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Last Updated: 08-25-2017
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TopicReference TypeCitationLinkNotes
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Emerging chemical contaminents in water
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Online Database
Northeastern University’s Social Science Environmental Health Institute (SSEHRI) Per- and polyfluoroalkyl substances (PFAS) Contamination Site Tracker
https://docs.google.com/spreadsheets/d/10XLF3jfsrUGkpRxKL6D5uS1W8nZzJPOBZ3yN1PaBWBM/edit?usp=sharing
Fluorinated chemicals are being found in environment around the world; NowEastern Univeristy's researchers are keeping track of all the new reports here (https://pfasproject.com/); the US EPA advisory health limits for these chemicals is around 70 parts per trillion; To give an idea, a part per trillion, or ppt, is about one drop of water diluted in twenty Olympic-size swimming pools, and this limit is about 1000 times lower than what US EPA already mandates for concentration of herbicide roundup ® (Glyphosate)
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Peer reviewed paper
Richardson, S. D. (2009). Water analysis: emerging contaminants and current issues. Analytical chemistry, 81(12), 4645-4677.
This is a nice review paper outlining the status of all the emerging contaminents in water
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Peer reviewed paper
Kolpin, D. W., Furlong, E. T., Meyer, M. T., Thurman, E. M., Zaugg, S. D., Barber, L. B., & Buxton, H. T. (2002). Pharmaceuticals, hormones, and other organic wastewater contaminants in US streams, 1999− 2000: A national reconnaissance. Environmental science & technology, 36(6), 1202-1211.
This is a paper from USGS authors who conclusively showed chemicals such as pharmaceuticals, personal care products etc in watersheds across the US
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Peer reviewed paper
Slobodnik, J., & Dulio, V. (2008). NORMAN–Network of Reference Laboratories for Monitoring of Emerging Substances. The Water Framework Directive: Ecological and Chemical Status Monitoring, 355-369.
This is a paper from the Norman-Network team talking about the status of their European centric monitoring program
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Peer reviewed paper
Brack, W., Dulio, V., & Slobodnik, J. (2012). The NORMAN Network and its activities on emerging environmental substances with a focus on effect-directed analysis of complex environmental contamination. Environmental Sciences Europe, 24(1), 29.
This is a paper from the Norman-Network team talking about the status of their European centric monitoring program
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Website link
http://www.norman-network.net/?q=node/81
List of over 900 chemicals (emerging contaminents) in water based on Norman Network's work. They consist of pesticides, personal care products, pharmaceuticals, industrial chemicals etc and were mainly identified with using data from European countries, but recently Norman Network membership has expanded to rest of the world, and we are hoping to contribute to their list of chemicals by identifying new ones through our UGA program
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Peer reviewed paper
Hu, X. C., Andrews, D. Q., Lindstrom, A. B., Bruton, T. A., Schaider, L. A., Grandjean, P., ... & Higgins, C. P. (2016). Detection of poly-and perfluoroalkyl substances (PFASs) in US drinking water linked to industrial sites, military fire training areas, and wastewater treatment plants. Environmental science & technology letters, 3(10), 344.
This is a paper from a US EPA/NERL author which summarizes PFAS occurance in American drinking waters; there are couple of excellent US maps colored with extent of contaminantion observed.
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Peer reviewed paper
Stevens, C.T., Patel, J. M., Jones, W. J., Weber, E. J., Prediction of Hydrolysis Products of Organic Chemicals under Environmental pH ConditionsEnviron. Sci. Tech., Just Accepted (2017).
This paper is from US EPA/ORD/NERL authors and talks about a web services based model which predicts degradation products for commonly found chemical contaminants in the environment.
