CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Jing Liu,Yuhao Zhou,Zhenxue Xiao,Mengyuan Xue,Sheng Liu,Tianying Yan
Lithium–sulfur (Li–S) batteries, with promising potential for high energy density, remain compelling candidates for next-generation energy storage systems. However, they still suffer from huge challenges such as severe shuttle effects and sluggish redox kinetics. A strategic approach involves the meticulous design of host materials at the molecular level, emphasizing the construction of efficient sulfiphilic organic molecules as anchoring sites for lithium polysulfides (LiPS). In this study, a series of benzamides (benzamide, 2-fluorobenzamide, and 2,6-difluorobenzamide) are introduced onto carboxylic multiwalled carbon nanotubes (C-CNT) to graft sulfur hosting materials with tailored functional interfaces for Li–S batteries. Through a comparative study, we identify the semi-ionic C−F bond and carbonyl functional group as active centers, presenting a synergistic strategy via Li···O and Li···F bonds for anchoring LiPS. The optimized cathode material of sulfur-based carbon nanotubes grafted with 2-fluorobenzamide exhibits outstanding electrochemical activity, achieving a high reversible capacity of 944.8 mAh/g under a high sulfur loading (5.5 mg cm −2 ) and low electrolyte usage (8 µL mg −1 ). Our study underscores the potential of tailoring the molecular structure of host materials to effectively immobilize LiPS for high-performance Li–S batteries.
研究领域:
材料科学
·
电化学
✓ 已验证
DOI
高影响因子
PEST MANAGEMENT SCIENCE
·
2021
·Vol. 77
·期 6
·2964-2970
·
IF 4.845
Ning Shen,Yao Li,Kipchoge Leviticus,Xiao Li Chang,Tao Tang,Li Cui,Zhao Jun Han,Chun Qing Zhao
BACKGROUND Two-spotted spider mite (TSSM), Tetranychus urticae Koch, is one of the most serious pests of agricultural crops. Broflanilide exhibits high lethality against various pests and has been marketed worldwide under the Vedira and Tenebenal brands in 2020. Nevertheless, little information has been reported about its effects on agricultural mites. RESULTS Broflanilide displayed higher toxicity to TSSM eggs (24 h LC 50 , 1.015 mg L −1 ) and adult females (24 h LC 50 , 2.062 mg L −1 ) than commercial acaricides, including cyflumetofen, bifenazate, and profenofos. In contrast, the adverse effects of broflanilide on the predatory mite, Typhlodromips swirskii Athias-Henriot, was lower than those of fenpyroximate and abamectin. In the sublethal effect study, while adult females were treated with broflanilide, the number of eggs and longevity were reduced in LC 10 and LC 30 treatments; when eggs were treated with broflanilide, the egg duration and deutonymph duration were prolonged in LC 30 treatment. A significant decrease in the total life span and duration and fecundity of adult females was observed in LC 10 and LC 30 treatments. Furthermore, the number of eggs per adult female was significantly reduced from 103.48 ± 3.69 in the control group to 69.42 ± 2.22 and 48.33 ± 1.75 in LC 10 and LC 30 treatments, respectively. In the greenhouse bioassay, broflanilide 5% suspension concentrate (MCI-8007) showed excellent acaricidal activity to TSSM, with 99.22% corrected control, compared with the MCI-8007 untreated group. CONCLUSION Our results indicated that broflanilide has a high acaricidal activity to TSSM and significant inhibition to fecundity of adult female, and could be considered as a potential alternative for TSSM management. © 2021 Society of Chemical Industry.
研究领域:
农业科学
·
害虫管理
·
植物保护
✓ 已验证
产品关联
DOI
PubMed
高影响因子
POWDER TECHNOLOGY
·
2018
·
IF 3.23
Guixiang Ma,Jinhe Sun,Yue Zhang,Yan Jing,Yongzhong Jia
A series of stearic acid (SA)/benzamide (BA) binary mixtures were prepared and demonstrated, and then the phase diagram and Tammann plot were established. The results showed that the molar fraction of SA in SA-BA eutectic mixture was 0.757. The eutectic mixture melted at 339.05 K with 200.15 J·g −1 latent heat. Expanded graphite (EG) was added to eutectic mixture to form composite phase change materials (PCMs) owing to the eutectic mixture has low thermal conductivity . It was found that the binary mixture and EG had good chemical compatibility, and the thermal conductivity of the composite with 12 wt% EG was significant increased by 12.30 times compared to eutectic mixture. Besides, the phase change properties of eutectic mixture/12 wt% EG composite phase change material (PCM) had a little change after 100 thermal cycles, and had negligible mass loss after leakage test. These results demonstrated that the composite PCM had good thermal reliability and stability. Based on the above results, the composite PCM has great potential in thermal energy storage application.
