Cell Host & Microbe
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2026
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IF 23.2
Fengqing Lin,Lianglan Li,Yuanpeng He,Shujie Xu,Qiufen Mo,Wangsen Cao,Aikun Fu,Weiqin Li
The enteric microbiome and nutrient sensing within the small intestine play critical roles in maintaining host metabolic homeostasis. Although various bacteria and some fungi have established functions in nutrient metabolism, the role of the enteric virome remains poorly understood. Here, we demonstrate that the enteric virome significantly influences carbohydrate digestion and absorption independently of the bacteriome. Furthermore, the virome elicits distinct responses across different intestinal cell types. Specifically, it activates programs for carbohydrate digestion and absorption in intestinal epithelial cells while simultaneously stimulating antigen-presenting cells―Th17 cells―to produce interleukin-22, a cytokine that curbs excessive carbohydrate uptake. The virome’s effect on carbohydrate digestion and absorption—whether suppressive or stimulatory—depends on the presence or absence of immune surveillance. This intricate interplay between metabolic and immune pathways establishes the enteric virome as a pivotal regulator of metabolism and reveals the virome’s intrinsic capacity to autonomously modulate vertebrate intestinal physiology.
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Journal of Environmental Chemical Engineering
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2026
·Vol. 14
·期 2
·121835
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IF 7.5
Zongyu Yan,Mian Wu,Haoran Wang,Tong Xu,Shuaishuai Xin,Qianwen Wang,Guocheng Liu,Qinghua Yan,Yanlong Sun,Chengzhi Zhou,Ya-nan Zhang,Yanjun Xin
The widespread use of antiviral drugs (AVDs) has introduced novel challenges to water treatment processes in recent years. Therefore, it is urgently required to develop an efficient and sustainable technology for AVDs elimination. This study examines the effectiveness of UV-activated monochloramine (UV/NH 2 Cl) as a potent treatment modality for degrading AVDs. Results showed that the degradation rate constants ( k ) of ganciclovir, acyclovir, and stavudine were 0.381, 0.339, and 0.395 min −1 , respectively, under UV/NH 2 Cl conditions (NH 2 Cl/AVDs molar ratio = 40). Both •OH and reactive chlorine species are crucial for AVDs degradation. The degradation pathways of AVDs in the UV/NH 2 Cl system are primarily characterized by C-N bond cleavage, oxidation, hydroxylation, and chlorination. A comprehensive evaluation on the degradation kinetics of ten AVDs UV/NH 2 Cl revealed a correlation between the AVDs molecular structures and the degradation efficiency. The k of AVDs was positively correlated with the polarizability. This phenomenon can be attributed to the spatial electron distribution of AVDs with a high polarizability, which is more susceptible to alteration. Conversely, the k was inversely correlated with the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, as a smaller HOMO-LUMO gap makes the AVDs more conducive to electron exchange and subsequent participation in redox reactions. This study confirms the efficient abatement performance of the UV/NH 2 Cl system for AVDs, and simultaneously provides critical technical references and novel theoretical insights for the AVDs removal in real water matrices.
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ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2025
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IF 11.3
Zhenhua Dai,Jihong Xu,Jian Guan,Mingyang Feng,Yang Liu,Cuili Xing,Xuanying Cai,Shuchen Wang,Lushi Lian,Hongyu Dong,Zhiyong Jason Ren,Wei Shi,Alicia Kyoungjin An,Shifa Zhong,Xiaohong Guan
Chemical oxidation is pivotal in remediating organic pollutants in aquatic systems; however, it frequently yields transformation products (TPs) with potential toxicological profiles surpassing those of the parent pollutants. Comprehensive identification of these TPs is imperative for environmental risk assessment and optimization of oxidation methodologies. Traditional experimental approaches for TP elucidation are often hindered by substantial financial and technical constraints, limiting their applicability in high-throughput scenarios. Here, we introduce TP-Transformer, an advanced deep learning framework designed to predict both the structures of TPs and their corresponding formation pathways. Trained on Chem_Oxi_2K, a meticulously curated data set comprising 2780 pollutant degradation reactions, TP-Transformer achieved a notable accuracy of 86.28% in TP prediction. The model adeptly reconstructs complete degradation pathways, addressing the intricate challenge of pathway elucidation. Attention analyses indicate that the TP-Transformer discerns reactive moieties within substrates and correlates them with specific reaction conditions, emulating expert-level chemical reasoning. Experimental validations corroborate the model’s robustness, with accurate TP predictions ranging from 80.20 to 92.86% for five pollutants absent from the training data set. These findings underscore TP-Transformer’s potential to transform environmental chemistry by offering a scalable, precise, and efficient alternative to traditional experimental methodologies, thereby enhancing water treatment strategies and safeguarding ecological and human health.
