SCIENCE OF THE TOTAL ENVIRONMENT
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2024
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IF 8.2
Shujun Yin,Yafang Liu,Chenhui Wei,Dongqiang Zhu
Freshwater lakes serve as active conduits for processing terrestrial dissolved organic matter (DOM), playing a crucial role in global carbon cycle . Little attention has been paid to how hydrological connectivity to a large river would affect the molecular signatures of DOM in lakes. Here, we systematically characterized and compared the molecular signatures of DOM in surface waters of four large freshwater lakes in the middle and lower Changjiang River basin that are directly connected to the river (Lake Dongting and Lake Poyang, referred to as Lake connected ) or indirectly connected to the river (Lake Chao and Lake Tai, referred to as Lake nonconnected ). The DOM in Lake connected was found to have similar total organic carbon (TOC)-normalized contents and characteristics of lignin phenols to the DOM in surface waters from the upstream Changjiang river, indicating allochthonous/terrestrial sources from riverine inputs. As indicated by the UV–vis and fluorescence analyses, the DOM in Lake connected overall had higher aromaticity and larger average molecular weight as well as stronger allochthonous feature compared to the DOM in Lake nonconnected . Consistently, the FT-ICR MS analysis revealed that the DOM in Lake connected had higher molecular diversity, higher unsaturation degree, and larger proportions of highly aromatic compounds. In contrast, the DOM in Lake nonconnected had larger proportions of lipids and peptide-like structures, but lower proportions of aromatic compounds, which could be ascribed to the enhanced autochthonous production and photodegradation due to pollution and eutrophication as well as longer water residence time. The results highlight the strong impacts of the hydrological connectivity to a large river on the molecular signatures of lake DOM. Capsule The hydrological connectivity of the lakes to the Changjiang River has strong impacts on the molecular signatures of lake DOM.
研究领域:
生态学
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环境科学
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PubMed
高影响因子
FUEL
·
2022
·
IF 8.035
Yang-Chao Zhang,Xing Fan,Fei Wang,Chu-Fan Wang,Guo-Sheng Li,Yang-Yang Xu,Wen-Long Mo,Xian-Yong Wei,Feng-Yun Ma
Two coal samples with different coalification degrees were extracted by ultrasonic extraction (UE), thermal dissolution (TD) at 300 °C, and ultra-high pressure extraction (UHPE) at 300 MPa using three solvents, methanol, toluene and acetone. Orbitrap mass spectrometry (MS) was used to analyze coal extracts and molecular characteristics were further elucidated by in-source collision activated dissociation, a tandems MS method. UHPE exhibited an excellent extraction yield, which is related to the acquirement of compounds with long-chain structures. Unlike UE and TD, more compounds containing 3 to 4 oxygen atoms per molecule were extracted by UHPE method. Oxygen distribution index indicates most oxygen atoms in UHPE extract exist on the side chains of aromatic structures. Therefore, advanced separation method reveals that multiple oxygen-containing functional groups (3 and 4 oxygen atoms) on side chains should be the major structure of organic oxygenates in low-rank coals, which is a new knowledge of coal chemistry.
研究领域:
煤化学
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分析化学
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DOI
高影响因子
Journal of Chemical Information and Modeling
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2014
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IF 4.068
Osman F. Güner,J. Phillip Bowen
For over a century since the early 1900s, Paul Ehrlich was credited with originating the concept of pharmacophores. This was challenged by John Van Drie in 2007 due to the fact that Ehrlich did not use the word “pharmacophore” in his writings. Van Drie claimed that the attribution of the pharmacophore concept to Ehrlich was due to an erroneous citation made by Ariëns in a 1966 paper, and instead he claimed, Lemont B. Kier developed the pharmacophore concept (in the modern sense, as defined by the IUPAC) during 1967–1971. There are two separate issues that may have triggered this conflict. The first one is the shift in the meaning of pharmacophore from “chemical groups” to patterns of “abstract features” of a molecule that are responsible for a biological effect. Indeed, the original use of the term is different than the current definition proposed by the IUPAC. The term was redefined in 1960 by Schueler, and this modification formed the basis of IUPAC’s modern definition. The second issue is the origin of the “concept” of pharmacophore. While Ehrlich’s contemporaries have consistently attributed the origin of the concept to him, the issue is further complicated by the fact that Ehrlich did not use the term pharmacophore in his papers. He, instead, referred to the features of a molecule that are responsible for biological effects as toxophores, while his contemporaries were using the term pharmacophore for the same features. In this paper, we resolve any doubts about the origins of the pharmacophore concept. Our research points to Paul Ehrlich’s 1898 paper for originating the concept, which identifies peripheral chemical groups in molecules responsible for binding that leads to the subsequent biological effect, and to Schueler’s 1960 book that extends the concept to the modern definition where spatial patterns of abstract features of a molecule define the pharmacophore and are ultimately responsible for the biological effect.