研究领域:
材料科学
·
热能存储
✓ 已验证
产品关联
DOI
高影响因子
CRYSTENGCOMM
·
2019
·Vol. 21
·期 36
·5519-5525
·
IF 3.382
Hao Wu,Jingkang Wang,Fei Li,Qi Liu,Shuyi Zong,Jingtao Bi,Na Wang,Guoqiang Shan,Hongxun Hao
Promoting crystal growth is of great practical importance in the pharmaceutical industry, especially for manufacturing large crystals. In this work, intensification of crystal growth was investigated by using p-toluamide as a model compound. The crystal habit and the functional groups of different crystal faces of p-toluamide were analyzed from the crystal structure data. The growth rate of the (100) and (011) faces of p-toluamide was systematically measured by single crystal experiments and the effect of additives on crystal growth was evaluated. It was found that different additives could selectively promote the growth of specific crystal faces. Molecular simulation was used to investigate the influence mechanism of additives on (011) crystal face growth. It was revealed that the special promotion effect is due to the fact that the additive molecules repel the solvent molecules which exhibit a stronger inhibiting effect, thus eliminating the negative influence of the solvent on the surface diffusion of p-toluamide.
研究领域:
化学工程
·
制药工程
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
WATER RESEARCH
·
2025
·
IF 12.4
Jung-Hyun Son,Wen-Long Wang,Peng-Hui Liu,Hang Su,Ju-Won Lee,Min-Yong Lee,Qian-Yuan Wu
This study investigates the enhancement of ozonation efficiency through the introduction of manganese ions (O 3 /Mn(II)) that significantly improve the degradation of ozone-persistent organic pollutants. Manganese ions accelerate hydroxyl radical generation by catalyzing ozone decomposition, thereby facilitating more effective oxidative reactions. The application of O 3 /Mn(II) to degrade N, N-Diethyl-3-toluamide (DEET) achieved a decomposition efficiency of 3.6 to 4.1 times higher than ozonation alone. The promotive effect was highly pH-dependent, with the observed rate constant ( k obs ) for O 3 /Mn(II) reaching 97.05 M −1 s −1 at pH 4, approximately 3.3 times greater than ozonation alone, and 686.93 M −1 s −1 at pH 7, around 1.7 times higher. O 3 oxidation contributed approximately 1% to the overall process, while hydroxyl radicals accounted for approximately 80%, and manganese species accounted for approximately 20%. Furthermore, the oxidation state of manganese significantly influenced the cooperative oxidation efficiency, with Mn(VII) achieving the highest k obs (680.87 M −1 s −1 ), while Mn(IV) exhibited the lowest (304.6 M −1 s −1 ). Additionally, intermediate products formed during DEET oxidation were identified using Orbitrap technology, elucidating various degradation pathways (such as decarboxylation, tri-hydration, and aromatic ring opening). These findings provide valuable insights into enhancing ozonation processes for environmental remediation.
研究领域:
环境科学
·
化学工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2019
·
IF 2.983
Chengcan Lu,Kejia Fu,Kangna Cao,Jiali Wei,Jing Zhou,Di Zhao,Ning Li,Yang Lu,Xijing Chen,Yongjie Zhang
A rapid and sensitive ultra-high-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method was applied to investigate the permeability characteristics and transport mechanism of trihexyphenidyl hydrochloride (TH) in D-hanks with the Caco-2 cells model. Analytes were separated using an Zorbax Extend-Agilent C 18 (1.8 μm, 4.6 × 30 mm) column following a simple methanol precipitation treatment. The mobile phase consisted of methanol and water containing 0.1% formic acid, and the total gradient program time was 1.5 min. Method validation results showed TH was linear in 2–500 ng/mL (r 2 > 0.99), and the lower limit of quantification (LLOQ) was 2 μg/mL. The intra-run and inter-run precision (coefficient of variation, CV) was within 2.80%, and the accuracy (relative error, RE) was within ±11.10%. Stability of TH was evaluated in different storage conditions, including short-term I-III, long-term I-III, 2 and 4 h in the artificial gastrointestinal tract, respectively. There was no obvious interference between TH and internal standards (IS). With the established Caco-2 monolayer permeability model, Papp(AB) of TH was calculated as 46.29 ± 8.31 × 10 −6 cm/s, and the efflux ratio (ER) value was calculated as 0.22, indicating a high permeability character of TH. The transmembrane transport of TH followed the concentration-dependent, temperature-independent, and energy-free manner. Collectively, these characteristics indicate that TH is a highly permeable drug and the transport mechanism is mainly via passive diffusion.
