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CRYSTAL GROWTH & DESIGN · 2021 · IF 4.076

Insights into the Role of Dipentaerythritol in the Thermodynamics and Nucleation Behavior of a Pentaerythritol–Water System

Haoyu Peng,Ningning Tian,Changyou Yu,Ye Gao,Kangli Li,Hui Yan,Pengwei Zhao,Songgu Wu,Mingyang Chen,Junbo Gong

The experimental metastable zone widths of PE–DPE–H2O systems were measured by a polythermal method, and the nucleation behavior of pentaerythritol (PE) and the influence of dipentaerythritol (DPE) on the critical nucleus parameters were analyzed on the basis of modified Sangwal’s model and classical nucleation theory, respectively. The results reveal that the dissolved DPE molecules can significantly increase the nucleation solid–liquid interfacial energy γ from 3.93 to 5.51 mJ/m2, increasing the critical nucleus size rcrit and free energy ΔGcrit, and inhibit the nucleation process.

研究领域: 化学 · 材料科学
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MOLECULES · 2021 ·Vol. 26 ·期 6 ·1667 · IF 4.412

Growth Restriction of Rhizoctonia solani via Breakage of Intracellular Organelles Using Crude Extracts of Gallnut and Clove

Jian Wang,Xianfeng Hu,Chenglong Yang,Xiaomao Wu,Rongyu Li,Ming Li

Plant diseases reduce crop yield and quality, hampering the development of agriculture. Fungicides, which restrict chemical synthesis in fungi, are the strongest controls for plant diseases. However, the harmful effects on the environment due to continued and uncontrolled utilization of fungicides have become a major challenge in recent years. Plant-sourced fungicides are a class of plant antibacterial substances or compounds that induce plant defenses. They can kill or inhibit the growth of target pathogens efficiently with no or low toxicity, they degrade readily, and do not prompt development of resistance, which has led to their widespread use. In this study, the growth inhibition effect of 24 plant-sourced ethanol extracts on rice sprigs was studied. Ethanol extract of gallnuts and cloves inhibited the growth of bacteria by up to 100%. Indoor toxicity measurement results showed that the gallnut and glove constituents inhibition reached 39.23 μg/mL and 18.82 μg/mL, respectively. Extract treated rice sprigs were dry and wrinkled. Gallnut caused intracellular swelling and breakage of mitochondria, disintegration of nuclei, aggregation of protoplasts, and complete degradation of organelles in hyphae and aggregation of cellular contents. Protection ofRhizoctonia solaniviability reached 46.8% for gallnut and 37.88% for clove in water emulsions of 1000 μg/mL gallnut and clove in the presence of 0.1% Tween 80. The protection by gallnut was significantly stronger than that of clove. The data could inform the choice of plant-sourced fungicides for the comprehensive treatment of rice sprig disease. The studied extract effectively protected rice sprigs and could be a suitable alternative to commercially available chemical fungicides. Further optimized field trials are needed to effectively sterilize rice paddies.Keywords:Rhus chinensisMill;Syzygium aromaticum;rice sheath blight;antifungal activity

CAS / MDL: 64-17-5
研究领域: 植物学 · 农业科学
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Journal of Energy Storage · 2024 · IF 8.9

Preparation and thermal properties investigation of pentaerythritol based phase change microcapsules for low and medium temperature thermal energy storage

Xuanxuan Wang,Yuting Wu,Chuan Li,Yuanwei Lu,Cancan Zhang,Ming Hong

As one of classic organic compounds, pentaerythritol (PE) has been reported to have two phase-change processes with one solid-solid transition and other solid-liquid transition. To utilize these two phase-change enthalpies and avoid the liquid leakage over heat storage process, this work for the first time proposes to encapsulate PE with use of silicon dioxide (SiO 2 ) as a shell substance through a so-called so-gel technology. The microstructure characterization and thermoproperties as well as the cycling performance of the PE- SiO 2 composite are detailedly investigated. The results showed that PE could be successfully covered by SiO 2 to form a spherical core-shell structure. Such an encapsulation has a mean size of 0.3 μm and an encapsulated rate of over 77.8 %. Due to the involvement of two phase-transition stages, the latent heat of the PE- SiO 2 composite reached to 255 kJ/kg, which is higher than other organic microencapsulations. In addition, the thermal conductivity is largely enhanced by adjusting the ratio of SiO 2 . For a given SiO 2 ratio of 77.8 %, the thermal conductivity of PE-SiO 2 composite is 0.93 W/m·K, 36.8 % higher than that of pristine PE. Apart from these, the results also indicated that the composite achieves excellent thermal cycling performance. After one hundred repeated heating-cooling cycles, the latent heat of the PE- SiO 2 composite decreases by less than 5 %, demonstrating that this composite material has a large potential for application in the field of thermal energy storage at low and medium temperatures.

