“…All the computational STM images generated in this work are made available on the JARVIS-STM website (https://jarvis.nist.gov/jarvisstm). We find excellent qualitative agreement between the computational and experimental STM images for selected materials. …”
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“…Identification of bioactive chemical moieties was performed by FT-IR analysis, GC-MS/MS equipped with NIST library, (1)H and (13)C NMR spectral studies. …”
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“…Here, we investigate the error in the enthalpy of formation for 1676 gaseous species using two different DFT levels of theory and the ‘ground truth values’ obtained from the NIST database. We featurize molecules using graph theory. …”
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“…Finally, the method was applied to cocoa-based samples and compared to the AOAC 2020.05 analytical protocol, supporting the use of NIST 8403 as reference material for HPLC-MS(2) analysis.…”
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“…Moreover, the randomness properties of proposed method have also been evaluated through several standard statistical tests as recommended by the National Institute of Standards and Technology (NIST). Thus, the results show that the proposed method, not only retains effective randomness properties but it also contains, good avalanche effect (up to 62.32%) which is significantly improved than others. …”
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“…METHODS: An International Society of Magnetic Resonance in Medicine/National Institute of Standards and Technology (ISMRM/NIST) System Phantom was scanned monthly on a 3T MRI scanner for 1 year. …”
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“…The obtained results showed that boron isotope ratio measurements led to a satisfactory degree of accuracy and precision (measured value, n = 28, (11)B/(10)B of NIST SRM 951a equal to 4.04343 ± 0.00178, (u = 2s) with a certified value of 4.04362 ± 0.00136 (u = 2s). …”
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“…And the dynamic analysis of the phase diagram and bifurcation diagram of the five-dimensional three-leaf chaotic system selected in this paper is carried out, and NIST is used to test the randomness of its chaotic sequence. …”
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“…Under the selected conditions, volatile compounds in the technical glycol precursor sample were identified according to the match between the experimental MS spectra and first dimensional retention indices ((1)I) with that from the NIST2014 database and literature. An hour analysis with GC × GC resulted in a total peak capacity of 798, number of separated peaks of 61 and average MS match score of 887 ± 35; meanwhile, the corresponding numbers were improved to be 9198, 107 and 898 ± 24, respectively, with the 25 h comprehensive H/C analysis.…”
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“…A multi-collector system combined with peak-jumping by magnetic field was adjusted to detect REEs and silicon-30 for calibration. Based on results of NIST SRM610 glass, sensitivities of REEs vary from 3 cps/ppm/nA of Lu to 13 cps/ppm/nA of Eu. …”
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“…We report repeatable and robust quantitation of 900 lipid species measured in NIST-SRM-1950 plasma, with over 700 lipids achieving inter-assay variability below 25%. …”
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“…The eluates were identified by matching the mass fragment patents to the National Institute of Standards and Technology (NIST) 08 database. The quantitative analysis showed that the major components of lemon verbena are geranial (26.9%) and neral (23.1%); those of sweet marjoram are γ-terpinene (18.5%), thymol methyl ether (15.5%), and terpinen-4-ol (12.0%); those of clove basil are eugenol (73.6%), and β-(Z)-ocimene (15.4%); those of patchouli are carvacrol (47.5%) and p-cymene (15.2%); those of rosemary are α-pinene (54.8%) and 1,8-cineole (22.2%); those of tea tree are terpinen-4-ol (33.0%) and 1,8-cineole (27.7%); and those of rose geranium are citronellol (28.9%) and 6,9-guaiadiene (20.1%). …”
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“…We report on the development of a field-flow fractionation multiangle light-scattering (FFF-MALS) method for such characterization. Here, we introduced NIST-traceable particle-size standards and BSA as a model protein to verify the precision of the size and purity analysis of the OMVs. …”
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“…Moreover, we apply the proposed equilibrium model to screen and identify promising sorbents from the large NIST/ARPA-E database; we do this for three different (ultra)diluted separation processes: direct air capture, y(CO(2)) = 0.1%, and y(CO(2)) = 1.0%. …”
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“…One such standard, the NISTmAb RM 8621 based on the antibody motavizumab, has been developed by the National Institute of Standards and Technologies (NIST) in the US. Here, we present the resonance assignment of the single chain variable fragment, NISTmAb-scFv, that was engineered by linking the variable domains of the heavy and light chains of the NISTmAb. …”
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“…In this paper, we study NIST lightweight 3rd round candidate [Formula: see text] . …”
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“…The security analysis was performed, including statistical attack analysis and NIST analysis. The analysis results show that the proposed system achieves high-security standards than existing schemes.…”
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“…Moreover, the randomness is verified with the tests of the National Institute of Standards and Technology (NIST 800-22). Based on the security results obtained, the proposed PRNG–EHSHM can be implemented in embedded cryptographic applications based on chaos.…”
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“…The methods were validated by analyzing certified reference materials (CRMs) G-2 and RGM-1 from USGS and NIST standard reference material (SRM) of sodalime glass (SRM 610). …”
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“…The first of our two models, FormulaNet, produces a probability distribution over chemical subformulae to achieve a state-of-the-art forward prediction accuracy of 92.9% weighted (Stein) dot product and database lookup recall (within top 10 ranked spectra) of 98.0% when evaluated against the NIST 2017 Mass Spectral Library. The second model, SubsetNet, produces a probability distribution over vertex subsets of the original molecule graph to achieve similar forward prediction accuracy and superior generalization in the high-resolution, low-data regime. …”
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