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ACS ES&T Water
·
2026
·
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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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2022
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IF 5.518
Yanping Wei,Liangyuan Yao,Yiyong Wu,Xia Liu,Jinxia Feng,Jianhua Ding,Kanghua Li,Quanguo He
An electrochemical sensor based on ferrous molybdate (FeMoO 4 ) loaded graphene oxide composites was prepared and used for the ultrasensitive detection of Acyclovir in nanomolar concentrations. FeMoO 4 nanorods were prepared by hydrothermal method , and loaded with graphene oxide by ultrasonication. The materials were characterized by Scanning Electron Microscopy, X-ray diffractometer and Energy Dispersive Spectroscopy . The electrochemical sensor was fabricated by drop-coating method for the determination of Acyclovir. The sensing performance was investigated by cyclicvoltammetry, electrochemical impedance and linear sweep voltammogram. The results showed that the optimal signals appeared on the electrode. Furthermore, the oxidation peak current was linearly related to the Acyclovir concentration in the range of 0.1–10 μM and 10–100 mM. The limit of detection was 20 nM (S/N = 3). The sensor was used to analyze in process and in situ Acyclovir drug samples with good recoveries of 95.0–100.0% and excellent accuracy in nanomolarity.
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BIOMATERIALS
·
2021
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IF 12.479
Xiaoyu Xu,Zishan Zeng,Xin Ding,Ting Shan,Qiuxing Liu,Meixu Chen,Jie Chen,Meng Xia,Yuanfeng He,Zeqian Huang,Yanjuan Huang,Chunshun Zhao
Intratumoral upregulated reactive oxygen species (ROS) has been extensively exploited as exclusive stimulus to activate drug release for tumor-specific therapy. However, insufficient endogenous ROS and tumor heterogeneity severely restrict clinical translation of current ROS-responsive drug delivery systems. Herein, a tailored ROS-activatable self-amplifying supramolecular nanoprodrug was developed for reinforced ROS-responsiveness and highly selective antitumor therapy. A novel ROS-cleavable CA-based thioacetal linker CASOH was synthesized with ROS generator cinnamaldehyde (CA) incorporated into its molecular structure, to skillfully realize self-amplifying positive feedback loop of “ROS-activated CA release with CA-induced ROS regeneration”. CASOH was modified with a cytosine analogue gemcitabine (GEM) to obtain ROS-activatable self-immolative prodrug CAG, which could be selectively activated in tumor cells and further achieve self-boosting “snowballing” activation via ROS compensation, while keep inactive in normal cells. Through Watson-Crick nucleobase pairing (G≡C)-like hydrogen bonds , CAG efficiently crosslinked with a matched guanine-rich acyclovir-modified hyaluronic acid conjugate HA-ACV, to self-assemble into pH/ROS dual-responsive supramolecular nanoprodrug HCAG. With high stability, beneficial tumor targeting capacity and pH/ROS-responsiveness, HCAG nanoformulation exhibited remarkable in vivo antitumor efficacy with minimal systemic toxicity. Based on unique tumor-specific self-amplifying prodrug activation and Watson-Crick base pairing-inspired supramolecular self-assembly, this study provides an inspirational strategy of exploiting novel ROS-responsive nanoplatform with reinforced responsiveness and specificity for future clinical translation.
