AIMC Topic: Halogenation

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Investigation on the isotopic exchange radiofluorination of the pentafluorosulfanyl group.

Organic & biomolecular chemistry
The pentafluorosulfanyl group (-SF) is one of the most promising fluorinated functional groups, recently developed as an alternative to the trifluoromethyl group (-CF) in drug design. Fluorine-18 allows researchers to investigate activity and biodis...

Activating PFAS to Unlock Efficient Defluorination.

Environmental science & technology
Per- and polyfluoroalkyl substances (PFAS) are highly resistant to conventional degradation methods due to the exceptional stability of their C-F bonds. As a result, current degradation technologies often rely on high energy inputs and excessive use ...

Proof-of-concept evaluation at Cox's Bazar of the Safe Water Optimization Tool: water quality modelling for safe water supply in humanitarian emergencies.

BMJ global health
INTRODUCTION: Waterborne diseases are leading concerns in emergencies. Humanitarian guidelines stipulate universal water chlorination targets, but these fail to reliably protect water as postdistribution chlorine decay can leave water vulnerable to p...

Enzymatic carbon-fluorine bond cleavage by human gut microbes.

Proceedings of the National Academy of Sciences of the United States of America
Fluorinated compounds are used for agrochemical, pharmaceutical, and numerous industrial applications, resulting in global contamination. In many molecules, fluorine is incorporated to enhance the half-life and improve bioavailability. Fluorinated co...

From Model Development to Mitigation: Machine Learning for Predicting and Minimizing Iodinated Trihalomethanes in Water Treatment.

Environmental science & technology
Disinfection processes in water treatment produce disinfection byproducts (DBPs), such as iodinated trihalomethanes (I-THMs), which pose significant health risks. Mitigating I-THMs remains challenging due to the complex interactions among water quali...

Prediction of chlorination degradation rate of emerging contaminants based on machine learning models.

Environmental pollution (Barking, Essex : 1987)
Assessing the degradation of emerging contaminants in water through chlorination is crucial for regulatory monitoring of these contaminants. In this study, we developed a machine learning model to predict the apparent second-order reaction rate const...

Enhanced iodinated disinfection byproducts formation in iodide/iodate-containing water undergoing UV-chloramine sequential disinfection: Machine learning-aided identification of reaction mechanisms.

Water research
Restricted to the complex nature of dissolved organic matter (DOM) in various aquatic environments, the mechanisms of enhanced iodinated disinfection byproducts (I-DBPs) formation in water containing both I and IO (designated as I/IO in this study) d...

High Glass Transition Temperature Fluorinated Polymers Based on Transfer Learning with Small Experimental Data.

Macromolecular rapid communications
Machine learning can be used to predict the properties of polymers and explore vast chemical spaces. However, the limited number of available experimental datasets hinders the enhancement of the predictive performance of a model. This study proposes ...

Artificial neural network modeling for the oxidation kinetics of divalent manganese ions during chlorination and the role of arsenite ions in the binary/ternary systems.

Water research
This study investigated the coexistence and contamination of manganese (Mn(II)) and arsenite (As(III)) in groundwater and examined their oxidation behavior under different equilibrating parameters, including varying pH, bicarbonate (HCO) concentratio...

Optimizing removal of antiretroviral drugs from tertiary wastewater using chlorination and AI-based prediction with response surface methodology.

The Science of the total environment
Chemical and pharmaceutical chemicals found in water sources create substantial risks to human health and the environment. The presence of pharmaceutical contaminants in water can cause antibiotic resistance development, toxicity to aquatic organisms...