研究领域:
药物化学
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生物信息学
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医学历史
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DOI
PubMed
高影响因子
JOURNAL OF PROTEOME RESEARCH
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2025
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IF 3.6
Xing Zhou,Zhaokai Zhou,Xiaohan Qin,Jian Cheng,Yongcheng Fu,Yuanyuan Wang,Jingyue Wang,Pan Qin,Da Zhang
Neuroblastoma (NB) remains associated with high mortality and low initial response rate, especially for high-risk patients, thus warranting exploration of molecular markers for precision risk classifiers. Through integrating multiomics profiling, we identified a range of hub genes involved in cell cycle and associated with dismal prognosis and malignant cells. Single-cell transcriptome sequencing revealed that a subset of malignant cells, subcluster 1, characterized by high proliferation and dedifferentiation, was strongly correlated with the hub gene signature and orchestrated an immunosuppressive tumor microenvironment (TME). Furthermore, we constructed a robust malignant subcluster 1 related signature (MSRS), which was an independent prognostic factor and superior to other clinical characteristics and published signatures. Besides, TME differences conferred remarkably distinct therapeutic responses between high and low MSRS groups. Notably, polo-like kinase-1 (PLK1) was one of the most crucial contributors to MSRS and remarkably correlated with malignant subcluster 1, and PLK1 inhibition was effective for NB treatment as demonstrated by in silico analysis and in vitro experiments. Overall, our study constructs a novel molecular model to further guide the clinical classification and individualized treatment of NB.
研究领域:
肿瘤学
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生物信息学
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免疫学
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DOI
PubMed
高影响因子
Insects
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2020
·Vol. 11
·期 11
·777
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IF 2.22
Chengfeng Lei,Jian Yang,Jia Wang,Jia Hu,Xiulian Sun
Simple SummaryThe fall armyworm is a notorious lepidopteran pest that consumes many economically important crops. Its recent invasion into China threatens crops in over 19 provinces. This species is susceptible to its homologous nucleopolyhedrovirus (Spodoptera frugiperdamultiple nucleopolyhedrovirus, or SfMNPV). Selection of indigenous isolates that are adaptable in each geographical region is important for developing a virus-based pesticide. In this study, an SfMNPV field isolate was obtained from a natural population of the fall armyworm in Hubei, China. Two genotypes were cloned from the field isolate, and one genotype, SfHub-A, which had similar activity to the field isolate and produced significantly more progeny viruses, was considered to be a suitable strain for the commercial production of SfMNPV. This information will be valuable for developing a virus-based pesticide against fall armyworm in China.AbstractThe fall armyworm,Spodoptera frugiperda, is a new invading pest in China. The baculovirusSpodoptera frugiperdamultiple nucleopolyhedrovirus (SfMNPV) is a pathogenic agent of the fall armyworm and a potential agent for its control in integrated pest management strategies. In this work, we analyze the molecular and biological characteristics of an SfMNPV isolate collected from maize in China (SfMNPV-Hub). Two genotypes were further isolated from SfMNPV-Hub by an in vivo cloning method. The PstI profile of one genotype (SfHub-A) was similar to genotype A of the SfMNPV Colombian isolate, and the other (SfHub-E) was similar to genotype E of the Colombian isolate. The bioactivity of SfHub-A against second-instarS. frugiperdalarvae was not significantly different from that of SfMNPV-Hub, whereas SfHub-E was 2.7–5.5 fold less potent than SfMNPV-Hub. The speed of kill of SfHub-E was quicker than SfMNPV-Hub, while SfHub-A acted slower than SfMNPV-Hub. Occlusion body (OB) production of SfHub-A in anS. frugiperdacadaver was significantly higher than that of SfMNPV-Hub, while SfHub-E yielded far fewer occlusion bodies (OBs) in the host larvae. These results provide basic information for developing a virus-based pesticide against the invading pestS. frugiperda.Keywords:SfMNPV;field isolate;genotype;molecular characterization;biological activity;OB yield
