ACS ES&T Water
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2026
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IF 4.3
Zijun Dong,Zhihao Han,Lulu Zhang,Xiaohui Sun,Chenyu Wang,Yifeng Yang
The pervasive use of antiviral drugs (ATVs) for treating viral infections (e.g., HIV, hepatitis, and influenza) has led to their widespread detection in aquatic environments. However, their incomplete removal in wastewater treatment plants (WWTPs) and associated ecological risks remain poorly quantified, particularly in megacities with high population density and medical facility density post-COVID-19. This study analyzed influent, effluent, and process-unit samples from 16 WWTPs and surface water samples from two major river basins via UPLC–ESI–MS/MS to systematically evaluate the occurrence, removal dynamics, and ecological risks of eight priority ATVs. Ecological risk quotients (RQs) were calculated using measured environmental concentrations (MECs) and predicted no-effect concentrations (PNECs) for aquatic organisms. Acyclovir (ACV) was ubiquitously detected in all WWTPs (197–21,334 ng/L) and rivers (139–431 ng/L), with WWTP removal rates varying drastically by process (15.6–99.9%). Oseltamivir (OS) dominated influents (18,251–21,334 ng/L) but was absent in surface waters, suggesting rapid environmental transformation. Risk assessment identified high-risk RQs (>1) for ACV and OS in effluents, threatening algae and fish. Hybrid processes (e.g., A2O+MBR) outperformed single-stage systems, yet overall ATV removal remained suboptimal (avg. 48.6%). This work underscores the urgent need for process optimization and regulatory frameworks to mitigate ATV-driven ecological hazards.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2025
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IF 9
Haoran Wang,Tong Xu,Shuaishuai Xin,Guocheng Liu,Qinghua Yan,Dong Ma,Yanlong Sun,Chengzhi Zhou,Yanjun Xin,Ya-nan Zhang
Since the outbreak of Corona Virus Disease 2019, the widespread utilization of antiviral drugs with nucleoside and non-nucleoside structures has inevitably posed environmental risks. However, there is a lack of comprehensive research on whether nucleoside structures have an impact on their degradation behavior in aquatic environments. This study established a simulated sunlight-activated periodate (SSL/PI) system to effectively degrade zidovudine (ZDV), used as a model pollutant representative of antiviral drugs. Results showed that 1 O 2 and O 2 ∙− were identified as the main reactive species responsible for ZDV degradation. The primary degradation pathways involved C-N bond cleavage, dehydrogenation, and the disruption of azide group. The SSL/PI system demonstrated selective oxidation capabilities, with nucleoside analogue antiviral drugs (NAADs) faster than non-nucleoside antiviral drugs (NNADs). It was found that NAADs with low octanol/water partition coefficient and polarizability values are more susceptible to oxidation and removal compared to NNADs. This may be attributed to the higher hydrophilicity, reduced molecular aggregation, and resistance to deformation of NAADs compared to NNADs, thereby accelerating the oxidation process. Overall, this study offers new insights into the selective oxidative mechanisms of SSL/PI for antiviral drugs and the crucial role of nucleoside structures in the removal process.
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ACS Omega
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2021
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IF 3.512
Zhongmin Wang,Ying Li,Taotao Peng,Ying Su,Xiaoting Luo,Wanjun Han,Hongjian Zhang,Jianqing Ruan,Chunshan Gui
Phenolsulfonphthalein (PSP or phenol red), a sulfonphthalein dye, has been used as a diagnostic agent and a pH indicator in cell culture medium. After administered into the body, PSP is excreted into urine and bile. The urinary excretion of PSP is mediated by organic anion transporter 1/3 (OAT1/3) and multidrug resistance protein 2 (MRP2). In biliary excretion, PSP is effluxed from hepatocytes into the bile via MRP2. However, so far, the molecular mechanism for PSP transport from the blood into hepatocytes is unclear. In the present study, six human major hepatic uptake transporters expressed on the basolateral membrane of hepatocytes, namely, organic anion transporting polypeptide 1B1 (OATP1B1), OATP1B3, OATP2B1, Na+/taurocholate cotransporting polypeptide (NTCP), organic cation transporter 1 (OCT1), and OAT2, have been investigated to see whether they are involved in the hepatic uptake of PSP. An in vitro cell-based study demonstrated that PSP is a substrate for OATP1B1, OATP1B3, and OATP2B1, with OATP1B3 showing the highest transport efficiency. The Km values for OATP1B1-, OATP1B3-, and OATP2B1-mediated PSP uptake were 11.3 ± 1.5, 7.0 ± 1.5, and 5.1 ± 1.0 μM, respectively. PSP interacts with known OATP substrates/inhibitors. However, the presence of PSP in cell culture medium has no significant effect on OATP’s function. In vivo pharmacokinetic study in wild-type and Oatp1b2-knockout mice showed that Oatp1b2-knockout led to elevated plasma concentration and decreased liver accumulation of PSP. Taken together, the present study showed that in the liver, OATP1B1, OATP1B3, and OATP2B1 are involved in the uptake of PSP from the blood into hepatocytes, which, along with MRP2-mediated efflux of PSP from hepatocytes into the bile, constitute the vectorial transport of PSP from the blood to the bile and may play a critical role in the biliary excretion of PSP.
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PubMed
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INTERNATIONAL JOURNAL OF PHARMACEUTICS
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2021
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IF 5.875
Qi Tian,Peng Quan,Liang Fang,Hui Xu,Chao Liu
A transdermal/topical absorption classification system for the characterization of the systemic or local delivery of drugs is the theoretical basis for the design and evaluation of transdermal/topical formulations. A classification system was established on the basis of the in vitro and in vivo skin permeation/retention behaviors of 12 model drugs. Drug skin penetration/retention exhibited a significant correlation with physicochemical parameters (log K O/W , molecular weight, polar surface area, and polarizability). Four representative model drugs were selected to clarify the molecular mechanisms of drug skin permeation/retention behaviors. The excellent lipid-disrupting effect and enhanced partitioning exhibited by propranolol (high permeation–high retention) and zolmitriptan (high permeation-low retention) via the formation of moderate H-bonds with skin lipids were proven by ATR–FTIR (Δ ν asCH2 > 2 cm −1 ), Raman spectra (ΔLPP, SPP > 0.2 nm), and X-ray scattering (lipid crystallization) and were supported by 13 C NMR results. The low lipid miscibility of zolmitriptan (Δ H zolmitriptan-lipid = 126.92 J/g) caused the low skin retention of this drug. High polarizabiltiy ( α = 38.5 × 10 −24 cm 3 ) and low H-bond forming capability ( E H-bond = 0 kcal/mol) restricted terbinafine (low permeation–high retention) in terms of partitioning ( k D-SC = 0.09). Diclofenac (low permeation–low retention) stabilized skin lipids through the formation of strong H-bonds and exhibited excessive drug–lipid miscibility (Δ H diclofenac-skin = −128.73 J/g), thus restricting its skin absorption. This classification system reflects the most essential drug skin absorption characteristics and provides a theoretical basis for the design of transdermal/topical formulations.
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