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Print media (international)
AN AP INVESTIGATION : Pharmaceuticals Found in Drinking Water
http://hosted.ap.org/specials/interactives/pharmawater_site/
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Report
https://toxics.usgs.gov/pubs/OFR-02-94/
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Report
https://water.usgs.gov/nawqa/studies/public_wells/map.html
This shows a US map with contaminated public wells, the caption reads "Figure 5. Twenty-two percent of 932 source-water samples from public wells contained one or more chemical contaminants at concentrations greater than Maximum Contaminant Levels or Health-Based Screening Levels. A total of 80 percent of samples (206 plus 539 wells) contained one or more contaminants at concentrations greater than one-tenth of human-health benchmarks. Public wells yielding water in which contaminant concentrations were greater than benchmarks, as well as those in which concentrations were greater than one-tenth of benchmarks, were distributed throughout the United States and included wells that withdraw water from every principal aquifer rock type included in this study."
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ChemPrint Methodology
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Book
Simpson, Nigel JK. Solid-phase extraction: principles, techniques, and applications. CRC press, 2000.
This book presents an overview of solid phase extraction techniques. We are using this as first step in ChemPrint
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Book
Poole, C. (2014). Instrumental thin-layer chromatography. Elsevier.
This book presents a nice overview on how recent tools have advanced the TLC methodology
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Book
Sherma, J., & Fried, B. (Eds.). (2003). Handbook of thin-layer chromatography (Vol. 89). CRC press.
This book, and other J Sherma authored review papers are basis for detection of various pesticides, pharmaceuticals etc using ChemPrint
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Book
Touchstone, J. C. (1992). Practice of thin layer chromatography. John Wiley & Sons.
This book, and other J Sherma authored review papers are basis for detection of various pesticides, pharmaceuticals etc using ChemPrint
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Book
Stahl, E. (1962). Thin-layer chromato-graphy. A laboratory handbook. Thin-layer chromato-graphy. A laboratory handbook.
This book, and other J Sherma authored review papers are basis for detection of various pesticides, pharmaceuticals etc using ChemPrint
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Peer reviewed paper
Senseman, S. A., Lavy, T. L., Mattice, J. D., Myers, B. M., & Skulman, B. W. (1993). Stability of various pesticides on membranous solid-phase extraction media. Environmental science & technology, 27(3), 516-519.
This is a nice paper on using SPE for extraction of pesticides
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peer reviewed paper
Mattice, J. D., Senseman, S. A., Walker, J. T., & Gbur Jr, E. E. (2002). Portable system for extracting water samples for organic analysis. Bulletin of environmental contamination and toxicology, 68(2), 161-167.
We are using this methodology for performing SPE onsite using ChemPrint
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Peer reviewed paper
Senseman, S. A., Mueller, T. C., Riley, M. B., Wauchope, R. D., Clegg, C., Young, R. W., ... & Mattice, J. D. (2003). Interlaboratory comparison of extraction efficiency of pesticides from surface and laboratory water using solid-phase extraction disks. Journal of agricultural and food chemistry, 51(13), 3748-3752.
We are using this methodology for performing SPE onsite using ChemPrint
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Peer reviewed paper
Chen, J., Abell, J., Huang, Y. W., & Zhao, Y. (2012). On-chip ultra-thin layer chromatography and surface enhanced Raman spectroscopy. Lab on a Chip, 12(17), 3096-3102.
This is an excellent paper from another UGA team on using Surface enhanced raman spectroscopy (SERS) coupled with TLC. We are using this as basis for Automated ChemPrint
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peer reviewed paper
Hamada, M., & Wintersteiger, R. (2002). Rapid screening of triazines and quantitative determination in drinking water. Journal of biochemical and biophysical methods, 53(1), 229-239.
SERS-TLC of pesticides. ChemPrint pesticides analysis is based similar approaches
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peer reviewed paper
Benvenue, A., Kelley, T. W., & Hylin, J. W. (1971). Problems in water analysis for pesticide residues. Journal of Chromatography A, 54, 71-76.
This very old paper discusses some of the precautions necassary when performing water analysis for trace level pollutants. We are ensuring that our ChemPrint protocols take special care to avoid these issues.
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Peer reviewed paper
Li, D., Qu, L., Zhai, W., Xue, J., Fossey, J. S., & Long, Y. (2011). Facile on-site detection of substituted aromatic pollutants in water using thin layer chromatography combined with surface-enhanced Raman spectroscopy. Environmental science & technology, 45(9), 4046-4052.
