Prediction of Collision Cross-Section Values for Extractables and Leachables from Plastic Products

Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials

(2022) Xue-Chao Song et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Plastic Additives in Ambient Fine Particulate Matter in the Pearl River Delta, China: High-Throughput Characterization and Health Implications

(2021) Xiaotu Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Application of Predicted Collisional Cross Section to Metabolome Databases to Probabilistically Describe the Current and Future Ion Mobility Mass Spectrometry

(2021) Corey D. Broeckling et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Ion Mobility-High-Resolution Mass Spectrometry (IM-HRMS) for the Analysis of Contaminants of Emerging Concern (CECs): Database Compilation and Application to Urine Samples

(2021) Lidia Belova et al.   ANALYTICAL CHEMISTRY

Organophosphite Antioxidants in Mulch Films Are Important Sources of Organophosphate Pollutants in Farmlands

(2021) Xinying Gong et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Safety concerns of recycling postconsumer polyolefins for food contact uses: Regarding (semi-)volatile migrants untargetedly screened

(2021) Qi-Zhi Su et al.   RESOURCES CONSERVATION AND RECYCLING

The challenges in recycling post-consumer polyolefins for food contact applications: A review

(2021) Victor S. Cecon et al.   RESOURCES CONSERVATION AND RECYCLING

Wide-scope screening of pharmaceuticals, illicit drugs and their metabolites in the Amazon River

(2021) David Fabregat-Safont et al.   WATER RESEARCH

Discovery and Characterization of Phenolic Compounds in Bearberry (Arctostaphylos uva-ursi) Leaves Using Liquid Chromatography–Ion Mobility–High-Resolution Mass Spectrometry

(2021) Xue-Chao Song et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Migration of (non-) intentionally added substances and microplastics from microwavable plastic food containers

(2021) Ying-Jie He et al.   JOURNAL OF HAZARDOUS MATERIALS

Decontamination efficiencies of post-consumer high-density polyethylene milk bottles and prioritization of high concern volatile migrants

(2021) Qi-Zhi Su et al.   RESOURCES CONSERVATION AND RECYCLING

The relevant role of ion mobility separation in LC-HRMS based screening strategies for contaminants of emerging concern in the aquatic environment

(2021) Alberto Celma et al.   CHEMOSPHERE

Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections

(2020) Dylan H. Ross et al.   ANALYTICAL CHEMISTRY

Liquid Chromatography-Ion Mobility-High Resolution Mass Spectrometry for Analysis of Pollutants in Indoor Dust: Identification and Predictive Capabilities

(2020) Lauren Mullin et al.   ANALYTICA CHIMICA ACTA

Interlaboratory and Interplatform Study of Steroids Collision Cross Section by Traveling Wave Ion Mobility Spectrometry

(2020) Maykel Hernández-Mesa et al.   ANALYTICAL CHEMISTRY

Tris(2,4-di-tert-butylphenyl) phosphate: an unexpected abundant toxic pollutant found in PM2.5

(2020) Jingchun Shi et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Multiresidue method for the determination of high production volume plastic additives in river waters

(2020) Gabino Bolívar-Subirats et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Synthetic Phenolic Antioxidants: A Review of Environmental Occurrence, Fate, Human Exposure, and Toxicity

(2020) Runzeng Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Novel Organophosphate Esters in Airborne Particulate Matters: Occurrences, Precursors, and Selected Transformation Products

(2020) Xiaotu Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Travelling Wave Ion Mobility-Derived Collision Cross Section for Mycotoxins: Investigating Interlaboratory and Interplatform Reproducibility

(2020) Laura Righetti et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

(2020) Zhiwei Zhou et al.   Nature Communications

Significance of Perfluoroalkyl Substances (PFAS) in Food Packaging

(2020) Greg W Curtzwiler et al.   Integrated Environmental Assessment and Management

Occurrence, toxicity and risk assessment of plastic additives in Besos river, Spain

(2020) Gabino Bolívar-Subirats et al.   CHEMOSPHERE

Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation

(2020) Alberto Celma et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Assessing population exposure to phthalate plasticizers in thirteen Spanish cities through the analysis of wastewater

(2020) Iria González-Mariño et al.   JOURNAL OF HAZARDOUS MATERIALS

Overview of intentionally used food contact chemicals and their hazards

(2020) Ksenia J. Groh et al.   ENVIRONMENT INTERNATIONAL

Organophosphite Antioxidants in Indoor Dust Represent an Indirect Source of Organophosphate Esters

(2019) Runzeng Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Use of ion mobility mass spectrometry to enhance cumulative analytical specificity and separation to profile 6‐ C /8‐ C‐ glycosylflavone critical isomer pairs and known–unknowns in medicinal plants

(2019) Michael McCullagh et al.   PHYTOCHEMICAL ANALYSIS

Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS

(2019) Pier-Luc Plante et al.   ANALYTICAL CHEMISTRY

Identification of Photoinitiators, Including Novel Phosphine Oxides, and Their Transformation Products in Food Packaging Materials and Indoor Dust in Canada

(2019) Runzeng Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The Amazon River: A Major Source of Organic Plastic Additives to the Tropical North Atlantic?

