Comparative Analysis and Speciation of Sulfur K, L-edge X-ray Absorption Spectroscopy
Bibliographic record
Abstract
Sulfur plays a critical role in the evolution of many common biological aspects of life as a key component of protein and enzyme function. It also plays a significant role in the contemporary demand for energy resources in modern society, with associated industrial and commercial applications. Sulfur composes a complex variety of organic and inorganic compounds and are naturally occurring in many hydrocarbon bearing reservoirs and other mineral resources. These energy and mineral resources are critical for industrial and technological development. Some of these sulfur compounds may have critical impacts on materials used in the transportation and refining of hydrocarbon products. These compounds also impact steam generated power infrastructure such as those found in pressurized water reactors. The characterization of sulfur, which has a formal oxidation state ranging from -2 to +6, using K-edge X-ray absorption spectroscopy is particularly useful for determining oxidized species. There are, however, limitations on the ability to visually resolve spectra for reduced and mixed sulfur compounds using the K-edge that may be better resolved using the L-edge due in part to an increase in photon resolution and chemical sensitivity at lower energy. A qualitative and quantitative study was completed on a broad spectrum of model organic and inorganic Sulfur (S) compounds using high resolution (≤0.1 eV) S K, L-edge X-ray absorption spectroscopy (XAS). All the recorded spectra for both K, L-edges were measured in fluorescence yield (TFY) and total electron yield (TEY) and only TEY were considered for the purpose of this study. A direct qualitative approach was used to directly compare the spectroscopic uniqueness and usefulness between the two absorption edges. While using S L-edge XAS may provide a more effective way to visually speciate some chemical forms of sulfur, a combined approach utilizing both Sulfur L, K-edge XAS provides a full spectrum solution to chemical speciation.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".