研究领域: 材料科学 · 能源存储
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ENERGY · 2023 · IF 9

Evaluation of lithium battery immersion thermal management using a novel pentaerythritol ester coolant

Chu Huang,Haixi Zhu,Yinjie Ma,Jiaqiang E

Immersion cooling is an effective way to control the thermal load of high-power-density energy storage devices. Developing high-efficiency coolants is the core problem and research hotspot to improve immersion cooling performance. In this study, a novel ester coolant, pentaerythritol esters, for battery immersion cooling systems (BICS) was proposed by experiment, and its thermal properties were comparatively studied with other coolants. The effect of coolant flow rate and discharge rate on the thermal performance of BICS was studied. An increase in the discharge rate results in an increase in the maximum battery pack temperature and temperature non-uniformity. However, at a 3-C discharge rate, pentaerythritol esters with a flow rate of 0.015 kg/s can keep the temperature difference of the battery pack below 0.7 K. When the flow rate increases from 0.003 kg/s to 0.045 kg/s, the temperature rise of the battery pack can be reduced by 61%. For all coolants, when the flow rate increases from 0.025 kg/s to 0.045 kg/s, the power consumption increases by 2.3 times. Compared with mineral oil, at a flow rate of 0.045 kg/s, pentaerythritol esters can reduce power consumption by 55.4%. Combined with its renewable, biodegradable features, the novel pentaerythritol ester is a perfect option for the battery immersion coolant.

研究领域: 能源工程 · 材料科学 · 热力学
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Materials Today Sustainability · 2023 · IF 7.8

Porous materials prepared from eco-friendly attapulgite and gallnut stabilized aqueous foam templates for high-efficient removal of organic pollutants

H. Yu,Y. Zhu,F. Duan,A. Wang

To date, whether it is the fabrication or adsorption process or the regeneration of adsorbent materials , cleanliness and environmental friendliness have been pursued by researchers. Herein, a novel and eco-friendly porous material was fabricated via the Pickering aqueous foam and applied to remove organic pollutants of brilliant green and chlortetracycline. The Pickering foam showed excellent stability and was synergistically stabilized by natural nanomaterials—attapulgite and botany—gallnut. The characterization result revealed that the attapulgite was modified by the organic molecular leached from the gallnut, and then adsorbed and formed a rigid shell at the water-air interface to prevent the coalescence and drainage of the bubble. The as-prepared porous adsorbent possessed excellent adsorption capacities of 939.83 and 465.85 mg/g for brilliant green and chlortetracycline and could be utilized cyclically at least 10 times by the carbonization regeneration at 400 °C under N 2 atmosphere. Overall, this work provided a sustainable and eco-friendly approach to fabricate porous material, and the material might have huge potential in practical applications as it has the excellent adsorption performance and the reusability .

CAS / MDL: 393781-70-9
研究领域: 环境科学 · 材料科学
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Polymers · 2019 ·Vol. 11 ·期 2 ·194 · IF 3.164

Synthesis and Study of Zinc Orotate and Its Synergistic Effect with Commercial Stabilizers for Stabilizing Poly(Vinyl Chloride)