(2019) Natascha Schmidt et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Ion-Mobility Quadrupole Time-of-Flight Mass Spectrometry: A Novel Technique Applied to Migration of Nonintentionally Added Substances from Polyethylene Films Intended for Use as Food Packaging

(2019) Paula Vera et al.   ANALYTICAL CHEMISTRY

Beyond Phthalate Diesters: Existence of Phthalate Monoesters in South China House Dust and Implications for Human Exposure

(2019) Xiaotu Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Plastic Teabags Release Billions of Microparticles and Nanoparticles into Tea

(2019) Laura M. Hernandez et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Environmental exposure to microplastics: An overview on possible human health effects

(2019) Joana Correia Prata et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Ion mobility quadrupole time-of-flight mass spectrometry for the identification of non-intentionally added substances in UV varnishes applied on food contact materials. A safety by design study

(2019) E. Canellas et al.   TALANTA

Ion mobility-derived collision cross section database: Application to mycotoxin analysis

(2018) Laura Righetti et al.   ANALYTICA CHIMICA ACTA

Determination of oligomers in virgin and recycled polyethylene terephthalate (PET) samples by UPLC-MS-QTOF

(2018) Sara Ubeda et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Collision Cross Section (CCS) Database: An Additional Measure to Characterize Steroids

(2018) Maykel Hernández-Mesa et al.   ANALYTICAL CHEMISTRY

Prediction of collision cross section and retention time for broad scope screening in gradient reversed-phase liquid chromatography-ion mobility-high resolution accurate mass spectrometry

(2018) Christian Brinch Mollerup et al.   JOURNAL OF CHROMATOGRAPHY A

An overview of chemical additives present in plastics: Migration, release, fate and environmental impact during their use, disposal and recycling

(2018) John N. Hahladakis et al.   JOURNAL OF HAZARDOUS MATERIALS

Comparison of CCS Values Determined by Traveling Wave Ion Mobility Mass Spectrometry and Drift Tube Ion Mobility Mass Spectrometry

(2018) Vanessa Hinnenkamp et al.   ANALYTICAL CHEMISTRY

Unexpectedly High Concentrations of a Newly Identified Organophosphate Ester, Tris(2,4-di-tert-butylphenyl) Phosphate, in Indoor Dust from Canada

(2018) Runzeng Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Plastic waste as a significant threat to environment – a systematic literature review

(2018) Muhammad Ilyas et al.   REVIEWS ON ENVIRONMENTAL HEALTH

Overview of known plastic packaging-associated chemicals and their hazards

(2018) Ksenia J. Groh et al.   SCIENCE OF THE TOTAL ENVIRONMENT

High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization

(2017) Derya Biryol et al.   ENVIRONMENT INTERNATIONAL

Adding a new separation dimension to MS and LC-MS: What is the utility of ion mobility spectrometry?

(2017) Valentina D'Atri et al.   JOURNAL OF SEPARATION SCIENCE

Metabolomics and lipidomics using traveling-wave ion mobility mass spectrometry

(2017) Giuseppe Paglia et al.   Nature Protocols

Production, use, and fate of all plastics ever made

(2017) Roland Geyer et al.   Science Advances

Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers

(2016) Jasper Boschmans et al.   ANALYST

Collision cross section prediction of deprotonated phenolics in a travelling-wave ion mobility spectrometer using molecular descriptors and chemometrics

(2016) Gerard Bryan Gonzales et al.   ANALYTICA CHIMICA ACTA

Large-Scale Prediction of Collision Cross-Section Values for Metabolites in Ion Mobility-Mass Spectrometry

(2016) Zhiwei Zhou et al.   ANALYTICAL CHEMISTRY

Ion-Mobility-Derived Collision Cross Section as an Additional Identification Point for Multiresidue Screening of Pesticides in Fish Feed

(2016) Jorge Regueiro et al.   ANALYTICAL CHEMISTRY

Effects of Ultraviolet (UV) on Degradation of Irgafos 168 and Migration of Its Degradation Products from Polypropylene Films

(2016) Yueping Yang et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

(2016) Yannick Djoumbou Feunang et al.   Journal of Cheminformatics

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

(2015) Jie Dong et al.   Journal of Cheminformatics

The challenge of identifying non-intentionally added substances from food packaging materials: A review

(2013) C. Nerin et al.   ANALYTICA CHIMICA ACTA

Fast liquid chromatography–tandem mass spectrometry for the analysis of bisphenol A-diglycidyl ether, bisphenol F-diglycidyl ether and their derivatives in canned food and beverages

(2011) H. Gallart-Ayala et al.   JOURNAL OF CHROMATOGRAPHY A

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

(2011) Iurii Sushko et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A working guide to boosted regression trees

(2008) J. Elith et al.   JOURNAL OF ANIMAL ECOLOGY