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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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TALANTA
·
2021
·
IF 6.057
Zhihua Song,Yanqin Song,Yinghao Wang,Jinqiu Liu,Yumeng Wang,Wen Lin,Yaqi Wang,Jinhua Li,Jiping Ma,Gangqiang Yang,Lingxin Chen
Nowadays, molecularly imprinted polymers (MIPs) coated silica stationary phases (SPs) have aroused great attention, owing to their good properties of high selectivity, good stability, facile synthesis procedure and low cost. In this study, zidovudine imprinted polymers coated silica stationary phases (MIPs/SiO 2 SPs) were synthesized by surface imprinting technique using zidovudine as the template molecule, methacrylic acid as the functional monomer , ethylene glycol dimethacrylate as the cross-linking agent, azobisisobutyronitrile as the initiator, and bare silica spheres (particle size, 5 μm; pore size, 20 nm) as substrates. In the process, reagents with low concentration were used to prepare thin layer of MIPs coating on the surface of silica microbeads. The properties of the materials were characterized by scanning electron microscope (SEM), fourier transform infrared spectrometer (FT-IR), carbon elemental analysis and N 2 adsorption-desorption experiment. The obtained SPs were packed into stainless steel columns (2.1 mm × 150 mm) via a slurry method. The prepared columns were applied for separation of nucleoside analogues with similar chemical structures and strong polarity. The retention mechanism of MIPs/SiO 2 SPs for nucleoside analogues was investigated carefully. And the chromatographic performances of the resulting MIPs based SPs were superior to those of the commercial SPs. Furthermore, the synthesized MIPs/SiO 2 SPs possessed great potentials in separation of ginsenosides . This investigation demonstrated that MIPs based SPs were successfully synthesized and provided a new approach to polar compounds separation and analysis.
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JOURNAL OF MEMBRANE SCIENCE
·
2021
·
IF 8.742
Muning Chen,Jian Lu,Jia Gao,Chao Yu,Wendong Xing,Jiangdong Dai,Minjia Meng,Yongsheng Yan,Yilin Wu
Powerful drivers exist for the exploitation of high natural life materials to selectively separate valuable substances or pollutants. Molecularly imprinted membranes (MIMs) possessing high selectivity and stability are highly desirable. Carefully designed Ribavirin (RBV)-imprinted membranes (RBVMIMs) with remarkable self-cleaning ability as well as anti-fouling and antibacterial surfaces enable selective separation of RBV from industrial effluent produced by the RBV process. (i) Self-cleaning ability was achieved by the photo-Fenton catalytic activity of RBVMIMs based on Fe 2 O 3 nanoparticles . (ii) Anti-fouling and antibacterial performance were provided by a multifunction hybrid coating of polydopamine (pDA)-quaternary ammonium compounds (QAC). (iii) Satisfactory selectivity was stemmed from the uniform presence of RBV-imprinted sites which synthesized by “thiol-ene click reaction” on the membrane surface. Nfioteworthily, the employment of two functional monomers (methacrylic acid and acrylamide) synergistically promoted selective recognition of RBV-imprinted sites. The results indicated that satisfactory rebinding selectivity (αRBV/ACV = 9.87, αRBV/AZT = 9.21, αRBV/LAM = 6.63 and αRBV/G = 13.59) and permselectivity ( β AZT/RBV = 11.361, β LAM/RBV = 12.518, β ACV/RBV = 30.918 and β G/RBV = 18.732) with negligible permselectivity fluctuation (<10%) of RBVMIMs suggested the potential of RBVMIMs in practical applications, which was further confirmed by superior performance in semi-practical experiments. Importantly, the development and modification strategies developed in this work not only guided selective separation of valuable constituents from complex environments but also provided the reference for the development of membrane with high natural life.
