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PubMed Publications| Keyword search (4,164 papers available) |  |
"Li S" Authored Publications:
| Title | Authors | PubMed ID | |
|---|---|---|---|
| 1 | Artificial intelligence-assisted identification of condensing osteitis and idiopathic osteosclerosis on panoramic radiographs | Yuksel IB; Boudesh A; Ghanbarzadehchaleshtori M; Ozsoy SC; Bahrilli S; Mohammadi R; Altindag A; | 40790082 ENCS |
| 2 | Strategies to Reduce Uncertainties from the Best Available Physicochemical Parameters Used for Modeling Novel Organophosphate Esters across Multimedia Environments | Xing C; Ge J; Chen R; Li S; Wang C; Zhang X; Geng Y; Jones KC; Zhu Y; | 40105294 CHEMBIOCHEM |
| 3 | Electroforming of Personalized Multi-Level and Free-Form Metal Parts Utilizing Fused Deposition Modeling-Manufactured Molds | Hamed H; Aghili S; Wüthrich R; Abou-Ziki JD; | 38930706 ENCS |
| 4 | From wastewater to clean water: Recent advances on the removal of metronidazole, ciprofloxacin, and sulfamethoxazole antibiotics from water through adsorption and advanced oxidation processes (AOPs) | Gahrouei AE; Vakili S; Zandifar A; Pourebrahimi S; | 38685299 ENCS |
| 5 | The daily association between affect and alcohol use: A meta-analysis of individual participant data | Dora J; Piccirillo M; Foster KT; Arbeau K; Armeli S; Auriacombe M; Bartholow B; Beltz AM; Blumenstock SM; Bold K; Bonar EE; Braitman A; Carpenter RW; Creswell KG; De Hart T; Dvorak RD; Emery N; Enkema M; Fairbairn C; Fairlie AM; Ferguson SG; Freire T; Goodman F; Gottfredson N; Halvorson M; Haroon M; Howard AL; Hussong A; Jackson KM; Jenzer T; Kelly DP; Kuczynski AM; Kuerbis A; Lee CM; Lewis M; Linden-Carmichael AN; Littlefield A; Lydon-Staley DM; Merrill JE; Miranda R; Mohr C; Read JP; Richardson C; O' | 37560174 CONCORDIA |
| 6 | System Approach for Characterizing and Evaluating Factors for Occupational Health Impacts Due to Nonfatal Injuries and Illnesses for the Use in Life Cycle Assessment | Huang Z; Kijko G; Scanlon K; Lloyd S; Henderson A; Fantke P; Jolliet O; Li S; | 37490771 ENCS |
| 7 | Diverse geroprotectors differently affect a mechanism linking cellular aging to cellular quiescence in budding yeast | Leonov A; Feldman R; Piano A; Arlia-Ciommo A; Junio JAB; Orfanos E; Tafakori T; Lutchman V; Mohammad K; Elsaser S; Orfali S; Rajen H; Titorenko VI; | 35937500 BIOLOGY |
| 8 | TRAPPC11-related muscular dystrophy with hypoglycosylation of alpha-dystroglycan in skeletal muscle and brain | Munot P; McCrea N; Torelli S; Manzur A; Sewry C; Chambers D; Feng L; Ala P; Zaharieva I; Ragge N; Roper H; Marton T; Cox P; Milev MP; Liang WC; Maruyama S; Nishino I; Sacher M; Phadke R; Muntoni F; | 34648194 BIOLOGY |
| 9 | The Biology of Vasopressin. | Sparapani S, Millet-Boureima C, Oliver J, Mu K, Hadavi P, Kalostian T, Ali N, Avelar CM, Bardies M, Barrow B, Benedikt M, Biancardi G, Bindra R, Bui L, Chihab Z, Cossitt A, Costa J, Daigneault T, Dault J, Davidson I, Dias J, Dufour E, El-Khoury S, Farhangdoost N, Forget A, Fox A, Gebrael M, Gentile MC, Geraci O, Gnanapragasam A, Gomah E, Haber E, Hamel C, Iyanker T, Kalantzis C, Kamali S, Kassardjian E, Kontos HK, Le TBU, LoScerbo D, Low YF, Mac Rae D, Maurer F, Mazhar S, Nguyen A, Nguyen-Duong K, Osborne-L | 33477721 BIOLOGY |
| 10 | Glycemic extremes are related to cognitive dysfunction in children with type 1 diabetes: A meta-analysis | He J; Ryder AG; Li S; Liu W; Zhu X; | 29573221 PSYCHOLOGY |
| 11 | Caloric restriction extends yeast chronological lifespan via a mechanism linking cellular aging to cell cycle regulation, maintenance of a quiescent state, entry into a non-quiescent state and survival in the non-quiescent state. | Leonov A, Feldman R, Piano A, Arlia-Ciommo A, Lutchman V, Ahmadi M, Elsaser S, Fakim H, Heshmati-Moghaddam M, Hussain A, Orfali S, Rajen H, Roofigari-Esfahani N, Rosanelli L, Titorenko VI | 29050207 BIOLOGY |
