20 expressed as a recombinant protein or transduced into target cells, as well as HHV-6B infection, to investigate binding interactions with NK cell ligands and receptors and to assess effects on NK cell activation. Small-angle X-ray scattering was used to align molecular models derived from machine-learning approaches. We demonstrate that U20 binds directly to ULBP1 with sub-micromolar affinity. Transduction of U20 decreases NKG2D binding to ULBP1 at the cell surface but does not decrease ULBP1 protein levels, either at the cell surface or in toto. HHV-6B infection and soluble U20 have the same effect. Transduction of U20 blocks NK cell activation in response to cell-surface ULBP1. Structural modeling of the U20 – ULBP1 complex indicates some similarities to the m152-RAE1γ complex.

60 APPLIED LIFE SCIENCES↗

Editorial: Structure and mechanism of microbial membrane active transporters

Membrane active transporters play essential roles in microbial physiology. They couple energy transduction to conformational changes that drive translocation of nutrients, substrates and ions, as well as molecular communication. The structure and function of microbial membrane active transporters are highly diverse. Typical examples include the primary active transporters in the ATP-binding cassette (ABC) superfamily (Thomas and Tampé, 2020; Davidson et al., 2008; Locher et al., 2002), the secondary active transporters in the Major Facilitator Superfamily (MFS) (Drew et al., 2021; Kaback and Guan, 2019), and the ligand-gated porins in the TonB-dependent transporter (TBDT) family (Klebba et al., 2021). As structural, proteogenomic, and computational methods advance, active transporters are increasingly recognized as dynamic molecular machines whose mechanisms can now be visualized and modeled with remarkable precision, building on decades of biochemical and biophysical discovery that established the foundations of this field. The transporter studies recruited in this Research Topic provide us with new insights into the field including structure-function of sugar transporters in yeast, structural prediction and classification of ABC complexes in Bacillus subtilis, Type VI Secretion System (T6SS) in Bacteroides fragilis, amino acids uptake in Escherichia coli and bacterial spore germination.

mechanism↗

Mercury-Tolerant Ensifer medicae Strains Display High Mercuric Reductase Activity and a Protective Effect on Nitrogen Fixation in Medicago truncatula Nodules Under Mercury Stress

Mercury (Hg) is extremely toxic for all living organisms. Hg-tolerant symbiotic rhizobia have the potential to increase legume tolerance, and to our knowledge, the mechanisms underlying Hg tolerance in rhizobia have not been investigated to date. Rhizobial strains of Ensifer medicae, Rhizobium leguminosarum bv. trifolii and Bradyrhizobium canariense previously isolated from severely Hg-contaminated soils showed different levels of Hg tolerance. The ability of the strains to reduce mercury Hg 2+ to Hg o , a volatile and less toxic form of mercury, was assessed using a Hg volatilization assay. In general, tolerant strains displayed high mercuric reductase activity, which appeared to be inducible in some strains when grown at a sub-lethal HgCl 2 concentration. A strong correlation between Hg tolerance and mercuric reductase activity was observed for E. medicae strains, whereas this was not the case for the B. canariense strains, suggesting that additional Hg tolerance mechanisms could be playing a role in B. canariense. Transcript abundance from merA, the gene that encodes mercuric reductase, was quantified in tolerant and sensitive E. medicae and R. leguminosarum strains. Tolerant strains presented higher merA expression than sensitive ones, and an increase in transcript abundance was observed for some strains when bacteria were grown in the presence of a sub-lethal HgCl 2 concentration. These results suggest a regulation of mercuric reductase in rhizobia. Expression of merA genes and mercuric reductase activity were confirmed in Medicago truncatula nodules formed by a sensitive or a tolerant E. medicae strain. Transcript accumulation in nodules formed by the tolerant strain increased when Hg stress was applied, while a significant decrease in expression occurred upon stress application in nodules formed by the Hg-sensitive strain. The effect of Hg stress on nitrogen fixation was evaluated, and in our experimental conditions, nitrogenase activity was not affected in nodules formed by the tolerant strain, while a significant decrease in activity was observed in nodules elicited by the Hg-sensitive bacteria. Our results suggest that the combination of tolerant legumes with tolerant rhizobia constitutes a potentially powerful tool in the bioremediation of Hg-contaminated soils.

