PEST MANAGEMENT SCIENCE
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2014
·Vol. 71
·期 3
·433-440
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IF 2.743
Xiao-Long Chen,Li-Jun Zhang,Fu-Ge Li,Yong-Xian Fan,Wei-Ping Wang,Bao-Ju Li,Yin-Chu Shen
BACKGROUND Maleimides, both natural and synthesised, have good biological activities. In a continuous effort to discover new maleimides with good antifungal activities, the authors have synthesised a series of 3,4-dichloro-, 3-methyl and non-substituted maleimides based on previous studies. The compounds were biologically evaluated against the fungal pathogen Sclerotinia sclorotiorum. RESULTS Of the 63 compounds evaluated, 25 compounds had interesting inhibitory potency with EC 50 < 10 µg mL −1 . N -(3,5-Dichlorophenyl)-3,4-dichloromaleimide (EC 50 = 1.11 µg mL −1 ) and N -octyl-3-methylmaleimide (EC 50 = 1.01 µg mL −1 ) were more potent than the commercial fungicide dicloran (EC 50 = 1.72 µg mL −1 ). The results showed that compounds exhibiting log P values within the range 2.4–3.0 displayed the best results in terms of fungicidal activity, and this seemed, therefore, to be the optimum range for this physicochemical parameter. CONCLUSION The present work demonstrates that some maleimides can be used as potential lead compounds for developing novel antifungal agents against S. sclerotiorum . © 2014 Society of Chemical Industry
研究领域:
药物化学
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植物病理学
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DOI
PubMed
高影响因子
JOURNAL OF CONTROLLED RELEASE
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2022
·
IF 11.467
Zhi Li,Meng Li,Hao Sun,Zhiyuan Yang,Qingqing Huo,Yuancheng Bai,Yong Mei,Yuanai Li,Peng Quan,Jinsong Zhang,Dongfei Liu
Despite the successful treatment of drug intoxications , little information is available to quantitively predict the effect of lipid emulsions on pharmacokinetic features of overdosed drug molecules. We defined two new parameters, drug accommodation capacity and drug capture kinetics, to characterize the drug capture capability of lipid emulsions. By precisely characterizing their drug capture capability, the effect of lipid emulsions on pharmacokinetic features of overdosed drug molecules was quantitively described. This quantitative description enabled an accurate prediction of the reducing extent on the half-life and area under drug concentration-time curve, which was verified by the successful treatment of overdosed propafenone . Moreover, the capture effect prediction using drug capture capability was more accurate than that of directly using log P . Overall, the developed capture capability accurately described the effect of lipid emulsions on drug pharmacokinetic features, which can guide the clinical application of lipid emulsions for the treatment of drug overdose .
研究领域:
药理学
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毒理学
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临床药理学
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产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2026
·
IF 5.2
Yong Tang,Shaoyun Peng,Chiliang Lin,Junling He,Stig Pedersen-Bjergaard,Frederik André Hansen,Haimin Zou,Ling Wu,Chen Zhou
Two different liquid membrane systems were developed for efficient extraction of hydrophilic peptides. • The mass transfer mechanisms for conventional organic and DES-based liquid membranes were systematically elucidated. • A high-throughput 96-well electromembrane extraction platform was established for urinary peptide analysis. • A novel Log P-charge dual-factor model was proposed to predict peptide electromigration behavior in EME systems. The selective enrichment of trace hydrophilic peptides from complex biological matrices remains a pivotal challenge in biomarker discovery. To address this, we developed a high-throughput and environmentally friendly electromembrane extraction-liquid chromatograph/mass spectrometry (EME-LC/MS) method for the analysis of 21 hydrophilic endogenous peptides in urine. Two different liquid membranes were optimized: P1, a conventional organic liquid membrane consisting of 2-nitrophenyl octyl ether (NPOE) and carvacrol (2:1, v /v ) with 2% di(2-ethylhexyl) phosphate (DEHP); and P2, a deep eutectic solvent (DES)-based membrane composed of camphor and decanoic acid (1:1, w /w ) with 0.5% DEHP. Mechanistic studies revealed that P1 extraction relies on cation-π, π-π stacking, and ion-pair interactions, enriching 13 peptides within 20 min at 30 V. In contrast, P2 operates via