# Formula: molar amount of halogen at the lower XPS binding energy

Parent: — · class: spectroscopy and calibration · names as written: molar amount of fluorine at the lower binding energy; molar amount of lower-BE iodine

2 instances in 2 papers (of 207 kept papers). Each section heading ends with the paper's category / subcategory. Generated by tools/build_evidence.py from registry/formulas.csv; do not edit.

## 2019 Que · E4 · molar amount of fluorine at the lower binding energy · Dissolution / A. Release mechanism and LoC

[2019-que-ledipasvir-copovidone-asd-loc-interactions](../../../cards/2019-que-ledipasvir-copovidone-asd-loc-interactions/paper.html) · Dissolution / A. Release mechanism and LoC

- expression: n_F = (100 mg × DL / 889 g/mol) × 2 × f_low; example: 100 mg × 10% / 889 g/mol × 2 × 73.4% = 0.165 mmol
- symbols and units: 100 mg compact; 889 g/mol ledipasvir MW; 2 F atoms per molecule; f_low share of F 1s at 684.0 eV (73.4% at 10% DL)
- assumptions stated: the whole compact composition is used
- used for: R25
- status: printed, checked against page image · recomputed: mismatch: printed 0.165 mmol, recomputed 0.0165 mmol (10 mg / 889 g/mol = 0.01125 mmol × 2 × 0.734); Fig. 16 plots ≈0.0165
- locator: SI p.8

## 2021 Que · E4 · molar amount of lower-BE iodine · Dissolution / A. Release mechanism and LoC

[2021-que-drug-polymer-interactions-loc-copovidone-asd](../../../cards/2021-que-drug-polymer-interactions-loc-copovidone-asd/paper.html) · Dissolution / A. Release mechanism and LoC

- expression: molar amount of I atoms with lower BE in 100 mg ASD, calculated from the atomic percentage of lower-BE I atoms (Table 1S) as a function of DL (stated in words; formula not printed)
- symbols and units: mmol per 100 mg ASD
- assumptions stated: XPS quantification assumes a homogeneous mixture within the ~10 nm information depth
- used for: R12
- status: printed in words · recomputed: reproduces (TIPP 10% DL: 10 mg / 821.91 g/mol × 4 I per molecule × 0.559 = 0.0272 mmol vs Fig. 3 ≈0.027; Me-TIPP 20% DL: 20 / 849.97 × 4 × 0.533 = 0.0502 vs ≈0.050; 4 I per molecule from Fig. 1 structures)
- locator: Section 4.2.2, p.3501; Fig. 3