Inorganic Chemistry Frontiers
·
2023
·Vol. 10
·期 16
·4711-4718
·
IF 7
Jingjing Zhang,Ruqing Wei,Daqing Yang,Ying Wang,Bingbing Zhang
Nonlinear optical (NLO) materials have been applied in many high technology fields. In this work, the first-principles high-throughput screening pipeline (FHSP) has been used for searching NLO materials from the silicate system. 253 silicates collected in the Inorganic Crystal Structural Database (ICSD) have been successfully calculated. Among them, 8 crystals were screened out after two-step evaluation. Finally, 3 compounds were selected for synthesis after comprehensive investigation. The SHG intensities tested using the Kurtz–Perry method of KNbSi2O7, PbZnSiO4, and Na2TiSiO5 are 6.7, 2.9, and 2.8 times that of KDP, respectively. Their UV absorption edges are 243 nm, 276 nm, and 280 nm, respectively. This work provides a full view of silicates as NLO materials and obtains excellent candidates for the next step of development.
研究领域:
材料科学
·
计算化学
·
晶体学
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DOI
高影响因子
Journal of Pharmaceutical Analysis
·
2025
·
IF 8.9
Yuexiang CHANG,Hao TIAN,Jia-Huan QU,Jiaming YUAN,Rongkai GU,TingTing ZHANG,Jincai WANG,Zhengjin JIANG
The N -terminal domain of influenza viral polymerase (PA N ), a highly conserved region with critical catalytic function related to viral RNA replication and transcription, is considered as a very promising anti-influenza drug target. There is an urgent need for highly efficient and rapid screening methods to identify potential PA N inhibitors (PA N Is) from complex matrices. In this work, a novel high-throughput screening (HTS) platform was established by coupling high performance liquid chromatography and high-resolution mass spectrometry (HPLC-HRMS) with a fluorescence resonance energy transfer (FRET)-based endonuclease activity assay through an at-line nanofractionation system (ANF). The proposed screening platform could rapidly identify potential PA N Is from plant extracts with good sensitivity (baloxavir at the half maximal inhibitory concentration (IC 50 ) could be detected) and reliability ( Z ’ factor of 0.77). This platform was then successfully applied to the screening of potential inhibitors against PA N /PA N I38T from an aqueous extract of Artemisiae Argyi and 17 potential PA N Is were identified. Among them, three compounds (cynarine, isochlorogenic acid B and isochlorogenic acid C) showed comparable inhibitory activity against PA N and even better activity against PA N I38T compared to baloxavir. This study not only established a novel high-throughput ANF-based PA N Is screening platform, but also proved the feasibility to discover PA N Is from complex TCMs, which has a great potential in future anti-influenza drug discovery.
研究领域:
病毒学
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药物筛选
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植物药理学
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生物分析技术
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产品关联
DOI
PubMed
高影响因子
Materials
·
2023
·Vol. 16
·期 4
·1517
·
IF 3.4
Deqi Zhang,Shenghui Guo,Jiyun Gao,Li Yang,Ye Zhu,Yanjia Ma,Ming Hou
In this paper, with the help of the method of composite materials science, parallel synthesis and high-throughput screening were used to prepare gas sensors with different molar ratios of rare earths and precious metals modified In2O3, which could be used to monitor and warn the early leakage of gasoline and diesel. Through high-throughput screening, it is found that the effect of rare earth metal modification on gas sensitivity improvement is better than other metals, especially 0.5 mol% Gd modified In2O3(Gd0.5In) gas sensor has a high response to 100 ppm gasoline (Ra/Rg= 6.1) and diesel (Ra/Rg= 5) volatiles at 250 °C. Compared with the existing literature, the sensor has low detection concentration and suitable stability. This is mainly due to the alteration of surface chemisorption oxygen caused by the catalysis and modification of rare earth itself.Keywords:high-throughput screening;surface modification;In2O3;gas sensor;fuel volatiles
研究领域:
材料科学
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化学工程
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DOI
PubMed
高影响因子
Integrative Biology
·
2017
·Vol. 10
·期 1
·67-73
·
IF 3.252
Chai Hui Hui,Lu Yao,Fang Can,Li Ya Dan,Kang Yue Jun,Li Chang Ming,Yu Ling
Seed germination is an important means of evaluating seed quality. In the present study, a well array for a seed germination experiment was designed and fabricated by 3D printing for the first time. Each hollow cone-shaped well can hold one seed, which not only prevented the seed from falling out of the well but also ensured that part of the seed was fully exposed to the sublayer of wet filter paper, allowing it to receive water for germination. Coupled with a 3D-printed seed planter, single seeds can be quickly placed into arrayed wells. Moreover, the number of sprouts could be automatically obtained from image analysis, which greatly improved the efficiency of the entire experiment. In summary, the high-throughput, easy-to-use seed germination well array that we have developed has been shown to have potential applications in botanical seed research and agricultural production.
