JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Boxuan Lou,Yue Xu,Xiaolan Qin,Chang Liu,Shujun Wang,Haikuan Yuan,Xijian Liu,Lijuan Zhang,Jie Lu
In this work, the solubility of unsolvated crystalline (R)-equol in six (alcohols + n -heptane) binary solvents and that of solvated crystalline (R)-equol in methanol along with ethanol were firstly systematically measured and analyzed. The experimental results revealed that the solubility of unsolvated crystalline (R)-equol was positively correlated with temperature and mass fraction of alcohol. And the solubility order was 2-propanol > 1-propanol > 1-butanol > 1-pentanol > 3-methyl-1-butanol > 2-methyl-1-propanol > n -heptane. The transformation temperatures between unsolvated and solvated forms were acquired at 316.28 K and 310.50 K, respectively. Meanwhile, the experimental solubility data of unsolvated crystalline (R)-equol were correlated using modified Apelblat, λh , quartic polynomial and CNIBS/R-K equations, in which the modified Apelblat equation achieved the best regression performance. Besides, the dissolution of unsolvated crystalline (R)-equol was endothermic. Furthermore, solvent parameters, solvation free energy and molecular electrostatic potential surface obtained through molecular simulation were used to explain the experimental phenomena, and found the polarity of solvents, van der Waals and hydrogen bonding interactions made different contributions to various dissolution processes.
研究领域:
药学
·
物理化学
·
分子模拟
✓ 已验证
产品关联
DOI
高影响因子
Food Chemistry-X
·
2023
·
IF 6.1
Jialin Wu,Guangqun Lan,Na He,Laping He,Cuiqin Li,Xiao Wang,Xuefeng Zeng
A producing-fibrinolytic enzyme strain was isolated with high yield. The strain was identified as Bacillus amyloliquefaciens . B. amyloliquefaciens GUTU06 fibrinolytic enzyme was purified by acetone precipitation and reverse micelle. Acetone precipitation condition and reverse micelle condition were examined. Results showed that the total reverse micelle extraction efficiency was 64.49 % ± 1.6 %. The purification fold of the entire process reached 13.38. The optimum pH of purified enzyme is 5, and the optimum temperature is 45 °C. Fe 3+ and K + can enhance the fibrinolytic activity of the enzyme. Compared to commercial fibrinolytic enzymes such as urokinase and lumbrukinase, GUTU06 fibrinolytic enzymes have a lower pH optimal range and higher temperature stability. The molecular weight of the enzyme was approximately 28 kDa. Reverse micelle extraction with cetyl trimethylammonium bromide as a surfactant combined with acetone precipitation is suitable for separating and purifying fibrinolytic enzymes and a promising technique for obtaining active proteins.
研究领域:
生物化学
·
酶学
·
微生物学
·
生物技术
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Yameng Wan,Haixia He,Zibo Huang,Pengshuai Zhang,Jiao Sha,Tao Li,Baozeng Ren
In this work, solubility of 5-norbornene-2,3-dicarboximide (NODI) in three binary solvents (DMF + methanol, ethanol, ethyl acetate) was experimentally investigated by using laser monitoring technique at (278.15 to 323.15) K under 0.1 MPa. Solubility data of NODI increased as the temperature increased while reduced with the decreasing mass fraction of DMF. Hansen solubility parameter was employed to reveal the solubility behavior of NODI. Experimental solubility data was correlated by five thermodynamic models including NRTL, Wilson, uniquac, Margules and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, Margules, and uniquac model were more suitable to correlate NODI solubility than others. Besides, thermodynamic properties of mixing process (Δ mix G , Δ mix S , Δ mix H , H 1 E , ∞ , ln γ 1 and ln γ 1 ∞ ) were investigated based on solubility data and the Wilson equation. Mixing processes of NODI in three binary solvents were entropy-driven.