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JOURNAL OF DRUG TARGETING
·
2026
·
IF 4.7
Weishuo Ju,Ran Zhang,Jingxuan Guo,Shuo Li,Huimin Zhang,Huijia Song,Yanping Sun,Zibin Gao
Accurately and efficiently assessing drug permeability has emerged as a critical challenge in early drug discovery and development, prompting the development of various models. In this study, a polymer planar biomimetic membrane permeation assay (PPBMPA) model was established using a Transwell chamber, and its permeability assessment capability was evaluated using model drugs with high, medium, and low permeability. The underlying permeation mechanism was also investigated. The results demonstrated that the biomimetic membrane spontaneously differentiated into an intestinal-like structure comprising a hydrated layer, a polymersome layer, and a basal layer, thereby mimicking the sequential process of drug permeation across the mucus layer, intestinal epithelium, interstitial space, and into the bloodstream. This highly biomimetic permeation pattern enabled effective differentiation between high and low absorption drugs, exhibiting a strong correlation with Caco-2 permeability (R2 = 0.85). Collectively, these findings suggest that the novel PPBMPA model holds promise as a reliable tool for rapid and reproducible drug permeability prediction.
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JOURNAL OF CONTROLLED RELEASE
·
2023
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IF 10.8
Yu Cai,Liying Xin,Hui Li,Peng Sun,Chao Liu,Liang Fang
Hydrogels have broad application prospects in drug delivery due to their biocompatibility , high water content and three-dimensional structure. However, the regulation of drug release from hydrogels is an important issue in medical applications. At the same time, water also has an important impact on drug release. In this study, a hydrogel with hydrogen bond and ion dipole interaction (PAHDP) was prepared by introducing catechol group into polymer to regulate drug release. Ten model drugs were selected to explore the relationship and mechanism of action among polymer, drug and water. The results showed that PAHDP had excellent adhesion and safety. Drug release test showed that 10 kinds of drugs had different drug release trends, and the release amount was negatively correlated with drug polarizability and LogP. In addition, in vitro transdermal test and pharmacokinetic results showed that the hydrogel based on PAHDP achieved increased or decreased blood drug concentration, and the area under the concentration-time curve ( AUC ) of >1.5 times showed its potential to regulate drug release. The mechanism study showed that the hydrogen bond and ion dipole interaction between polymer and drug were affected by drug polarizability and LogP, and the distribution of water in different states was changed. Hydrogen bond and ion dipole interactions synergistically control drug release. Therefore, the mussel inspired PAHDP hydrogel has the potential to become a controllable drug delivery system .
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CRYSTAL GROWTH & DESIGN
·
2023
·
IF 3.8
Fan-Zhi Bu,Yue-Ming Yu,Min Zhang,Cui-Wei Yan,Zhi-Yong Wu,Yan-Tuan Li
To achieve new breakthroughs in the development of synergistic antiviral medication cocrystals of acyclovir (AYL) with phenolic acids, a cocrystallization-driven strategy for optimizing the physicochemical properties and increasing the antiviral efficacy is proposed. This method emphasizes the structural features and medicinal value together with the dominant properties of gallic acid (GLA) to promote both solubility and permeability of AYL by cocrystallizing GLA into AYL’s lattice; meanwhile, the antiviral ability of ALY can be greatly increased by activating the antiviral potential of GLA and utilizing the synergistic antiviral activity of both in cocrystal formation. Guided by this idea, the first AYL-phenolic acid cocrystal, AYL-GLA-2H2O, is orientationally constructed and fully characterized. The accurate cocrystal structure revealed by single-crystal X-ray diffraction indicates that the entry of GLA into the AYL lattice has disrupted the homodimer of AYL itself, leading to the formation of a hydrophobic heterodimer between AYL and GLA molecules, coupled with an aqueous tetramer, thus endowing the cocrystal with both hydrophilic and hydrophobic characteristics. Such structural feature induces a concurrent enhancement in dissolubility and permeability of the cocrystal compared with the parent medicine. These observations can be strongly supported by density functional theory-based theoretical investigations involving molecular electrostatic potential, Hirshfeld surface, frontier molecular orbital, and Gibbs solvation free energy. Interestingly, the perfected AYL’s properties along with the stimulated antiviral activity of GLA enable the two ingredients in the cocrystal to display synergistic antiviral activity against the herpes simplex virus with a cooperativity index of less than 1, contributing to enhancing the antiviral ability. Thus, this contribution not only highlights the effectiveness of combining theory with experiment to solve AYL’s issues via the cocrystallization-driven method but fills in the gaps from previous studies on AYL-phenolic acid cocrystals with synergistic antiviral effects.
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