研究领域:
植物学
·
农业科学
✓ 已验证
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2023
·Vol. 415
·期 9
·1733-1740
·
IF 4.3
Tang Kexin,Dong Jiacheng,Zheng Zhengheng,Zhang Ting,Pan Huayi,Jia Honghua,Li Yan,Wei Ping
ω-Transaminases (ω-TAs) are widely available for the production of chiral amines and unnatural amino acids. Herein, a rapid spectrophotometric method was developed for screening ω-TAs based on the colored products that can be generated from transamination reactions between aliphatic α-diketones and amino donors catalyzed by ω-TAs. The possible mechanism of the formation of the colored product was investigated according to LC-Q-TOF–MS analysis. Among seven diketones, 2,3-butanedione was selected as the most suitable amino acceptor for colorimetric screening of ω-TAs with high efficiency, high sensitivity, and low background interference. Meanwhile, the absorbance of the colored product generated by 2,3-butanedione catalyzed by ω-TAs in this method was linearly correlated with the results by HPLC analysis. This method was also confirmed to effectively screen ω-TA mutants with high activity towards isopropylamine. Graphical Abstract
研究领域:
生物化学
·
酶工程
✓ 已验证
DOI
PubMed
高影响因子
Nature Communications
·
2025
·Vol. 16
·期 1
·1-15
·
IF 15.7
Wang Luyao,Zhou Wen,Chen Hang,Jia Xiangqian,Zheng Peiyuan,Jiang Haolin,Wu Mengling,Zhang Yaning,Ding Yanchao,Peng Yexi,Zhu Rui,Li Tiantian,Tian Boxue,Du Bujie,Du Juanjuan
Targeted protein delivery with nanocarriers holds significant potential to enhance therapeutic outcomes by precisely directing proteins to specific organs or tissues. However, the complex interactions between nanocarriers and the biological environment pose considerable challenges in designing effective targeted delivery vehicles. In this study, we address this challenge by leveraging DNA-barcoded high-throughput screening. We construct a nanocapsule library via in-situ polymerization, incorporating various monomers to create nanocapsules with unique surface properties. In vitro and in vivo screening, using female mice, identify nanocapsules with high cell association and different biodistribution. Our investigation into kidney-enriched nanocapsules highlights the crucial role of polymer composition in biodistribution, demonstrating the potential of surface engineering for precise control over nanoparticle distribution. The kidney-enriched nanocapsule successfully delivers catalase, showcasing its therapeutic potential in mitigating cisplatin-induced acute kidney injury. Overall, our study presents an approach for identifying protein delivery vehicles, with the capacity to broaden the application of proteins as therapeutic agents or research tools.
研究领域:
生物医学工程
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药理学
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分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2025
·
IF 6.7
Na An,Peng-Cheng Mei,Ao Li,Xiu-Feng Fu,Xin-Ze Wu,Han-Peng Jiang,Quan-Fei Zhu,Yu-Qi Feng
Fatty acid esters of hydroxy fatty acids (FAHFAs) are bioactive lipids with significant structural diversity and potential health benefits, playing crucial roles in metabolic regulation, inflammation, and insulin sensitivity. However, the low abundance of FAHFAs in biological samples (0.1% to 0.001% of free fatty acids) and the wide range of molecular polarities (ClogP values from 0.26 to 18.24) across short-chain to long-chain FAHFAs pose substantial challenges for high-throughput screening. Here, we developed a novel high-throughput prescreening strategy, termed DAEMS (derivatization-assisted acoustic ejection mass spectrometry), which integrates chemical derivatization with acoustic ejection mass spectrometry (AEMS). By leveraging the ultrafast analysis speed of AEMS (1–3 samples per second) and the sensitivity enhancement of N,N-dimethylethylenediamine (DMED) derivatization, DAEMS enables the screening of over 2800 potential FAHFA species in less than 2 h─significantly faster than the conventional LC-MRM MS-based screening approaches. The DAEMS strategy achieved 83% coverage and 79% accuracy in preliminary screening compared to the LC-MRM MS. Furthermore, we also revealed novel oxidized FAHFA species in edible fungi for the first time, suggesting potential biosynthesis involving oxylipins or oxidative modifications. This study demonstrates DAEMS as a promising tool for rapid FAHFA prescreening, and the discovery of oxidized FAHFAs provides new insights into FAHFA diversity and metabolism.