研究领域:
化学工程
·
物理化学
·
热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Yameng Wan,Haixia He,Pengshuai Zhang,Rui Zhao,Jiao Sha,Tao Li,Baozeng Ren
In this work, solubility of cis-5-norbornene-exo-2,3-dicarboxylic anhydride (himic anhydride) in binary solvents of (1,4-dioxane, DMF, NMP + ethanol) was experimentally determined by the gravimetric method ranged from 278.15 K to 323.15 K under 0.1 MPa. It was found that solubility of himic anhydride increased with elevating temperature while decreased as the mass fraction of ethanol increased. Solubility order of himic anhydride in three binary solvents was interpreted by comparing the interaction energy ( E inter ) between solute and binary solvents based on density function theory (DFT). Experimental solubility in binary solvents was correlated by the Two-Suffix Margules, NRTL, Wilson, uniquac and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, NRTL, uniquac and Two-Suffix Margules model are suitable to correlate the experimental solubility. Moreover, thermodynamic properties of dissolution process (Δ dis G , Δ dis S , Δ dis H , Δ mix G , Δ mix S , Δ mix H , H 1 E , ∞ , ln γ 1 and ln γ 1 ∞ ) were calculated by the Wilson equation. The dissolution process and mixing process of himic anhydride in selected binary solvents are entropy-positive.
研究领域:
化学工程
·
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2023
·
IF 2.6
Zhenghui Li,Yue Shen,Chunjuan Huang
Equilibrium solubility of 2-amino-6-chloropyrazine in ten pure solvents (methanol, ethanol, n -propanol, isopropanol, N,N -Dimethylformamide (DMF), acetonitrile, acetone, propylene glycol (PG), ethylene glycol (EG) and water) and four binary blends of ethanol/ n -propanol/PG/DMF plus water was experimentally measured by isothermal saturation method at 278.15 K to 323.15 K under p = 101.2 kPa. The maximum mole fraction of 2-amino-6-chloropyrazine in mono-solvents was obtained in neat acetone (5.053 × 10 -2 ) at 323.15 K. For four binary mixed systems, the amount of 2-amino-6-chloropyrazine dissolved in DMF + water was more than other three systems. For pure solvent systems, the temperature was the only factor that affected the dissolution of 2-amino-6-chloropyrazine, while temperature and solvent composition were both the factors that affected the dissolution of 2-amino-6-chloropyrazine. The solubility data of 2-amino-6-chloropyrazine in pure solvents was correlated with apelblat model, van’t Hoff model and Buchowski–Książczak λh model. The Jouyban-Acree model, Apelblat-Jouyban-Acree model and van’t Hoff-Jouyban-Acree model were applied to calculate the solubility data of 2-amino-6-chloropyrazine in mixtures. The van’t Hoff plots of the solubility of 2-amino-6-chloropyrazine was adopted as a method to show the relationship between ln × and 1 /T- 1 /T hm , which was the basis for calculating thermodynamic properties. The preferential solvation performance in mixed systems was estimated by the values of δx 1,3 , in 0.19 < x n-propanol/PG/DMF < 1 and 0.23 < x ethanol < 1, the 2-amino-6-chloropyrazine was preferentially dissolved in organic solvents. In contrast, the 2-amino-6-chloropyrazine was dissolved preferentially in water in other intervals. What’s more, the solvent effect of 2-amino-6-chloropyrazine in mixed systems was obtained, the hydrogen bond interaction was the only factor that affects dissolution in alcohols + water and the solvent–solvent molecular interaction was dominant in DMF + water.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
Joule
·
2024
·
IF 38.6
Boya Wang,Wanhai Zhou,Yanyan Zhang,Tengsheng Zhang,Xinran Li,Yutong Feng,Ruizheng Zhao,Wei Li,Ahmed Elzatahry,Yasser Hassan,Dongyuan Zhao,Dongliang Chao