59 BASIC BIOLOGICAL SCIENCES↗

GRIK phosphorylates and activates KIN10 which also promotes its degradation

The sensor kinase Sucrose Non-fermenting-1-Related Kinase 1 (SnRK1) plays a central role in energy and metabolic homeostasis. KIN10 is a major catalytic (a) kinase subunit of SnRK1 regulated by transcription, posttranslational modification, targeted protein degradation, and its subcellular localization. Geminivirus Rep Interacting Kinase 1 and 2 (GRIK1 and 2) are immediate upstream kinases of KIN10. In the transient protein expression assays carried out in Nicotiana benthamiana (N. benthamiana) leaves, GRIK1 not only phosphorylates KIN10 but also simultaneously initiates its degradation. Posttranslational GRIK-mediated KIN10 degradation is dependent on both GRIK kinase activity and phosphorylation of the KIN10 T-loop. KIN10 proteins are significantly enriched in the grik1-1 grik2-1 double mutant, consistent with the transient assays in N. benthamiana. Interestingly. Among the enriched KIN10 proteins from grik1-1 grik2-1, is a longer isoform, putatively derived by alternative splicing which is barely detectable in wild-type plants. The reduced stability of KIN10 upon phosphorylation and activation by GRIK represents a mechanism that enables the KIN10 activity to be rapidly reduced when the levels of intracellular sugar/energy are restored to their set point, representing an important homeostatic control that prevents a metabolic overreaction to low sugar conditions. Since GRIKs are activating kinases of KIN10, KIN10s in the grik1 grik2 double null mutant background remain un-phosphorylated, with only their basal level of activity, are more stable, and therefore increase in abundance, which also explains the longer isoform KIN10L which is a minor isoform in wild type is clearly detected in the grik1 grik2 double mutant.

59 BASIC BIOLOGICAL SCIENCES↗

Antifungal and Phytotoxic Activities of Isolated Compounds from Helietta parvifolia Stems

The identification of natural and environmentally friendly pesticides is a key area of interest for the agrochemical industry, with many potentially active compounds being sourced from numerous plant species. In this study, we report the bioassay-guided isolation and identification of phytotoxic and antifungal compounds from the ethyl acetate extract of Helietta parvifolia stems. We identified eight compounds, consisting of two coumarins and six alkaloids. Among these, a new alkaloid, 2-hydroxy-3,6,7-trimethoxyquinoline-4-carbaldehyde (6), was elucidated, along with seven known compounds. The phytotoxicity of purified compounds was evaluated, and chalepin (4) was active against Agrostis stolonifera at 1 mM with 50% inhibition of seed germination and it reduced Lemna pausicotata (duckweed) growth by 50% (IC50) at 168 μM. Additionally, we evaluated the antifungal activity against the fungal plant pathogen Colletotrichum fragariae using a thin-layer chromatography bioautography assay, which revealed that three isolated furoquinoline alkaloids (flindersiamine (3), kokusagenine (7), and maculine (8)) among the isolated compounds had the strongest inhibitory effects on the growth of C. fragariae at all tested concentrations. Our results indicate that these active natural compounds, i.e., (3), (4), (7), and (8), could be scaffolds for the production of more active pesticides with better physicochemical properties.

59 BASIC BIOLOGICAL SCIENCES↗

Astrocyte FABP7 Modulates Seizure Activity-Dependent Protein Expression in Mouse Brain