| 12 | Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition). | Klionsky DJ, Abdelmohsen K, Abe A, Abedin MJ, Abeliovich H, Acevedo Arozena A, Adachi H, Adams CM, Adams PD, Adeli K, Adhihetty PJ, Adler SG, Agam G, Agarwal R, Aghi MK, Agnello M, Agostinis P, Aguilar PV, Aguirre-Ghiso J, Airoldi EM, Ait-Si-Ali S, Akematsu T, Akporiaye ET, Al-Rubeai M, Albaiceta GM, Albanese C, Albani D, Albert ML, Aldudo J, Algül H, Alirezaei M, Alloza I, Almasan A, Almonte-Beceril M, Alnemri ES, Alonso C, Altan-Bonnet N, Altieri DC, Alvarez S, Alvarez-Erviti L, Alves S, Amadoro G, Amano | 26799652 NA |
| Title: | Strategies to Reduce Uncertainties from the Best Available Physicochemical Parameters Used for Modeling Novel Organophosphate Esters across Multimedia Environments | ||||
| Authors: | Xing C, Ge J, Chen R, Li S, Wang C, Zhang X, Geng Y, Jones KC, Zhu Y | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/40105294/ | ||||
| DOI: | 10.1021/acs.est.4c11028 | ||||
| Publication: | Environmental science & technology | ||||
| Keywords: | environmental multimedia distribution; novel organophosphate esters; octanol-air partition coefficient (Koa); octanol-water partition coefficient (Kow); overall persistence; physicochemical properties; vapor pressure (Vp); water solubility (Sw); | ||||
| PMID: | 40105294 | Category: | Date Added: | 2025-03-19 | |
| Dept Affiliation: |
CHEMBIOCHEM
1 School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China. 2 The Key Laboratory of Environmental Health Impact Assessment for Emerging Pollutants, Ministry of Ecology and Environment of the People's Republic of China, Shanghai 200240, China. 3 Shenzhen Key Laboratory of Precision Measurement and Early Warning Technology for Urban Environmental Health Risks, School of Environmental Science and Engineering, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China. 4 Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montreal, Quebec H4B 1R6, Canada. 5 Lancaster Environment Centre, Lancaster University, Lancaster LA1 4YQ, United Kingdom. |
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Description: |
Organophosphate esters (OPEs) raise growing environmental and human health concerns globally. However, numerous novel OPEs lack data on physicochemical properties, which are essential for assessing environmental fate, exposure, and risks. This study predicted water solubility (Sw), vapor pressure (Vp), octanol-water partition coefficient (Kow), and octanol-air partition coefficient (Koa) at 25 °C for 46 novel OPEs by identifying optimal in silico tools and establishing prediction strategies based on molecular weights (MWs). Prediction discrepancies between in silico tools increased with MWs and structural complexity. Method evaluations for compounds with MWs > 450 g/mol suggest that COSMOtherm is advantageous in predicting Sw and Vp for alkyl-OPEs, while SPARC is better for predicting Vp for aryl- and halogenated-OPEs. For compounds with MWs > 500 g/mol, COSMOtherm and SPARC are recommended for Kow and Koa prediction, respectively. For smaller OPEs, average values from the top three of COSMOtherm, SPARC, EPI Suite, and OPERA, ranked by validation on traditional flame retardants, are recommended. Using improper software could cause deviations in multimedia distribution and overall persistence in the environment by up to 83 and 350%, respectively. The present data and prediction strategy are useful to enhance the reliability of environmental fate, exposure, and risk assessments of various OPEs and emerging contaminants. |