Another TLC-SERS paper
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Peer reviewed paper
Zhang, Z. M., Liu, J. F., Liu, R., Sun, J. F., & Wei, G. H. (2014). Thin layer chromatography coupled with surface-enhanced Raman scattering as a facile method for on-site quantitative monitoring of chemical reactions. Analytical chemistry, 86(15), 7286-7292.
Another TLC-SERS paper
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Peer reviewed paper
Freye, C. E., Crane, N. A., Kirchner, T. B., & Sepaniak, M. J. (2013). Surface enhanced Raman scattering imaging of developed thin-layer chromatography plates. Analytical chemistry, 85(8), 3991-3998.
TLC-SERS paper
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Peer reviewed paper
Hess, A. V. I. (2007). Digitally enhanced thin-layer chromatography: an inexpensive, new technique for qualitative and quantitative analysis. J. Chem. Educ, 84(5), 842.
Hess AV analyzed an image of TLC using a software she wrote in matlab called TLC analyzer, determined the concentration of couple of chemicals (by determining pixel intensity for extent of fluorescence quenching under UV light)
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Peer reviewed paper
Fichou, D., Ristivojević, P., & Morlock, G. E. (2016). Proof-of-Principle of rTLC, an Open-Source Software Developed for Image Evaluation and Multivariate Analysis of Planar Chromatograms. Analytical Chemistry, 88(24), 12494-12501.
This paper talks about the open source R based software called rTLC, which we are using in ChemPrint
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Peer reviewed paper
Morlock, G. E., Oellig, C., Bezuidenhout, L. W., Brett, M. J., & Schwack, W. (2010). Miniaturized planar chromatography using office peripherals. Analytical chemistry, 82(7), 2940-2946.
This paper explored in earnest the idea of using an inkjet printer and scanner for TLC. We are using this as the basis for fully automated ChemPrint version for confirmatory analysis
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Peer reviewed paper
Pelander, A., Ojanperä, I., Sivonen, K., Himberg, K., Waris, M., Niinivaara, K., & Vuori, E. (1996). Screening for cyanobacterial toxins in bloom and strain samples by thin layer chromatography. Water Research, 30(6), 1464-1470.
TLC detection for cyanotoxins
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Peer reviewed paper
Pelander, A., Ojanperä, I., Lahti, K., Niinivaara, K., & Vuori, E. (2000). Visual detection of cyanobacterial hepatotoxins by thin-layer chromatography and application to water analysis. Water Research, 34(10), 2643-2652.
TLC detection for cyanotoxins
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Peer reviewed paper
Shan, Guoqiang & Yu, Mengqi & Shengsong, Yu & Zhu, Lingyan. (2014). [Analysis of perfluorooctanoic acid by high performance liquid chromatography with 3,4-dichloroaniline derivatization]. Se pu = Chinese journal of chromatography / Zhongguo hua xue hui. 32. 942-7. 10.3724/SP.J.1123.2014.05028.
http://pub.chinasciencejournal.com/ChineseJournalofChromatography/40175.jhtml
TLC detection of PFOS
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Peer reviewed paper
Heuvel, J. P. V., Van Rafelghem, M. J., Menahan, L. A., & Peterson, R. E. (1989). Isolation and purification of perfluorodecanoic and perfluorooctanoic acids from rat tissues. Lipids, 24(6), 526-531.
TLC detection PFOA in rat tissues
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Report
https://www.pca.state.mn.us/sites/default/files/pfos-report.pdf
TLC detection PFOS 3M
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Blog article
https://news.uci.edu/2015/08/10/testing-for-toxins/
ELISA based kits for cyanotoxin detections https://www.abraxiskits.com/products/algal-toxins/

http://www.beaconkits.com/welcome/category/algal-toxins/microcystin
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Blog Article
http://www.azom.com/article.aspx?ArticleID=10909
This blog post talks about Spot on id TLC kit which is a TLC based kit for use by law enforcement to detect narcotics and explosive residues.
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Website link
https://www.fieldforensics.com/products/by-model/spotonid-explosives-narcotics/
This is the products page for Spot on id TLC kit, which is a TLC based kit for use by law enforcement to detect narcotics and explosive residues.
