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SCIENCE OF THE TOTAL ENVIRONMENT · 2024 · IF 8.2

Adsorption and desorption of parachlormetaxylenol by aged microplastics and molecular mechanism

Jiaqi Zhang,Guanghua Lu,Min Wang,Peng Zhang,Keqiang Ding

The addition of active ingredients such as antibacterial agent and non-active ingredients such as plastic microspheres (MPs) in personal care products (PCPs) are the common pollutants in the aquatic environment, and their coexistence poses potential threat to the aquatic ecosystem. As a substitute for the traditional antibacterial ingredients triclosan and triclocarban, the usage of parachlormetaxylenol (PCMX) is on the rise and is widely used in PCPs. In this study, the adsorption and desorption behaviors of PCMX were investigated with two typical MPs, polyvinyl chloride (PVC) and polyethylene (PE), and the effects of different aging modes and molecular mechanisms were explored through batch experiments and density functional theory calculation. Both laboratory aging and field aging resulted in surface wrinkles of MPs, along with an increased proportion of oxygen-containing functional groups (C O, -OH). At the same aging time, the degree of laboratory aging was stronger than that of field aging, and the aging degree of PVC was greater that of PE. The aging process enhanced the adsorption capacity of MPs for PCMX. The equilibrium adsorption capacity of PVC increased from 3.713 mg/g (virgin) to 3.823 mg/g (field aging) and 3.969 mg/g (laboratory aging), while that of PE increased from 3.509 mg/g to 3.879 mg/g and 4.109 mg/g, respectively. Meanwhile, aging also resulted in an increase in the desorption capacity of PCMX from PVC and PE. Oxygen-containing functional groups in aged MPs could serve as adsorption sites for PCMX and improved the electrostatic adsorption capacity. Oxygen-containing groups generated on the surface of aged MPs formed hydrogen bonding with the phenolic hydroxyl groups of PCMX, which became the main driving force for adsorption. Our results reveal the potential impact and mechanism of aging on the adsorption of PCMX by MPs, which provides new insights for the interaction mechanism between environmental MPs and associated contaminants.

CAS / MDL: 88-04-0
研究领域: 环境科学 · 化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2022 ·Vol. 11 ·期 13 ·1839 · IF 5.561

Phenolic Acid Profiling of Lactarius hatsudake Extracts, Anti-Cancer Function and Its Molecular Mechanisms

Qiao Yang,Xiaoyi Zhang,Huini Qin,Feijun Luo,Jiali Ren

Cancer is still the leading cause of death across the world, and there is a lack of efficient therapies.Lactarius hatsudakeis a mushroom with a food and medicine homology that contains numerous biologically active substances. This study aimed to investigate the composition of extracts fromLactarius hatsudake(L. hatsudake) and their anti-cancer function and molecular mechanisms. Our results showed that the total phenolic content ofL. hatsudakeextracts was 139.46 ± 5.42 mg/g. The following six phenolic compounds were identified fromL. hatsudakeextracts by HPLC and UPLC-QTOF/MS: gallic acid, pyrogallol, chlorogenic acid, ferulic acid, myricetin, and cinnamic acid. Colorectal cancer cell HCT116 and hepatic cancer cell HepG2 were used to evaluate the anti-cancer function of theL. hatsudakeextracts. Compared with HepG2 cells, theL. hatsudakeextracts showed stronger anti-cancer activity against HCT116 cells and these were used to study molecular mechanisms. The results indicated that theL. hatsudakeextracts could arrest the cancer cell cycle and inhibit cancer cell proliferation, which may be mediated by the MAPK/NFκB/AP-1 signalling pathway; theL. hatsudakeextracts also promoted cancer cell apoptosis through a mitochondrial-dependent pathway. Taken together, these findings demonstrate thatL. hatsudakeethanol extracts contain six main phenolics and illustrate the remarkable potentiality ofL. hatsudakeas a source of natural phenolics for cancer prevention and as an adjuvant in the treatment of functional foods.Keywords:Lactarius hatsudake;phenolic acids;anti-cancer;molecular mechanism

研究领域: 药用真菌学 · 肿瘤生物学 · 植物化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2016 ·Vol. 17 ·期 11 ·1934 · IF 3.257

