Article
Environmental Sciences
Li-Na Qiao, Wan-Li Ma, Li-Yan Liu, Zi-Feng Zhang, Wei-Wei Song, Hong-Liang Jia, Anatoly N. Nikolaev, Robie W. Macdonald, Yi-Fan Li
Summary: In this study, the P/G partitioning of polychlorinated biphenyls (PCBs) was comprehensively investigated by comparing the performance of seven models. The results showed that the Li-Ma-Yang model performed the best in predicting the P/G partition quotient (K-P) of PCBs, especially in the higher KOA range. Individual congener properties were also found to play a major role in the P/G partitioning of PCBs.
ATMOSPHERIC ENVIRONMENT
(2022)
Article
Chemistry, Applied
Jia Zhang, Minmin Li, Zhiqiang Kong, Tiecheng Bai, Rui Quan, Tengfei Gao, Lifang Duan, Yongguo Liu, Bei Fan, Fengzhong Wang
Summary: The study found that the hot-pressing process significantly affects herbicide degradation in soybean samples, and developed a predictive model based on experimental data that can be used for safety risk assessments and setting maximum residue limits for pesticides in processed products.
Article
Engineering, Environmental
Xuejing Kang, Bo Hu, Mayang Christy Perdana, Yongsheng Zhao, Zhongbing Chen
Summary: This study utilized the extreme learning machine method and COSMO descriptors to construct estimation models for predicting the Kow of organics, with the ELM-4 model showing the best correlation coefficient and root-mean-square error.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Haripriya Naidu, Junli Liu, Ozan Kahraman, Hao Feng
Summary: Using ultrasonic energy, this study separated 11 organic molecules from binary aqueous solutions, with alcohols and acetone enriched in the mist while ethylene glycol and glycerol were diluted. The hydrophobicity of the molecules played a crucial role in determining the separation characteristics in the mist and vapor generated by ultrasound.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Engineering, Environmental
Ralf-Uwe Ebert, Ralph Kuehne, Gerrit Schueuermann
Summary: The Koa value is important for assessing the bioconcentration of airborne xenobiotics in foliage and in air-breathing organisms. A newly developed fragment model outperforms other prediction methods in terms of accuracy, and is implemented in the ChemProp software for public use. Additionally, a new approach is developed to convert from wet to dry octanol, enabling higher consistency in experimental and predicted Koa values.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Medicinal
Takeshi Oshizaka, Rena Inaba, Mana Isono, Chihiro Takei, Issei Takeuchi, Kenji Mori, Kenji Sugibayashi
Summary: This study investigated the impact of the polarity of constituent cations in ionic liquids on membrane permeation, and found that the membrane permeability of ILs is not affected by the Ko/w of the constituent p-alkylbenzoic acid. The results suggest that the resulting IL does not affect membrane permeability even when the Ko/w of IL constituents markedly differs.
CHEMICAL & PHARMACEUTICAL BULLETIN
(2022)
Article
Environmental Sciences
O. P. Femi-Oloye, F. F. Oloye, P. D. Jones, J. P. Giesy
Summary: This study examined the sorption behavior and toxic effects of the herbicide safener Cyprosulfamide in soils and to aquatic organisms. The sorption of Cyprosulfamide to soil was found to be influenced by pH, with lower sorption at higher pH levels. Other soil properties such as cation exchange capacity, organic carbon content, and field capacity did not directly affect the sorption behavior. In acute toxicity tests, no lethality was observed in Daphnia magna at the highest tested concentration of 120 mg/L, indicating a LC50 value greater than 120 mg/L. However, chronic exposures to Cyprosulfamide at 120 mg/L concentration resulted in adverse effects on neonate production and brood size of D. magna, with death rate increasing with exposure time. These results suggest that Cyprosulfamide is unlikely to induce lethality in D. magna at environmentally relevant concentrations.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Environmental Sciences
Yun Deng, Wang Xu, Qinghuai Zeng, Feiyun Sun, Fei Wang, Yanjie Li
Summary: The soil-air partition coefficients (KSA) of PBDEs and OPFRs were measured using a solid-phase fugacity meter, and the effects of temperature and relative humidity on KSA values were analyzed. An inverse relationship was found between temperature/RH and KSA values for both PBDEs and OPFRs. The study also found a significant correlation between log KSA and log KOA. The experimental KSA values differed greatly from the predicted values based on KOA. This study provides a better understanding of the behavior and fate of PBDEs and OPFRs in soil-air systems.
Article
Chemistry, Physical
Masaaki Omichi, Noriaki Seko, Yasunari Maekawa
Summary: This study investigates the effect of adding alcohols on the grafting of glycidyl methacrylate (GMA) in emulsion graft polymerization. By adding hydrophobic alcohols to the GMA monomer emulsion, the polymerization rate at low monomer concentrations is increased and the foamability of the emulsion is reduced. This novel graft polymerization method has wide industrial application potential and improves the existing issues of conventional emulsion graft polymerization.
RADIATION PHYSICS AND CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Hui Wang, Zixiang Wei, Sergei Vagin, Xuehua Zhang, Bernhard Rieger, Alkiviathes Meldrum
Summary: This study presents a fluorescent-droplet-based acid-sensing scheme with detection limits below 100 pM for weak acids, demonstrating excellent sensing performance. Interactions with the sensor dye are likely responsible for the enhanced equilibrium partitioning observed.