研究领域:
昆虫学
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病毒学
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农学
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PubMed
高影响因子
Journal of Environmental Chemical Engineering
·
2025
·Vol. 14
·期 1
·120873
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IF 7.2
Xuan Yang,Xin Wang,Yunyan Ma,Baojie Liu,Shuangquan Yao,Chengrong Qin,Shuangfei Wang,Chen Liang
Bamboo nodes and internodes exhibit markedly distinct structural and functional characteristics, and variations in their lignin–carbohydrate complexes (LCCs) directly affect bamboo processing and utilization. In this study, the structural features and antioxidant activities of LCCs extracted from bamboo nodes and internodes were systematically compared. The results demonstrated that node LCCs possessed higher molecular weights (2853–3529 g·mol −1 ), pronounced enrichment of syringyl (S) units, higher levels of p -coumarate ( p CA) modification, and more abundant phenyl glycoside linkages, resulting in highly condensed and thermally stable lignin–polysaccharide networks. In contrast, internode LCCs contained higher proportions of guaiacyl (G) units and ferulate (FA) linkages, exhibited more uniform structural features, and were more susceptible to thermal decomposition. Antioxidant assays further revealed that LCC-Ac displayed IC 50 values of 0.57–0.58 mg·mL −1 against DPPH radicals and 3.88–5.74 μg·mL −1 against ABTS radicals, which were significantly lower than those of the other LCC fractions. Overall, this study elucidates the structure–function relationships of LCCs from bamboo nodes and internodes, providing a theoretical basis for understanding bamboo cell wall recalcitrance and for the development of bamboo-based functional materials.
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高影响因子
ANALYTICAL CHEMISTRY
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2024
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IF 6.7
Junrong Li,Meiqin Li,Alain Wuethrich,Rui Guan,Lihui Zhao,Cong Hu,Matt Trau,Yao Sun
Development of molecular diagnostics for lung cancer stratification and monitoring is crucial for the rational planning and timely adjustment of treatments to improve clinical outcomes. In this regard, we propose a nanocavity architecture to sensitively profile the protein signature on small extracellular vesicles (sEVs) to enable accurate, noninvasive staging and treatment monitoring of lung cancer. The nanocavity architecture is formed by molecular recognition through the binding of sEVs with the nanobox-based core–shell surface-enhanced Raman scattering (SERS) barcodes and mirrorlike, asymmetric gold microelectrodes. By imposing an alternating current on the gold microelectrodes, a nanofluidic shear force was stimulated that supported the binding of sEVs and the efficient assembly of the nanoboxes. The binding of sEVs further induced a nanocavity between the nanobox and the gold microelectrode that significantly amplified the electromagnetic field to enable the simultaneous enhancement of Raman signals from four SERS barcodes and generate patient-specific molecular sEV signatures. Importantly, evaluated on a cohort of clinical samples (n = 76) on the nanocavity architecture, the acquired patient-specific sEV molecular signatures achieved accurate identification, stratification, and treatment monitoring of lung cancer patients, highlighting its potential for transition to clinical utility.
研究领域:
肿瘤学
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纳米技术
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生物医学工程
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分子诊断
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）