Feng Ye,Qiufeng Ye,Haihua Zhan,Yeqian Ge,Xiaotao Ma,Yingying Xu,Xu Wang

Zinc orotate (ZnOr2), which is a new kind of poly(vinyl chloride) (PVC) stabilizer, is prepared in this work through the precipitation method, and its impact on the thermal stability of PVC is measured by thermogravimetric analysis (TG), Congo red test, and discoloration test. The results exhibit that the thermal stability of PVC is positively enhanced after the addition of ZnOr2. In contrast with a commercial thermal stabilizer, zinc stearate (ZnSt2), a noteworthy improvement was observed that ZnOr2could postpone the “zinc burning” of PVC. This is principally ascribed to the Or anion in the structure of ZnOr2being able to absorb the HCl released by PVC, and to supersede unstable chlorine atoms in the structure of PVC. In addition, blending ZnOr2with calcium stearate (CaSt2) in diverse mass ratios can significantly accelerate the thermal stability of PVC. Optimum performance was achieved with a CaSt2:ZnOr2ratio of 1.8:1.2. Moreover, an outstanding synergistic effect can be observed when CaSt2/ZnOr2is coupled with other commercial auxiliary stabilizers. The initial color and long-term stability of PVC including CaSt2/ZnOr2is significantly increased when pentaerythritol (PER) is added, while dibenzoylmethane (DBM) can only improve its long-term thermal stability.Keywords:poly(vinyl chloride);zinc orotate;dibenzoylmethane;thermal stabilizer;pentaerythritol;synergistic effect

研究领域: 材料科学 · 化学工程
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ChemistrySelect · 2024 ·Vol. 9 ·期 22 ·e202401172 · IF 1.9

Catalytic Esterification of Pentaerythritol over a Mesoporous Composite SnCl2@HZSM-5 Catalyst

Miao Mi,Jie Xiong,Suhong Zhang,Yidong Zhang,Xin Chen,Rong Shao,Wei Xu,Jianfei Ding

Graphical Compared to SnCl 2 and HZSM-5, SnCl 2 @HZSM-5 was a mesoporous composite, which had the most amount of total and weak acidity, and the weakest acid strength. More total acid content is beneficial to increase pentaerythritol conversion, and the weak acid can improve the selectivity of PETS, and weak acid strength is beneficial to inhibit the formation of carbon deposits. Therefore, SnCl 2 @HZSM-5 showed the highest pentaerythritol conversion, PETS selectivity and catalytic stability. The mesoporous HZSM-5 and SnCl 2 @HZSM-5 mesoporous composite were prepared by two-step crystallization and wet impregnation method, respectively. The catalytic esterification performances of SnCl 2 , HZSM-5 and SnCl 2 @HZSM-5 were compared. SnCl 2 @HZSM-5 had the most amount of total and weak acidity, and the weakest acid strength. More total acid content was beneficial to increase pentaerythritol conversion, and the weak acid could improve the selectivity of PETS, and weak acid strength was beneficial to inhibit the formation of carbon deposits. Brönsted and Lewis acid sites were present simultaneously on the SnCl 2 @HZSM-5 catalyst. Moreover, some extra Brönsted acid sites were created on the SnCl 2 @HZSM-5 catalyst, because the interaction of SnCl 2 with HZSM-5 may result in the exchange of Sn 2+ with protons. Both acid sites could catalyze the esterification reaction, and the Brönsted acid site was more beneficial to increasing PETS selectivity. Therefore, SnCl 2 @HZSM-5 showed the highest pentaerythritol conversion, PETS selectivity and catalytic stability. The generation of coke and the leaching of Sn were the main cause of catalyst deactivation. Under the optimized process conditions: 105 °C, 4.7 molar ratio of stearic acid and pentaerythritol, 1.2 wt % catalyst amount and 2.5 wt % SnCl 2 loading, after 3 h reaction time, the pentaerythritol conversion, PETS selectivity and yield was 99.3 %, 97.2 % and 96.5 %, respectively.

研究领域: 化学工程 · 催化科学
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COMBUSTION EXPLOSION AND SHOCK WAVES · 2023 ·Vol. 59 ·期 3 ·367-374 · IF 1.2

Research on the Application of the Thermite/Explosive Composite Material As a Detonator

Wang D.-W.,Li C.,Zhang L.,Zhu C.-G.

Abstract To develop a green primary explosive, we prepare an Al@KIO 4  nano-thermite using spray co-precipitation and then mix it with pentaerythritol tetranitrate (PETN) to form a PETN/Al@KIO 4  composite as a primary explosive. The thermite structure is characterized using X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy, which indicates that the thermite is about 200 nm and well distributed. The combustion performance is investigated using high-speed photography and confined combustion experiments. The results show that the detonation time of PETN/Al@KIO 4  composites is 60  \(\mu\) s earlier than that of pure PETN, indicating that the thermite accelerates the process of the deflagration-to-detonation transition of PETN. The detonation performance of the composites is investigated, and it is verified that PETN/Al@KIO 4  can initiate RDX successfully and be used as a primary explosive. Moreover, the safety performance and long-term storage performance of the composite are evaluated, which shows that the PETN/Al@KIO 4  composite performance is steady and the initiation effect does not change after 20 years of storage.