Design of New Antibacterial Enhancers Based on AcrB’s Structure and the Evaluation of Their Antibacterial Enhancement Activity

Yi Song,Rongxin Qin,Xichun Pan,Qin Ouyang,Tianyu Liu,Zhaoxia Zhai,Yingchun Chen,Bin Li,Hong Zhou

Previously, artesunate (AS) and dihydroartemisinine 7 (DHA7) were found to have antibacterial enhancement activity againstEscherichia colivia inhibition of the efflux pump AcrB. However, they were only effective againstE. colistandard strains. This study aimed to develop effective antibacterial enhancers based on the previous work. Our results demonstrate that 86 new antibacterial enhancers were designed via 3D-SAR and molecular docking. Among them, DHA27 had the best antibacterial enhancement activity. It could potentiate the antibacterial effects of ampicillin against not onlyE. colistandard strain but also clinical strains, and of β-lactam antibiotics, not non-β-lactamantibiotics. DHA27 could increase the accumulation of daunomycin and nile red withinE. coliATCC 35218, but did not increase the bacterial membrane permeability. DHA27 reducedacrB’s mRNA expression ofE. coliATCC 35218 in a dose-dependent manner, and its antibacterial enhancement activity is related to the degree ofacrBmRNA expression inE. coliclinical strains. The polypeptides from AcrB were obtained via molecular docking assay; the pre-incubated polypeptides could inhibit the activity of DHA27. Importantly, DHA27 had no cytotoxicity on cell proliferation. In conclusion, among newly designed antibacterial enhancers, DHA27 had favorable physical and pharmacological properties with no significant cytotoxicity at effective concentrations, and might serve as a potential efflux pump inhibitor in the future.Keywords:antibacterial enhancer;AcrB inhibitor;DHA27;molecular mechanism

研究领域: 微生物学 · 药理学
✓ 已验证 DOI PubMed 高影响因子
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Frontiers in Plant Science · 2023 · IF 5.6

Research advance on cold tolerance in chrysanthemum

Chen Qingbing,Gao Kang,Xu YuRan,Sun YaHui,Pan Bo,Chen Dongliang,Luo Chang,Cheng Xi,Liu Hua,Huang Conglin

Chrysanthemums are one of the top ten most well-known traditional famous flowers in China and one of the top four cut flowers worldwide, holding a significant position in landscape gardening. The cold temperatures of winter restrict the cultivation, introduction, and application of chrysanthemum, resulting in high costs for year-round production. This severely impacts the ornamental and economic value of chrysanthemum. Therefore, research on cold tolerance is of vital importance for guiding chrysanthemum production and application. With the development of genomics, transcriptomics, metabolomics, and other omics approaches, along with high-throughput molecular marker technologies, research on chrysanthemum cold tolerance has been continuously advancing. This article provides a comprehensive overview of the progress in cold tolerance research from various aspects, including chrysanthemum phenotype, physiological mechanisms, the forward genetics, molecular mechanisms, and breeding. The aim is to offer insights into the mechanisms of cold tolerance in chrysanthemum and provide reference for in-depth research and the development of new cold tolerance chrysanthemum varieties.

研究领域: 植物学 · 遗传学 · 园艺学
✓ 已验证 DOI 高影响因子
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ChemistrySelect · 2024 ·Vol. 9 ·期 39 ·e202402554 · IF 1.9

The Performance of Amino- and Hydroxy-Substituted Benzothiazoles in Inhibiting the Corrosion of Carbon Steel in HCl and the Molecular-Level Mechanisms

Yu-chen Zhang,Xuan Liang,Rui Ding,An-lan Ji,Yu-han Wang,Ming-di Lei,Jie Fu,Jie Liu