Article
Environmental Sciences
Sabina Llamazares Vegh, Fernanda Biole, Marta Bavio, Pamela Tripodi, Adolfo F. Gil, Alejandra V. Volpedo
Summary: This study assessed the concentration, bioconcentration, and bioaccumulation of ten trace elements in juvenile fishes in the Lower Parana River. The results showed that all studied species bioaccumulate certain elements and that feeding habits determine trace element concentrations, with significant differences observed between trophic guilds. Further studies are necessary to understand differential behavior between different species within the aquatic web, particularly in the crucial nursery area of the Parana floodplain.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Food Science & Technology
Yanyan Tang, Mengxin Wang, Cheng Pan, Shuishan Mi, Baoyu Han
Summary: A highly specific and high extraction-rate method for the analysis of five phthalate esters (PAEs) in tea samples has been developed. The study also analyzed the dynamic distribution of PAEs during black tea processing, finding that the baking process is the main stage of PAE emission. Principal component analysis of the physicochemical properties and processing factors of the PAEs revealed that the degradation of PAEs during black tea processing is also related to its own physicochemical properties.
Article
Engineering, Environmental
Timothy F. M. Rodgers, Joseph O. Okeme, J. Mark Parnis, Kyle Girdhari, Terry F. Bidleman, Yuchao Wan, Liisa M. Jantunen, Miriam L. Diamond
Summary: Accurate values of physicochemical properties are crucial for screening semivolatile organic compounds for human and environmental hazard. A proposed workflow combines direct and indirect measurement methods as well as in silico values to estimate final adjusted values (FAVs). In silico methods showed significant variability and performed worse for larger, more polar compounds.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2021)
Article
Engineering, Environmental
Rishikesh Bajagain, Pil-Gon Kim, Jung-Hwan Kwon, Yongseok Hong
Summary: This study measured the equilibrium partition coefficients for 10 selected PAEs between PDMS and water using the kinetic permeation method. The results showed that the desorption rate constant and the affinity of organic compounds to PDMS were positively correlated. This study provides important information for evaluating the bioavailability and risk of phthalates in real environmental samples.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Judith Warnau, Karin Wichmann, Jens Reinisch
Summary: Using the COSMO-RS method, we accurately predicted the partition coefficient logP for 22 small drug-like molecules between water and 1-octanol in the SAMPL7 blind challenge, ranking 6th overall among 17 submissions with a mean absolute error (MAE) of 0.57. Our method demonstrated wide applicability and high reliability compared to other physical methods in previous SAMPL challenges.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
(2021)
Article
Environmental Sciences
John R. Meier, James M. Lazorchak, Marc Mills, Paul Wernsing, Paul C. Baumann
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
(2015)
Article
Environmental Sciences
James M. Lazorchak, Michael B. Griffith, Marc Mills, Joseph Schubauer-Berigan, Frank McCormick, Richard Brenner, Craig Zeller
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
(2015)
Article
Engineering, Environmental
I. Michael-Kordatou, C. Michael, X. Duan, X. He, D. D. Dionysiou, M. A. Mills, D. Fatta-Kassinos
Article
Environmental Sciences
Adeline Arini, Jenna E. Cavallin, Jason P. Berninger, Ruth Marfil-Vega, Marc Mills, Daniel L. Villeneuve, Niladri Basu
ENVIRONMENTAL POLLUTION
(2016)
Article
Engineering, Environmental
Xiaodi Duan, Xuexiang He, Dong Wang, Stephen P. Mezyk, Shauna C. Otto, Ruth Marfil-Vega, Marc A. Mills, Dionysios D. Dionysiou
JOURNAL OF HAZARDOUS MATERIALS
(2017)
Article
Environmental Sciences
Ruth Marfil-Vega, Makram T. Suidan, Marc A. Mills
Article
Environmental Sciences
Ruth Marfil-Vega, Makram T. Suidan, Marc A. Mills
Article
Ecology
David F. Raikow, David M. Walters, Ken M. Fritz, Marc A. Mills
ECOLOGICAL APPLICATIONS
(2011)
Article
Engineering, Environmental
Andrea C. Blaine, Courtney D. Rich, Lakhwinder S. Hundal, Christopher Lau, Marc A. Mills, Kimberly M. Harris, Christopher P. Higgins
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2013)
Article
Engineering, Environmental
Andrea C. Blaine, Courtney D. Rich, Erin M. Sedlacko, Lakhwinder S. Hundal, Kuldip Kumar, Christopher Lau, Marc A. Mills, Kimberly M. Harris, Christopher P. Higgins
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2014)
Article
Environmental Sciences
Elizabeth M. Mackenbach, You Jing, Marc A. Mills, Peter F. Landrum, Michael J. Lydy
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
(2012)
Article
Environmental Sciences
Elizabeth M. Mackenbach, Amanda D. Harwood, Marc A. Mills, Peter F. Landrum, Michael J. Lydy
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
(2014)
Article
Biochemical Research Methods
Madhav V. Machavaram, Jake J. Beaulieu, Marc A. Mills
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2013)
Meeting Abstract
Chemistry, Multidisciplinary
Xiaodi Duan, Xuexiang He, Stephen P. Mezyk, Ruth Marfil-Vega, Marc A. Mills, Dionysios D. Dionysiou
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
Meeting Abstract
Chemistry, Multidisciplinary
Kavitha Dasu, Marc A. Mills, Kidus Tadele, Brian Crone
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)