hydrogen bonding and ionic interactions, achieving more rapid extraction of 14 peptides within only 10 min at 30 V, along with a broader operational window and enhanced green solvent potential. Importantly, we established a log P -charge dual-factor model, demonstrating that peptide electromigration was co-determined by lipophilicity (log P ) and net charge under operational buffer, with its predictive reliability confirmed by external validation. Implemented in a 96-well format, the EME method was high-throughput, solvent-minimized, and environmentally friendly with AGREEprep score of 0.72. Beyond providing a robust analytical tool, this work established a fundamental mechanistic framework for the design of electromembrane extraction systems, advancing both biomarker analysis and the understanding of transmembrane transfer for polar biomolecules. Download: Download high-res image (101KB) Download: Download full-size image
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高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2024
·
IF 4.9
Zhenfeng Xie,Yi Wu
Emulsion-based carriers have been widely studied for the co-encapsulation of active ingredients with different partition coefficient (Log P). However, it is challenging to encapsulate active ingredients with low Log P values in emulsified oil droplets. In this study, (-)-epigallocatechin gallate (EGCG, 160 µg/g*emulsion, Log P 2.38) and resveratrol (Res, 320 µg/g*emulsion, Log P 2.57), as models with low Log P, were co-encapsulated in emulsified oil droplets for the first time by peppermint essential oil (PEO) mediation. During storage process, EGCG and Res consistently remain co-located inside the emulsified oil droplets. However, both EGCG and Res migrated towards the inner layer of the interface of emulsified oil droplets along with PEO. Res exhibited better stability compared to EGCG, while the degradation of EGCG occurred within the emulsified oil droplets. Furthermore, when co-localized with Res, the degradation rate of EGCG slowed down. PEO did not degrade during storage, and over 98 % of PEO was encapsulated within the emulsified oil droplets. This is the crucial reason for maintaining the stability of SC-stabilized emulsion and achieving high encapsulation efficiency of active ingredients. This provides a green and simple strategy for co-encapsulation of active ingredients with Log P lower than 3.0 within emulsified oil droplets.
研究领域:
食品科学
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生物化学
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产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF PHARMACEUTICS
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2021
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IF 5.875
Degong Yang,Chao Liu,Dawei Ding,Peng Quan,Liang Fang
Though ionic liquids (ILs) as novel enhancers had garnered wide attention, detailed studies elucidating molecular design of drug-ILs were missing and mechanisms of their formation and skin permeation were still lacking. Herein, we systematically investigated effects of counterions structures on formation and skin permeation of drug-ILs. Firstly, effects of counterions on formation of drug-ILs were dependent on polarizability, molecular weight (M.W.) and polar surface area of counterions. It was caused by strong charge assisted hydrogen bond and van der Waals interactions revealed through FT-IR, X-ray photoelectron spectroscopy and molecular docking, which undermined ionic interactions and reduced total interaction strength, thereby produced lower lattice energy. Then, skin permeability of drug-ILs had a good parabola relationship with M.W., polarizability and log P of counterions. The underlying mechanism was the increased drug miscibility with stratum corneum, which caused conformational disorder and phase transition of lipid bilayers characterized by ATR-FTIR, DSC and confocal laser scanning microscopy. Finally, the drug-ILs proved to be non-irritating using in vivo skin erythema analysis. In conclusion, the quantitative structure-activity relationship models based on counterions structure to predict formation and skin permeation of drug-ILs were developed, which provided basic theory for design of drug-ILs with high permeation-enhancing efficiency.
研究领域:
药剂学
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药物化学
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材料科学
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生物物理学
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DOI
高影响因子
危险品化学品经营许可证（带存储）