Graphical The corrosion inhibition of NH 2 and OH substituted benzothiazoles on carbon steel in 0.5 mol/L HCl was investigated. 0.0010 mol/L 2-amino-6-hydroxybenzothiazole demonstrated efficient and persistent performance. The adsorption followed Freundlich-Langmuir isotherm. The OH at 6th position extended negative potential region and enhanced coordination activity, resulting in favorable orbital distribution for flat adsorption and feedback bonds. In the pickling process and acidizing program for oil wells, the acidic corrosion of metals is a problem that needs to be addressed. Various acid corrosion inhibitors have been studied and used to mitigate the acidic corrosion of carbon steel. In this paper, the corrosion inhibition of 2-aminobenzothiazole (2 N-BT), 2-amino-4-hydroxybenzothiazole (2 N4O-BT), and 2-amino-6-hydroxybenzothiazole (2 N6O-BT) on carbon steel in 0.5 mol/L HCl was investigated using electrochemical and quantum chemical methods. All three molecules exhibited corrosion inhibition effects. Compared to 2 N-BT, 2 N4O-BT and 2 N6O-BT showed less sensitivity to the environmental conditions and the surface state of the metal. Among them, 0.0010 mol/L 2 N6O-BT demonstrated the highest and most persistent corrosion inhibition, exhibiting a mixed inhibition mechanism with cathodic inhibition dominance. The adsorption of 2 N6O-BT on the carbon steel surface was found to be non-uniform, preferentially adsorbing at certain active sites on the surface, following Freundlich-Langmuir thermodynamic characteristics. It showed initial strongly adsorbed points and weakly adsorbed regions. With continued adsorption of 2 N6O-BT, the differences between strongly adsorbed points and weakly adsorbed regions decreased. The introduction of hydroxyl groups, especially in 2 N6O-BT, extended the negative potential region and enhanced the coordination activity of the molecule, generating the orbital distribution that was advantageous to flat adsorption and the formation of feedback bonds. This provided a molecular structural basis for the excellent corrosion inhibition properties of 2 N6O-BT.

研究领域: 材料科学 · 电化学 · 量子化学
✓ 已验证 产品关联 DOI 高影响因子
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POLYMER · 2015 · IF 3.562

Mechanisms of oligoguluronate modulating the calcium-induced gelation of alginate

Hua Liao,Wenjia Ai,Ke Zhang,Makoto Nakauma,Takahiro Funami,Yapeng Fang,Katsuyoshi Nishinari,Kurt I. Draget,Glyn O. Phillips

The modulatory effect of oligoguluronate (GB) on the gelation of macromolecular alginate (ALG) was investigated by means of dynamic oscillatory rheology, fluorescence and AFM measurements. An inhibitory effect in the range of 0.25 <  R (Ca/G) < 0.60 and a promotive effect in the range of R  > 0.60, were quantified. The two effects are thought to be associated with the different molecular events that dominate the gelation of alginate, namely, egg-box dimerization and lateral aggregation. Quantitative analysis indicates a competitive binding rather than a screening binding during egg-box dimerization, which is responsible for the inhibitory effect in the lower Ca concentration regime. On the other hand, in the higher Ca concentration regime where alginate gelation is predominated by chain lateral aggregation, the dimers formed by GB could act as a binder to enhance the aggregation of alginate dimers, resulting in a promotive effect on alginate gelation. The results are consistent with the microstructures observed by AFM.

CAS / MDL: 90-80-2
研究领域: 食品科学 · 生物化学
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JOURNAL OF HAZARDOUS MATERIALS · 2025 · IF 11.3

Physiological responses and adaptive mechanisms of the harmful algal bloom species Heterosigma akashiwo to naphthalene exposure

Dan Huang,Hao-Yun Zhang,Hua-Jun Wang,Hong-Jia Huang,Shuang Liu,Chu-Yi Qiu,Cai-Qin Cheng,Yun Huang,Zhaohe Luo,Wei-Dong Yang,Hong-Ye Li,Xiao-Fei Zheng,Da-Wei Li