研究领域: 材料科学 · 爆炸化学
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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

Galla chinensis residue-derived carbon dots for sensitive detection of doxorubicin hydrochloride and cell imaging

Baoshan Tang,Fen Xiong,Lanxiang Liu,Juan Xu,Jinju Ma,Hong Zhang

As an antibiotic, the imbalance of the concentration of doxycycline hydrochloride (DOX) can cause many harms, so real-time detection of the DOX content is crucial. In this study, Galla chinensis residue (GCR) was used as a carbon source, m-phenylenediamine was used as an N-doping agent, and blue-green fluorescent carbon dots (N-GCRCDs) were prepared by a simple hydrothermal synthesis method, with a high quantum yield of 27.31 %. Under optimized conditions, a specific fluorescent probe was established to detect DOX. The addition of DOX resulted in a significant decrease in fluorescence intensity, with a detection range of 5.7–114.9 μM and the detection limit was 1.38 μM. Finally, the feasibility of this method was validated in human urine and the experimental results exhibited a DOX recovery rate of 97.45–104.41 % and an RSD of 0.91–2.64 %. The quenching mechanism was mainly attributed to the inner filter effect and static quenching. Furthermore, the potential application of N-GCRCDs in cells was studied and biocompatibility was evaluated using HepG2 cells, which showed low toxicity at concentrations of 0–50 μg/mL and successful application for HepG2 cell imaging. This study provides reference for resource utilization of GCR and quantitative detection of antibiotics.

CAS / MDL: 25316-40-9
研究领域: 材料科学 · 分析化学 · 生物医学工程 · 药学
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JOURNAL OF ETHNOPHARMACOLOGY · 2021 · IF 4.36

Stepwise tracking strategy to screen ingredient from Galla Chinensis based on the “mass spectrometry guided preparative chromatography coupled with systems pharmacology”

Zhongying Wang,Rui Xue,Mengying Lv,Yunyun Qi,Wei Yu,Zhiyong Xie,Wen Chen,Xinjun Wang,Xing Tian,Bo Han

Ethnopharmacological relevance Galla chinensis , a traditional Chinese herbal medicine, was widely used to treat ulcerative colitis (UC) in folk prescriptions, however, its active ingredients and mechanism of action in the treatment of UC remain unclear. Aim of the study The aim of our study was to discover the lead compounds and anti-inflammatory active ingredients of Galla chinensis and clarify their molecular mechanism for UC treatment. Materials and methods The ingredients of Galla chinensis were prepared by column and mass spectrometry guided preparative chromatography. Besides, the relationship among the ingredients of Galla chinensis and targets was predicted by systems pharmacology. Additionally, Lipopolysaccharide (LPS)-induced RAW264.7 macrophages were used as in vitro model. The cell viability, the level of the pro-inflammatory factors, the generation of reactive oxygen species (ROS), and trans epithelial electric resistance (TEER) values were detected to screen out the active ingredients of Galla chinensis . Moreover, 4% dextran sodium sulfate (DSS)-induced ulcerative colitis mice were used as the UC animal model. The disease activity index (DAI), pathological degree of colon tissue, activities of antioxidant-related enzymes and expression level of pro-inflammatory cytokines were performed to assess the anti-UC effects of the active ingredients. Meanwhile, the mRNA expression level of inflammatory factors and antioxidant related genes were analyzed by real-time quantitative polymerase chain reaction (Q-PCR). And the expression of nuclear factor erythroid-2 related factor 2 (Nrf2) pathway related proteins, intestinal mucosal proteins and nuclear factor kappa-B (NF-κB) pathway related proteins in colon tissues were analyzed by Western Blotting . Results Herein, a stepwise tracking strategy was adopted to screen out the anti-inflammatory active ingredients of Galla Chinensis based on "preparative chromatography pharmacology combined with mass spectrometry guidance and system". 11 categories of ingredients of Galla chinensis were prepared and ethyl gallate (EG) was screened out the lead compound and anti-inflammatory active ingredient of Galla Chinensis through in silico , in vitro and in vivo studies. In addition, EG had a significant therapeutic effect on ameliorating DSS-induced UC mice and protected intestinal mucosal integrity through Nrf2 and NF-κB signaling pathway. Conclusion Ethyl gallate was the lead compound and anti-inflammatory active ingredient in Galla chinensis . And it was discovered for the first time that EG could treat mice with ulcerative colitis. This research not only found the lead compound of Galla Chinensis for UC treatment and determined the possible mechanism, but also provided valuable references for finding lead compounds from natural products by systems pharmacology coupled with equivalent components group technology.