Background/Objectives: Patients with epilepsy commonly experience patterns of seizures that change with sleep/wake behavior or diurnal rhythms. The cellular and molecular mechanisms that underlie these patterns in seizure activity are not well understood but may involve non-neuronal cells, such as astrocytes. Our previous studies show the critical importance of one specific astrocyte factor, the brain-type fatty acid binding protein Fabp7, in the regulation of time-of-day-dependent electroshock seizure threshold and neural activity-dependent gene expression in mice. Here, we examined whether Fabp7 influences differential seizure activity-dependent protein expression, by comparing Fabp7 knockout (KO) to wild-type (WT) mice under control conditions and after reaching the maximal electroshock seizure threshold (MEST). Methods: We analyzed the proteome in cortical–hippocampal extracts from MEST and SHAM groups of WT and KO mice using mass spectrometry (MS), followed by Gene Ontology (GO) and pathway analyses. GO and pathway analyses of all groups revealed a diverse set of up- and downregulated differentially expressed proteins (DEPs). Results: We identified 65 significant DEPs in the comparison of KO SHAM versus WT SHAM; 33 proteins were upregulated and 32 were downregulated. We found downregulation in mitochondrial-associated proteins in WT MEST compared to WT SHAM controls, including Slc1a4, Slc25a27, Cox7a2, Cox8a, Micos10, and Atp5mk. Several upregulated DEPs in the KO SHAM versus WT SHAM comparison were associated with the 20S proteasomal subunit, suggesting proteasomal activity is elevated in the absence of Fabp7 expression. We also observed 92 DEPs significantly altered in the KO MEST versus WT MEST, with 49 proteins upregulated and 43 downregulated. Conclusions: Together, these data suggest that the astrocyte Fabp7 regulation of time-of-day-mediated neural excitability is modulated by multiple cellular mechanisms, which include proteasomal pathways, independent of its role in activity-dependent gene expression.

Neural Excitability↗

Chemical Characterization and Antimicrobial Activity of Green Propolis from the Brazilian Caatinga Biome

Green propolis, particularly from the unique flora of the Brazilian Caatinga biome, has gained significant interest due to its diverse chemical composition and biological activities. This study focuses on the chemical characterization and antimicrobial evaluation of Caatinga green propolis. Twelve compounds were isolated through different chromatographic techniques, including flavanones (naringenin, 7-O-methyleriodictyol, sakuranetin), flavones (hispidulin, cirsimaritin), flavonols (quercetin, quercetin-3-methyl ether, kaempferol, 6-methoxykaempferol, viscosine, penduletin), and one chalcone (kukulkanin B). Using liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (LC-QToF-MS), a total of 55 compounds excluding reference standards were tentatively identified, which include flavonoids, phenolic acids derivatives, and alkaloids, with flavonols, flavanones, and flavones being predominant. Antimicrobial testing against pathogens revealed that the crude extract exhibited low inhibitory activity, against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Enterococcus faecium (VRE) (IC50: 148.4 and 120.98 µg/mL, respectively). Although the isolated compounds showed limited individual activity, a fraction containing sakuranetin and penduletin (Fraction 8) exhibited moderated activity against Cryptococcus neoformans (IC50: 47.86 µg/mL), while a fraction containing quercetin and hispidulin showed moderated activity against VRE (IC50: 16.99 µg/mL). These findings highlight the potential application of Caatinga green propolis as an antimicrobial agent, particularly against resistant bacterial strains, and underscore the importance of synergistic interactions between compounds in enhancing biological effects.

Aldana-Mejía, Jennyfer A. (ORCID:0000000307361899)↗

Long-term Photometry and Orbital Period Change of the W UMa–type Binary v0599 Aur: Evidence of about 11 yr Magnetic-activity Cycle

Combining all available photometric data from various surveys and literature with our observations, we present 10 sets of light curves for the eclipsing binary V0599 Aur covering a timescale of 20 yr. During the last two decades, the O’Connell effect continuously varied and went through at least two flips between positive and negative effects. The photometric solutions from our two sets of multicolored light curves show that V0599 Aur is a W-type shallow contact binary with an active spot on the secondary. Its absolute parameters are determined by combining the Gaia distance with the photometric solutions. The period investigation reveals a secular decrease and a cyclic variation in its orbital period. The former mainly originates from the mass transfer from the more massive secondary to the less massive primary. The latter can be preferentially explained as a result of cyclic magnetic activity of the secondary, with three observational supports: (1) the existence and evolution of an active spot suggested by the long-term photometry, (2) periodic variation in both the O’Connell effect and relative luminosity, and (3) weak correlations between O’Connell effect/relative luminosity changes and cyclic period variation. Together with the cyclic period variation and its theoretical reasonability by Applegate’s mechanism, we suggest that the secondary of V0599 Aur is a solar-type magnetic-activity star with an approximately 11 yr active cycle. Furthermore, by combining the secular period decrease with the Roche-lobe model, we infer that V0599 Aur is evolving from the marginal contact state controlled by thermal relaxation oscillation theory to the overcontact state.