Polycyclic aromatic hydrocarbons (PAHs), especially naphthalene (Nap), pose a significant threat to coastal ecosystems and may contribute to the occurrence of harmful algal blooms (HABs). However, the response mechanisms of HAB species to PAH pollution remain unclear. This study investigated the physiological and molecular responses of the HAB species Heterosigma akashiwo to varying Nap concentrations. Low concentrations (1–10 μg/L) promoted growth, while high concentrations (20–1000 μg/L) inhibited growth, causing abnormal cell morphology and oxidative stress. Within 96 h, H. akashiwo removed 82.38 % (10 μg/L) and 88.93 % (100 μg/L) of Nap, mainly through biodegradation and intracellular accumulation. Transcriptomic analysis revealed that H. akashiwo employs a multifaceted adaptive strategy to cope with Nap stress. Key mechanisms include the upregulation of calcium signaling, transcription factors (e.g., zinc finger protein C2H2, myeloblastosis transcription factor, basic leucine zipper transcription factor), heat shock proteins (e.g., HSP40), and fatty acid desaturase (FAD), enhancing stress tolerance through detoxification, antioxidant responses, and membrane integrity. Activation of peroxisomal and oxidative phosphorylation genes indicates improved detoxification and energy metabolism. Differential expression of genes in the PI3K-Akt pathway reveals dose-dependent growth responses, with low concentrations promoting proliferation and high concentrations inhibiting growth. These findings offer insights into H. akashiwo ’s adaptive responses to Nap, aiding ecological risk assessment and bioremediation strategies for PAH pollution in marine environments.

CAS / MDL: 25561-30-2
研究领域: 海洋生物学 · 环境科学 · 生态学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Frontiers in Oncology · 2021 · IF 6.244

Detailed Molecular Mechanism and Potential Drugs for COL1A1 in Carboplatin-Resistant Ovarian Cancer

Yang Feng,Zhao Ziyu,Cai Shaoyi,Ling Li,Hong Leying,Tao Liang,Wang Qin

Carboplatin resistance in ovarian cancer (OV) is a major medical problem. Thus, there is an urgent need to find novel therapeutic targets to improve the prognosis of patients with carboplatin-resistant OV. Accumulating evidence indicates that the gene COL1A1 (collagen type I alpha 1 chain) has an important role in chemoresistance and could be a therapeutic target. However, there have been no reports about the role of COL1A1 in carboplatin-resistant OV. This study aimed to establish the detailed molecular mechanism of COL1A1 and predict potential drugs for its treatment. We found that COL1A1 had a pivotal role in carboplatin resistance in OV by weighted gene correlation network analysis and survival analysis. Moreover, we constructed a competing endogenous RNA network (LINC00052/SMCR5-miR-98-COL1A1) based on multi-omics data and experiments to explore the upstream regulatory mechanisms of COL1A1. Two key pathways involving COL1A1 in carboplatin resistance were identified by co-expression analysis and pathway enrichment: the “ECM-receptor interaction” and “focal adhesion” Kyoto Encyclopedia of Genes and Genomes pathways. Furthermore, combining these results with those of cell viability assays, we proposed that ZINC000085537017 and quercetin were potential drugs for COL1A1 based on virtual screening and the TCMSP database, respectively. These results might help to improve the outcome of OV in the future.

研究领域: 肿瘤学 · 分子生物学 · 生物信息学
✓ 已验证 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2020 · IF 4.006

Molecular mechanism of the role of Mare Nectaris in the Feng-Flavor Baijiu aging

Wei Jia,An Du,Zibian Fan,Rong Zhang,Yunlong Li,Qingyun Shi,Lin Shi,Xiaogang Chu

A special storage container called Mare Nectaris bears a close relationship with Feng-flavor Baijiu quality during aging. The goal of this work is to unveil molecular mechanism of the role of Mare Nectaris in the Feng-flavor Baijiu aging as well as establishes a classification method of vintage Baijiu. Based on ultra high performance liquid chromatography quadrupole-orbitaltrap high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), most micromolecules especially nonvolatile molecules in Baijiu can be accurately identified and in total of 45 characteristic molecules were discovered through application of the principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA), variable importance in projection (VIP). With the increase of aging year, in addition to 5-fluoro-2,3,4-three chlorobenzoic acid decreased, the other 44 components showed remarkable up-regulation, concretely comprising 10 kinds of esters, 6 organic acids, 8  amino acids , 11 bioactive components and 9 other components. By utilizing artificial neural network recognition model which used 45 characteristic molecules as inputs and 8 groups various aging years as outputs, the prediction accuracy of Baijiu vintage was up to 100%.