研究领域:
生物化学
·
代谢组学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2015
·
IF 4.513
Yuhan Yang,Feifei Han,Jin Ouyang,Yunling Zhao,Juan Han,Na Na
The in-situ and high-throughput evaluation of enzymes and real-time monitoring of enzyme catalyzed reactions in liquid phase is quite significant in the catalysis industry. In-situ nanoelectrospray, the direct sampling and ionization method for mass spectrometry, has been applied for high-throughput evaluation of enzymes, as well as the on-line monitoring of reactions. Simply inserting a capillary into a liquid system with high-voltage applied, analytes in liquid reaction system can be directly ionized at the capillary tip with small volume consumption. With no sample pre-treatment or injection procedure, different analytes such as saccharides , amino acids , alkaloids, peptides and proteins can be rapidly and directly extracted from liquid phase and ionized at the capillary tip. Taking irreversible transesterification reaction of vinyl acetate and ethanol as an example, this technique has been used for the high-throughput evaluation of enzymes, fast optimizations, as well as real-time monitoring of reaction catalyzed by different enzymes. In addition, it is even softer than traditional electrospray ionization . The present method can also be used for the monitoring of other homogenous and heterogeneous reactions in liquid phases, which will show potentials in the catalysis industry.
研究领域:
生物化学
·
催化科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CORROSION SCIENCE
·
2023
·
IF 8.3
Jinke Wang,Lingwei Ma,Zhibin Chen,Yue Wang,Chenhao Ren,Tong Liu,Li Ma,Cunguo Lin,Dawei Zhang
A high-throughput method was proposed to screen coating fillers with both good corrosion-sensing and inhibition performances. SiO 2 nanoparticles loaded with different percentages of phenanthroline (Phen) and 1-hexadecyl-3-methylimidazolium chloride (HDMIC) were prepared (Ph-HD@SN) using a multi-channel synthesis instrument. The corrosion-sensing ability of different Ph-HD@SN to detect Fe 2+ ions can be determined by spectrophotometric method within 30 s. The corrosion inhibition effect of Ph-HD@SN was evaluated by visual assessment and quantification of iron dissolution from carbon steel in NaCl solutions containing different nanoparticles . The optimized Ph-HD@SN was incorporated into epoxy coating to achieve the corrosion-sensing and self-healing properties.
研究领域:
材料科学
·
腐蚀防护
✓ 已验证
产品关联
DOI
高影响因子
Biotechnology for Biofuels and Bioproducts
·
2023
·Vol. 16
·期 1
·1-13
·
IF 0
Gao Hui,Li Mengxuan,Wang Qing,Liu Tingting,Zhang Xian,Yang Taowei,Xu Meijuan,Rao Zhiming
ATP, an important cofactor, is involved in many biocatalytic reactions that require energy. Polyphosphate kinases (PPK) can provide energy for ATP-consuming reactions due to their cheap and readily available substrate polyphosphate. We determined the catalytic properties of PPK from different sources and found that PPK from Cytophaga hutchinsonii ( Ch PPK) had the best catalytic activity for the substrates ADP and polyP 6 . An extracellular–intracellular dual system was constructed to high-throughput screen for better catalytic activity of Ch PPK mutants. Finally, the specific activity of Ch PPK D82N-K103E mutant was increased by 4.3 times. Therefore, we focused on the production of L-theanine catalyzed by GMAS as a model of ATP regeneration. Supplying 150 mM ATP, GMAS enzyme could produce 16.8 ± 1.3 g/L L-theanine from 100 mM glutamate. When 5 mM ATP and 5 U/mL Ch PPK D82N-K103E were added, the yield of L-theanine was 16.6 ± 0.79 g/L with the conversion rate of 95.6 ± 4.5% at 4 h. Subsequently, this system was scaled up to 200 mM and 400 mM glutamate, resulting in the yields of L-theanine for 32.3 ± 1.6 g/L and 62.7 ± 1.1 g/L, with the conversion rate of 92.8 ± 4.6% and 90.1 ± 1.6%, respectively. In addition, we also constructed an efficient ATP regeneration system from glutamate to glutamine, and 13.8 ± 0.2 g/L glutamine was obtained with the conversion rate of 94.4 ± 1.4% in 4 h after adding 6 U/ mL GS enzyme and 5 U/ mL Ch PPK D82N-K103E , which further laid the foundation from glutamine to L-theanine catalyzed by GGT enzyme. This proved that giving the reaction an efficient ATP supply driven by the mutant enzyme enhanced the conversion rate of substrate to product and maximized the substrate value. This is a positively combination of high yield, high conversion rate and high economic value of enzyme catalysis. The mutant enzyme will further power the ATP-consuming biocatalytic reaction platform sustainably.
