Predicting biophysical properties of small molecules from chromatographic measurements and the solvation parameter model

CF Poole, SN Atapattu - Journal of Chromatography A, 2024 - Elsevier
Biopartitioning processes are challenging to study and often require the sacrifice of multiple
animals. Therefore, it is more practical and cost-effective to correlate these processes with …

Non-target scanning of organics from cooking emissions using comprehensive two-dimensional gas chromatography-mass spectrometer (GC× GC-MS)

K Song, S Guo, Y Gong, D Lv, Z Wan, Y Zhang, Z Fu… - Applied …, 2023 - Elsevier
Cooking emission is a major source influencing human health and air quality. To elucidate
the emission pattern of cooking fumes, gaseous and particulate organics were sampled by …

[HTML][HTML] Addressing new chemicals of emerging concern (CECs) in an indoor office

K Song, X Yang, Y Wang, Z Wan, J Wang, Y Wen… - Environment …, 2023 - Elsevier
Indoor pollutants change over time and place. Exposure to hazardous organics is
associated with adverse health effects. This work sampled gaseous organics by Tenax TA …

Novel Models for Accurate Estimation of Air–Blood Partitioning: Applications to Individual Compounds and Complex Mixtures of Neutral Organic Compounds

A Aakash, R Kulsoom, S Khan… - Journal of Chemical …, 2023 - ACS Publications
The air-blood partition coefficient (K ab) is extensively employed in human health risk
assessment for chemical exposure. However, current K ab estimation approaches either …

Streamlining Linear Free Energy Relationships of Proteins through Dimensionality Analysis and Linear Modeling

MI Khawar, M Arshad, EP Achterberg… - Journal of Chemical …, 2024 - ACS Publications
Linear free energy relationships (LFERs) are pivotal in predicting protein–water partition
coefficients, with traditional one-parameter (1p-LFER) models often based on octanol …

Parameter mapping sonification of human olfactory thresholds

JL Boevé, R Giot - Biology, 2023 - mdpi.com
Simple Summary It is challenging to deduce the bioactivity of volatile compounds from their
chemical characteristics. We therefore previously used parameter mapping sonification to …

Establishing short-term occupational exposure limits (STELs) for sensory irritants using predictive and in silico respiratory rate depression (RD50) models

AJ Russell, M Vincent, AN Buerger, S Dotson… - Inhalation …, 2024 - Taylor & Francis
Sensory irritation is a health endpoint that serves as the critical effect basis for many
occupational exposure limits (OELs). Schaper described a significant relationship with high …