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Report
Committee, S. W. G. D. R. U. G. (2016). Scientific Working Group for the Analysis of Seized Drugs (SWGDRUG), Recommendations for: Education and Training. Quality Assurance, Methods of Analysis, US Department of Justice, Drug Enforcement Administration/Executive Office of the President, Office of National Drug Control Policy, Counterdrug Technology Assessment Center.
http://www.swgdrug.org/Documents/SWGDRUG%20Recommendations%20Version%207-1.pdf
This reccomendation report shows that TLC and Raman spectroscopy can be used to confirm the identity of narcotics and other controlled substances. We want to create a similar confirmatory test for environmental pollutants using automated ChemPrint.
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Conference Presentation
Patel, J.M., Patel, M.G., Bouwens, A., Isidro, J., Phillips, R.S., Open source instruments and chemical analysis methods for a citizen science based environmental monitoring initiative Presented at PITTCON 2017, 7th March, 2017 Chicago, IL. https://www.slideshare.net/ACH_jaypatel/citizen-sciencepittcon2017
https://www.slideshare.net/ACH_jaypatel/citizen-sciencepittcon2017
This presentation talks about the open source tools like Mod-Spec UV-VIS spectrometer which we have already developed at AnalyzeChemicals.com. We are going to use Mod-Spec as part of Raman Spectrometer for Automated ChemPrint.
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Conference paper
Bowser, A., Hansen, D., He, Y., Boston, C., Reid, M., Gunnell, L., & Preece, J. (2013, October). Using gamification to inspire new citizen science volunteers. In Proceedings of the first international conference on gameful design, research, and applications (pp. 18-25). ACM.
This paper describes how gamified smartphone apps are useful for citizen science projects. We are working with UGA's New Media Institute for developing a gamified smartphone app which can be used by our crowdfunding backers, volunteers etc to determine the chemical contamination in their areas and understand the health impact of various commonly found harmful pollutants in the environment.
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Website link
http://analyzechemicals.com/test/
This is a test page for our emerging contamients database with a google maps front end. user will be able to enter a zip code and find out all the chemicals observed in water bodies in the area, and their concentration levels. This curated dataset will be constructed by refering to peer reviewed papers, federal, state and local agencies' reports and data gathered from our own research
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Data Analysis Software
http://54.174.248.195:3838/
This is our fork of rTLC, its an open source R based web application where a user can upload a TLC image and analyze it to find the pixel intensity based on which we can calculate concentration of the given contaminent.
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Data Analysis Software
analyzechemicals.com/software/
This page contains detailed information on our Eclipse RCP based general purpose data acquisition and analysis application called ChemAnalysis Workbench
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LC-MS/GC-MS/High Res MS (Orbitrap) etc. methodology and data analysis references for ChemPrint Validation
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Peer reviewed paper
Hug, C., Ulrich, N., Schulze, T., Brack, W., & Krauss, M. (2014). Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening. Environmental Pollution, 184, 25-32.
Excellent paper describing nontarget analysis using orbitrap where you can identify a large number of pollutants
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Peer reviewed paper
Hogenboom, A. C., Van Leerdam, J. A., & De Voogt, P. (2009). Accurate mass screening and identification of emerging contaminants in environmental samples by liquid chromatography–hybrid linear ion trap Orbitrap mass spectrometry. Journal of Chromatography A, 1216(3), 510-519.
Excellent paper describing nontarget analysis using orbitrap where you can identify a large number of pollutants
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Peer reviewed paper
Schymanski, E. L., Jeon, J., Gulde, R., Fenner, K., Ruff, M., Singer, H. P., & Hollender, J. (2014). Identifying small molecules via high resolution mass spectrometry: communicating confidence.
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Peer reviewed paper
Senseman, S. A., Mueller, T. C., Riley, M. B., Wauchope, R. D., Clegg, C., Young, R. W., ... & Mattice, J. D. (2003). Interlaboratory comparison of extraction efficiency of pesticides from surface and laboratory water using solid-phase extraction disks. Journal of agricultural and food chemistry, 51(13), 3748-3752.
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All References with Notes