Potassium-sulfur electrochemistry represents a compelling energy storage technology due to its cost-efficient chemicals and unparalleled capacity. However, achieving high sulfur redox utilization (SRU) remains a great challenge during K + storage due to K 2 S n kinetics inertia. Here, for the first time, we unveil an aqueous K + -S electrochemistry, leveraging boosted K 2 S n conversion kinetics in water. A stable two-electron charge transfer process is achieved via tuning K 2 S solubility. Spectroscopic evaluation and molecular dynamics simulations reveal a unique solid-liquid-solid conversion pathway (S ↔ K 2 S 4 ↔ K 2 S), which effectively avoids soluble K 2 S shuttling. Consequently, an unprecedented K + storage capacity of 1,619 mAh g −1 ( ca. 96% SRU) can be achieved with 95% initial Coulombic efficiency, appealing cyclability over 500 times, and a high-energy density of 392 Wh kg S+Zn −1 . These findings signify a paradigm shift and introduce transformative opportunities for the design of safe and high-energy aqueous batteries.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
高影响因子
Small
·
2024
·Vol. 20
·期 44
·2404581
·
IF 13
Pengxiang Zhang,Feng Dang,Xin Zhang,Ce-Wen Nan,Bao-Wen Li
Printing technology enables the integration of chemically exfoliated perovskite nanosheets into high-performance microcapacitors. Theoretically, the capacitance value can be further enhanced by designing and constructing multilayer structures without increasing the device size. Yet, issues such as interlayer penetration in multilayer heterojunctions constructed using inkjet printing technology further limit the realization of this potential. Herein, a series of multilayer configurations, including Ag/(Ca 2 NaNb 4 O 13 /Ag) n and graphene/(Ca 2 NaNb 4 O 13 /graphene) n ( n = 1–3), are successfully inkjet-printed onto diverse rigid and flexible substrates through optimized ink formulations, inkjet printing parameters, thermal treatment conditions, and rational multilayer structural design using high- k perovskite nanosheets, graphene nanosheets and silver. The dielectric performance is optimized by fine-tuning the number of dielectric layers and modifying the electrode/dielectric interface. As a result, the graphene/(Ca 2 NaNb 4 O 13 /graphene) 3 multilayer ceramic capacitors exhibit a remarkable capacitance density of 346 ± 12 nF cm −2 and a high dielectric constant of 193 ± 18. Additionally, these devices demonstrate moderate insulation properties, flexibility, thermal stability, and chemical sensitivity. This work shed light on the potential of multilayer structural design in additive manufacturing of high-performance 2D material-based ceramic capacitors.
研究领域:
材料科学
·
电子工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FUSION SCIENCE AND TECHNOLOGY
·
2026
·
IF 1.2
Hu Wang,Chao Fang,Zhengbao Yu,Jin Liu,Jing Huang,Jing Wei,Weihua Wang,Wei Lu,Xiaowu Yu
The thermal conductivity of epoxy resin decreases sharply to approximately 0.01 W·m−1·K−1 at 4 K, significantly limiting its application in nuclear fusion engineering. To address this limitation, this study prepared epoxy composite reinforced with silver, diamond, or wollastonite at 50 vol % and 70 vol %, and systematically investigated their 4-K thermal conductivity. The results demonstrated that at 70 vol %, the silver epoxy composite achieved a thermal conductivity of 5 W·m−1·K−1, which is more than two orders of magnitude higher than that of the diamond-epoxy composite (0.05 W·m−1·K−1). At 50 vol %, the silver epoxy composite (0.12 W·m−1 ·K−1) exhibited similar thermal conductivity to the wollastonite epoxy composite (0.1 W·m−1·K−1). Increasing the silver filler from 50 to 70 vol % enhanced the thermal conductivity from 0.12 to 5 W·m−1·K−1, representing a 42-fold improvement.Through combined theoretical analysis, microstructural characterization, and finite element analysis, the following conclusions were drawn. The electron conduction–dominated fillers were the preferred choice for the cryogenic thermal conductivity epoxy composite. In the discrete composite, even the electron conduction–dominated filler could not significantly improve the cryogenic thermal conductivity of the epoxy composite; even 50 vol % silver only reached approximately 0.12 W·m−1 ·K−1. The synergistic effect between the filler type and the distribution (electron conduction–dominated filler combined with continuous filler distribution) can substantially enhance the cryogenic thermal conductivity of the epoxy composite. This work provides technical support for the design of high-performance thermal management materials for superconducting magnet cooling systems in fusion reactors.