CAS / MDL: 89-57-6
研究领域: 药理学 · 药物化学 · 炎症性肠病 · 中药 · 系统生物学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2018 · IF 2.831

Rapid identification of urokinase plasminogen activator inhibitors from Traditional Chinese Medicines based on ultrafiltration, LC–MS and in silico docking

Li Li,Jing Kong,Chun-hua Yao,Xiu-feng Liu,Ji-hua Liu

The urokinase plasminogen activator (uPA) is regarded as the crucial trigger for plasmin generation, which is involved in several diseases especially for neoplasm metastasis. In this study, an efficient approach integrating ultrafiltration, LC/MS, bioassay and in silico docking, was proposed for rapidly detecting uPA ligands from Traditional Chinese Medicines (TCMs). Forty-two TCMs were initially assessed, and as illustrative case studies, Galla Chinensis and Sanguisorbae Radix, which appeared significant inhibitory activities on uPA, were chosen to develpe and verify the strategy. A total of seven uPA ligands were successfully detected and identified. Two of them, pentagalloylglucose and 28- O - β - d -glucopyranosyl pomolic acid, were demonstrated to be potential inhibitors, with IC 50 at 1.639 μM and 37.82 μM repectively. Furthermore, a combinatorial compound library screening combined with in silico docking assay, was revealed that ursolic acid (IC 50  = 2.623 μM) was also speculated to be a potent parent structure for inhibition of uPA. This approach offers a multidimensional perspective to discover uPA-binding leading compounds from TCMs or other complex mixtures, which would provide an efficient route for drug discovery.

CAS / MDL: 64-18-6
研究领域: 药理学 · 生物化学 · 中药学 · 药物发现
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Evidence-based Complementary and Alternative Medicine · 2022 · IF 2.65

A Simple and Portable Personal Glucose Meter Method Combined with Molecular Docking for Screening of Lipase Inhibitors

Hao Zhang,Feng-Qing Yang,Jian-Li Gao

With the increase of obesity incidence, the development of antiobesity drugs has aroused extensive interest. In this study, a simple and portable personal glucose meter (PGM) method based on the lipase-mediated reaction combined with molecular docking was developed for the screening of lipase inhibitors. Lipase can catalyse the hydrolysis of 4-acetamidophenyl acetate to form acetaminophen, which can directly trigger the reduction of K 3 [Fe(CN) 6 ] to K 4 [Fe(CN) 6 ] in the glucose test strips and generate an electrical signal that can be detected by the PGM. When lipase inhibitors exist, the yield of acetaminophen will be reduced and results in a corresponding decrease of the PGM signal. Therefore, the activity of lipase can be measured by the PGM. After optimization of the experimental conditions, the inhibitory activity of fourteen small-molecule compounds and fifteen natural product extracts on lipase were evaluated by the developed PGM method. The results indicate that tannic acid, (-)-epigallocatechin gallate, (-)-epigallocatechin, (-)-epicatechin gallate, and epicatechin have good inhibitory effect on lipase (% of inhibition higher than 40.0%). Besides, the natural product extracts of Galla Chinensis, lemon, and Rhei Radix et Rhizoma have a good inhibitory effect on lipase with % of inhibition of (97.5 ± 0.6)%, (88.1 ± 0.7)%, and (79.1 ± 1.6)%, respectively. Finally, the binding sites and modes of six small-molecule compounds on lipase were investigated by the molecular docking study. The results show that the developed PGM method is an effective approach for the discovery of potential lipase inhibitors.

研究领域: 药理学 · 生物化学 · 药物发现 · 分子生物学
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