79 ASTRONOMY AND ASTROPHYSICS↗

Technical note: AQMEII4 Activity 1: evaluation of wet and dry deposition schemes as an integral part of regional-scale air quality models

We present in this technical note the research protocol for phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This research initiative is divided into two activities, collectively having three goals: (i) to define the current state of the science with respect to representations of wet and especially dry deposition in regional models, (ii) to quantify the extent to which different dry deposition parameterizations influence retrospective air pollutant concentration and flux predictions, and (iii) to identify, through the use of a common set of detailed diagnostics, sensitivity simulations, model evaluation, and reduction of input uncertainty, the specific causes for the current range of these predictions. Activity 1 is dedicated to the diagnostic evaluation of wet and dry deposition processes in regional air quality models (described in this paper), and Activity 2 to the evaluation of dry deposition point models against ozone flux measurements at multiple towers with multiyear observations (to be described in future submissions as part of the special issue on AQMEII4). The scope of this paper is to present the scientific protocols for Activity 1, as well as to summarize the technical information associated with the different dry deposition approaches used by the participating research groups of AQMEII4. In addition to describing all common aspects and data used for this multi-model evaluation activity, most importantly, we present the strategy devised to allow a common process-level comparison of dry deposition obtained from models using sometimes very different dry deposition schemes. The strategy is based on adding detailed diagnostics to the algorithms used in the dry deposition modules of existing regional air quality models, in particular archiving diagnostics specific to land use–land cover (LULC) and creating standardized LULC categories to facilitate cross-comparison of LULC-specific dry deposition parameters and processes, as well as archiving effective conductance and effective flux as means for comparing the relative influence of different pathways towards the net or total dry deposition. This new approach, along with an analysis of precipitation and wet deposition fields, will provide an unprecedented process-oriented comparison of deposition in regional air quality models. Examples of how specific dry deposition schemes used in participating models have been reduced to the common set of comparable diagnostics defined for AQMEII4 are also presented.

54 ENVIRONMENTAL SCIENCES↗

PAMTRA 1.0: the Passive and Active Microwave radiative TRAnsfer tool for simulating radiometer and radar measurements of the cloudy atmosphere

Forward models are a key tool to generate synthetic observations given knowledge of the atmospheric state. In this way, they are an integral part of inversion algorithms that aim to retrieve geophysical variables from observations or in data assimilation. Their application for the exploitation of the full information content of remote sensing observations becomes increasingly important when these are used to evaluate the performance of cloud-resolving models (CRMs). Herein, CRM profiles or fields provide the input to the forward model whose simulation results are subsequently compared to the observations. This paper introduces the freely available comprehensive microwave forward model PAMTRA (Passive and Active Microwave TRAnsfer), demonstrates its capabilities to simulate passive and active measurements across the microwave spectral region for upward- and downward-looking geometries, and illustrates how the forward simulations can be used to evaluate CRMs and to interpret measurements to improve our understanding of cloud processes. PAMTRA is unique as it treats passive and active radiative transfer (RT) in a consistent way with the passive forward model providing upwelling and downwelling polarized brightness temperatures and radiances for arbitrary observation angles. The active part is capable of simulating the full radar Doppler spectrum and its moments. PAMTRA is designed to be flexible with respect to instrument specifications and interfaces to many different formats of input and output, especially CRMs, spanning the range from bin-resolved microphysical output to one- and two-moment schemes, and to in situ measured hydrometeor properties. A specific highlight is the incorporation of the self-similar Rayleigh–Gans approximation (SSRGA) for both active and passive applications, which becomes especially important for the investigation of frozen hydrometeors.