研究领域:
药理学
·
药物代谢动力学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
International Journal of Environmental Research and Public Health
·
2016
·Vol. 13
·期 9
·925
·
IF 2.035
Hong-Qin Sun,Yang Du,Zi-Yang Zhang,Wen-Jing Jiang,Yan-Min Guo,Xi-Wu Lu,Yi-Min Zhang,Li-Wei Sun
Benzophenone (BP) andN,N-diethyl-3-methylbenzamide (DEET) are two chemicals often used in personal care products (PCPs). There is a lack of systematic ecotoxicological evaluations about the two chemicals to aquatic organisms. In the present study, the acute toxic effects onChlorella vulgaris,Daphnia Magana, andBrachydanio reriowere tested and the ecotoxicological risks were evaluated. For BP, the 96-h half-maximal effective concentration (EC50) onC. vulgariswas 6.86 mg/L; the 24-h median lethal concentration (LC50) onD. maganawas 7.63 mg/L; the 96-h LC50onB. reriowas 14.73 mg/L. For DEET, those were 270.72 mg/L, 40.74 mg/L, and 109.67 mg/L, respectively. The mixture toxicity of BP and DEET, onC. vulgaris,D. magana, andB. rerioall showed an additive effect. The induced predicted no-effect concentrations (PNECs) for BP and DEET by assessment factor (AF) method are 0.003 mg/L and 0.407 mg/L, respectively. Both are lower than the concentrations detected from environment at present, verifying that BP and DEET are low-risk chemicals to the environment.
研究领域:
环境科学
·
毒理学
✓ 已验证
DOI
高影响因子
Digital Discovery
·
2024
·Vol. 3
·期 10
·1958-1966
·
IF 6.2
Runzhe Liu,Zihao Wang,Wenbo Yang,Jinzhe Cao,Shengyang Tao
The integration of artificial intelligence (AI) and chemistry has propelled the advancement of continuous flow synthesis, facilitating program-controlled automatic process optimization. Optimization algorithms play a pivotal role in the automated optimization process. The increased accuracy and predictive capability of the algorithms will further mitigate the costs associated with optimization processes. A self-optimizing Bayesian algorithm (SOBayesian), incorporating Gaussian process regression as a proxy model, has been devised. Adaptive strategies are implemented during the model training process, rather than on the acquisition function, to elevate the modeling efficacy of the model. This algorithm facilitated optimizing the continuous flow synthesis process of pyridinylbenzamide, an important pharmaceutical intermediate, via the Buchwald–Hartwig reaction. Achieving a yield of 79.1% in under 30 rounds of iterative optimization, subsequent optimization with reduced prior data resulted in a successful 27.6% reduction in the number of experiments, significantly lowering experimental costs. Based on the experimental results, it can be concluded that the reaction is kinetically controlled. It provides ideas for optimizing similar reactions and new research ideas in continuous flow automated optimization.
研究领域:
化学工程
·
人工智能
·
制药科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2014
·
IF 1.599
Xiaopei Li,Xiaokun Fan,Kun Huang,Huizhou Liu,Ying Zhao,Yongju Wei,Cuige Liu,Yizhuang Xu,Isao Noda,Jinguang Wu
We explore whether it is possible to use 2D correlation spectrum to characterize intermolecular interactions between two solutes dissolved in the same solution when one substance does not possesses any characteristic peak. We demonstrate that the interaction can be manifested by characteristic cross peaks in 2D asynchronous correlated spectrum. The above cross peaks reflect the subtle spectral variations on the characteristic peak of another solute under intermolecular interaction. On the other hand, 2D synchronous spectrum is not suitable to characterize intermolecular interaction since the cross peaks contain irremovable interfering parts. The terbium-chloride/benzamide/methanol system is used to demonstrate that this approach is applicable in the real chemical system.
研究领域:
分析化学
·
光谱学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）