研究领域: 食品科学 · 分析化学
✓ 已验证 DOI 高影响因子
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MARINE POLLUTION BULLETIN · 2020 · IF 4.049

New insight into the molecular basis of chromium exposure of Litopenaeus vannamei by transcriptome analysis

Lefei Jiao,Tianmeng Dai,Tinglan Cao,Min Jin,Peng Sun,Qicun Zhou

Heavy metal pollution arising from agricultural and industrial activities poses a significant threat to the aquatic environment, especially the increasing levels of chromium (Cr) that is exacerbating marine pollution. Given the economic importance of the Pacific white shrimp Litopenaeus vannamei ( L. vannamei ), understanding the impact of marine Cr pollution is deemed to be significant. In this study, we used the transcriptome sequencing (RNA-seq) technique to characterize the molecular mechanism of Cr exposure in L. vannamei . Gene ontology enrichment analysis showed substrate-specific and ion transport-related functions were mainly influenced by Cr exposure. We further identified genes involved in protein digestion and absorption (PEPT1, BAT1, MDU1), chemical carcinogenesis (GST and UGTs), ABC transporters (ABCC2), apoptosis (CAPN1, CASP10, PARP), implying the potentially Cr disintoxication mechanisms in L. vannamei . Genes within pancreatic secretion (ALT, LDH), lysosome (CTSL and HEXB), and peroxisome (ACOX1, ECI2, NUDT12) pathways implied the potentially Cr toxicity mechanisms in L. vannamei .

研究领域: 环境科学 · 分子生物学
✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF HAZARDOUS MATERIALS · 2024 · IF 12.2

Distinct baseline toxicity of volatile organic compounds (VOCs) in gaseous and liquid phases: Mixture effects and potential molecular mechanisms

Shuo Yang,Zhiwei Shao,Ling N. Jin,Liuwen Chen,Xiang Zhang,Mingliang Fang,Dan Li,Jianmin Chen

Volatile organic compounds (VOCs) are significant pollutants found in various environments, posing health risks. Traditionally, the gaseous VOCs are adsorbed and eluted in liquid phases, and then subjected to toxicity testing, which deviates from the actual exposure scenarios of gaseous VOCs. How the physical states of VOCs (gaseous or liquid) affect their toxicity has not been well understood. This study examined the baseline toxicity of VOCs in both gaseous and liquid phases using a self-assembled passive colonization hydrogel (SAPCH) with luminous bacteria ( Vibrio fischeri ). The findings revealed that gaseous VOCs exhibited higher baseline toxicity than their liquid counterparts, attributed to the higher free energy and electronic activity of gaseous VOC molecules. Furthermore, the study elucidated that the differences in electronic transitions and energy gaps significantly impact the combined toxicity of VOC mixtures in different phases. Understanding these differences is crucial for assessing the real-world impact of VOCs on health and the environment.

研究领域: 环境生物学 · 毒理学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Nature Communications · 2025 ·Vol. 16 ·期 1 ·1-16 · IF 15.7

Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action

Li Yang,Lu Xuteng,Cheng Xufeng,Xia Keyu,Hu Junyan,Wang Peiyu,Pang Peiyuan,Gao Bomin,Sun Demeng,Zhang Zhuzhen,Li Dongdong,Deng Zengqin,Tian Changlin,Xie Chang,Yao Jing

Our skin safeguards the body homeostasis for health and also provides psychological consolation in social life. Natural essential oils are widely used for skin maintenance, while the molecular target and mechanism of action remain largely unknown. Here, we report that citronellal, a plant-derived acyclic monoterpene commonly used for personal care, stimulates skin renewal by promoting keratinocyte proliferation through the activation of TRPV3. We further present cryo-EM structures of human TRPV3 in complex with acyclic monoterpenes, including citronellal, citral, linalool and isodihydrolavandulal, determined at resolutions of 3.1-3.6 Å. Our structural and functional analysis unmasks consistent yet subtly different binding modes within the TRPV3 vanilloid site. Our results elucidate that essential oil ligands activate TRPV3 channels by competitively displacing endogenous lipids from the vanilloid site. Together, these findings identify TRPV3 as the molecular target of natural acyclic monoterpenes for skin renewal, and delineate the structural basis of action, thus being instrumental for moving forward skin healthcare.

研究领域: 生物化学 · 结构生物学 · 皮肤病学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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