54 ENVIRONMENTAL SCIENCES↗

Simple biochemical features underlie transcriptional activation domain diversity and dynamic, fuzzy binding to Mediator

Gene activator proteins comprise distinct DNA-binding and transcriptional activation domains (ADs). Because few ADs have been described, we tested domains tiling all yeast transcription factors for activation in vivo and identified 150 ADs. By mRNA display, we showed that 73% of ADs bound the Med15 subunit of Mediator, and that binding strength was correlated with activation. AD-Mediator interaction in vitro was unaffected by a large excess of free activator protein, pointing to a dynamic mechanism of interaction. Structural modeling showed that ADs interact with Med15 without shape complementarity (‘fuzzy’ binding). ADs shared no sequence motifs, but mutagenesis revealed biochemical and structural constraints. Finally, a neural network trained on AD sequences accurately predicted ADs in human proteins and in other yeast proteins, including chromosomal proteins and chromatin remodeling complexes. These findings solve the longstanding enigma of AD structure and function and provide a rationale for their role in biology.

60 APPLIED LIFE SCIENCES↗

Gating interactions steer loop conformational changes in the active site of the L1 metallo-β-lactamase

β-Lactam antibiotics are the most important and widely used antibacterial agents across the world. However, the widespread dissemination of β-lactamases among pathogenic bacteria limits the efficacy of β-lactam antibiotics. This has created a major public health crisis. The use of β-lactamase inhibitors has proven useful in restoring the activity of β-lactam antibiotics, yet, effective clinically approved inhibitors against class B metallo-β-lactamases are not available. L1, a class B3 enzyme expressed by Stenotrophomonas maltophilia , is a significant contributor to the β-lactam resistance displayed by this opportunistic pathogen. Structurally, L1 is a tetramer with two elongated loops, α3-β7 and β12-α5, present around the active site of each monomer. Residues in these two loops influence substrate/inhibitor binding. To study how the conformational changes of the elongated loops affect the active site in each monomer, enhanced sampling molecular dynamics simulations were performed, Markov State Models were built, and convolutional variational autoencoder-based deep learning was applied. The key identified residues (D150a, H151, P225, Y227, and R236) were mutated and the activity of the generated L1 variants was evaluated in cell-based experiments. The results demonstrate that there are extremely significant gating interactions between α3-β7 and β12-α5 loops. Taken together, the gating interactions with the conformational changes of the key residues play an important role in the structural remodeling of the active site. These observations offer insights into the potential for novel drug development exploiting these gating interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Active controls - Changing the rules of structural design.

Approaches making use of aerodynamic surfaces in combination with advanced flight computers, and electrohydraulic systems could be used to improve economics of commercial aircraft operation, smooth the passenger's ride, reduce terminal-area noise, and ease terminal-area congestion. This emerging technology is becoming known as active controls technology. Maximum benefits from active controls can come only by considering controls early in the design cycle. Active controls can save weight by reducing the structural strength necessary. Some of the technical benefits of active controls would increase return on investment and raise profits. Details of a proposed active controls research program are discussed.

Hood, R. V.↗

Applications of activation analysis to geochemical, meteoritic and lunar studies.

The application of activation analysis techniques to the analysis of cosmological materials, i.e., terrestrial, tektitic, meteoritic, and lunar matter, is reviewed. Elemental determinations can be made by instrumental fast-neutron and thermal-neutron activation analysis, photonuclear and charged-particle activation analysis, and by radiochemical neutron activation analysis. Partition-coefficient methods, autoradiography studies, gamma-gamma coincidence counting, and age determination by neutron activation are discussed. Attention is given to K-Ar and I-Xe dating of meteorites.

Showalter, D. L.↗

Development and demonstration of a flutter-suppression system using active controls

The application of active control technology to suppress flutter was demonstrated successfully in the transonic dynamics tunnel with a delta-wing model. The model was a simplified version of a proposed supersonic transport wing design. An active flutter suppression method based on an aerodynamic energy criterion was verified by using three different control laws. The first two control laws utilized both leading-edge and trailing-edge active control surfaces, whereas the third control law required only a single trailing-edge active control surface. At a Mach number of 0.9 the experimental results demonstrated increases in the flutter dynamic pressure from 12.5 percent to 30 percent with active controls. Analytical methods were developed to predict both open-loop and closed-loop stability, and the results agreed reasonably well with the experimental results.

Sandford, M. C.↗