研究领域:
生物化学
·
酶工程
·
代谢工程
✓ 已验证
DOI
PubMed
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2024
·
IF 5.7
Xiaochong Zhu,Jieyuan Wu,Shizhong Li,La Xiang,Jian-Ming Jin,Chaoning Liang,Shuang-Yan Tang
Eugenol, the main component of essential oil from the Syzygium aromaticum clove tree, has great potential as an alternative bioresource feedstock for biosynthesis purposes. Although eugenol degradation to ferulic acid was investigated, an efficient method for directly converting eugenol to targeted natural products has not been established. Herein we identified the inherent inhibitions by simply combining the previously reported ferulic acid biosynthetic pathway and vanillin biosynthetic pathway. To overcome this, we developed a novel biosynthetic pathway for converting eugenol into vanillin, by introducing cinnamoyl-CoA reductase (CCR), which catalyzes conversion of coniferyl aldehyde to feruloyl-CoA. This approach bypasses the need for two catalysts, namely coniferyl aldehyde dehydrogenase and feruloyl-CoA synthetase, thereby eliminating inhibition while simplifying the pathway. To further improve efficiency, we enhanced CCR catalytic efficiency via directed evolution and leveraged an artificialvanillin biosensor for high-throughput screening. Switching the cofactor preference of CCR from NADP+ to NAD+ significantly improved pathway efficiency. This newly designed pathway provides an alternative strategy for efficiently biosynthesizing feruloyl-CoA-derived natural products using eugenol.
研究领域:
生物化学
·
合成生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2024
·Vol. 29
·期 23
·5801
·
IF 4.2
Fan Zhang,Fan Sun,Lequan Yu,Fei Li,Lixia Liu,Xiaoyan Cao,Yi Zhang,Lijie Wu
A novel screening platform based on an Fe3O4@C@PDA-Ni2+@COX-2 ligand fishing combination with high-performance liquid chromatography–mass spectrometry was first designed, synthesized, and employed to screen and identify COX-2 inhibitors fromPanax notoginsengleaves. The obtained magnetic nanoparticles exhibit outstanding preconcentration ability that allows for controlling the enzyme orientation to avoid enzyme active site blocking, conformational changes, or denaturing during immobilization. The as-prepared Fe3O4@C@PDA-Ni2+@COX-2 composite was carefully characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier-transform infrared spectrometry (FT-IR), Xray powder diffraction (XRD), thermal gravimetric analyzer (TGA), vibrating sample magnetometer (VSM), and Zeta potential analysis. The analytical parameters influencing the magnetic solid-phase fishing efficiency were optimized by univariate and multivariate methods (Box–Behnken design) by testing a positive control and celecoxib with active and inactive COX-2. Under the optimized ligand fishing conditions, twelve potential COX-2 inhibitors were screened and characterized inPanax notoginsengleaves. The results indicate that the proposed method provides a simple, feasible, selective, and effective platform for the efficient screening and identification of active compounds from Chinese herbal medicine. It has guiding significance for the synthesis and development of novel anti-inflammatory drugs, and provides a reference for the efficient discovery of anti-inflammatory drugs or lead compounds from the complex system of Chinese herbal medicine.
研究领域:
药理学
·
纳米技术
·
中药化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）