✓ 已验证
产品关联
DOI
高影响因子
Materials Today Communications
·
2024
·
IF 3.7
Shengtao Liang,Junshan Hu,Ming Xu,Luxiang Xu,Hao Fu
The effect of K + ions doping on YbVO 4 : Er 3+ was studied under the excitation of a 980 nm laser. The intensity of multiple emission peaks increased was found to be enhanced at 527 nm ( 2 H 11/2 → 4 I 15/2 ), 553 nm ( 4 S 3/2 → 4 I 15/2 ), 654 nm ( 4 F 9/2 → 4 I 15/2 ), and 803 nm ( 4 I 9/2 → 4 I 15/2 ), including green, red, and near-infrared spectra. The optimal doping concentration was 0.1 K + ions in YbVO 4 : 0.02Er 3+ . The enhancement of upconversion luminescence is attributed to the presence of defect bands, which facilitate the absorption of excited photons and enable effective energy transfer from abundant electrons to Yb 3+ ( 2 F 5/2 ) and Er 3+ ( 4 I 11/2 ) ions. YbVO 4 : Er 3+ /K + was utilized in a three-mode temperature sensor, employing TCEL modes of 2 H 11/2 / 4 S 3/2 , NTCEL modes of 2 H 11/2 / 4 F 9/2 and 4 S 3/2 / 4 F 9/2 , and single luminescence intensity at I 803 . It exhibited maximum relative sensitivities of 1.36 % (298 K), 0.77 % (398 K), 0.44 % (298 K), and 1.69 % (623 K), respectively, highlighting its potential in high-precision optical temperature sensing applications.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
CARBON
·
2021
·
IF 9.594
Na Yang,Rong Shao,Zhengping Zhang,Meiling Dou,Jin Niu,Feng Wang
Gelatin, a natural macromolecular substance formed by the hydrolysis of collagen, offers the advantages of abundant resources and low cost. It is a good precursor for the synthesis of N, O-doped carbon materials. Although some gelatin-derived carbon materials have been used for electrochemical energy storage , there have been few studies for the mechanism of gelatin carbonization . In addition, the influence of heteroatoms and defects on the K-ion storage performance remains unclear. In this work, in situ and ex situ characterization methods have been used to study the mechanism of gelatin carbonization. The pathways leading to formation of the carbon framework, heteroatom doping and defect generation in gelatin-based carbons during the pyrolysis process have been clearly identified. Moreover, by means of DFT calculations and experimental measurements, it has been confirmed that heteroatoms and defects both play important roles in improving the storage performance of potassium ions. By virtue of its abundance of both heteroatoms and defects, our optimized anode shows better electrochemical performance than graphite anodes. This study not only clarifies our understanding of carbonization mechanism and mechanism of K-ion storage in carbon materials, but also provides pathways for the synthesis and applications of new carbon-based anode materials for alkali-ion batteries.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF POWER SOURCES
·
2024
·
IF 8.1
Shuang Liu,Ying Wang,Zhengxin Zhu,Jingwen Xu,Zuodong Zhang,Kai Zhang,Song Jin,Zehui Xie,Taoli Jiang,Xiaoyang Wang,Zaichun Liu,Jinghao Chen,Qia Peng,Muhammad Sajid,Touqeer Ahmad,Wei Chen
Rechargeable hydrogen gas batteries are gaining significant attention as a highly reliable electrochemical energy storage technology. However, the high costs of both cathode and anode limit their widespread applications. Here, we demonstrate a low-cost H 2 /K + hybrid battery using Fe–Mn-based Prussian white - K 2 · 74 Mn[Fe(CN) 6 ] 0.90 ·0.13H 2 O (KMF) as cathode and non-noble metal high entropy alloy (NNM-HEA) as anode. It demonstrates a high capacity of 146.1 mAh g −1 at 1 A g −1 with excellent rate performance and stability. Even with a ∼7-fold increase in active loading of the KMF cathode, the capacity of the H 2 /K + battery remains as high as 100.5 mAh g −1 . Furthermore, a low-cost H 2 /K + hybrid battery using our newly developed NNM-HEA based hydrogen catalytic anode is successfully fabricated, which shows an extended capacity with a retention of 90% after 1200 cycles. This work will pave the way for designing low-cost electrode materials for high-performance, large-scale energy storage hydrogen gas batteries.
研究领域:
材料科学
·
能源存储技术
✓ 已验证
产品关联
DOI
高影响因子
BMEMat
·
2024
·
IF 0
He Ren,Zewen Wu,Jingxuan Li,Nan Zhang,Coo Yee Nah,Jiexin Li,Jingyu Zhang,Jonathan F. Lovell,Liyun Zhang,Yumiao Zhang
Rheumatoid arthritis (RA) is a systemic autoimmune disease that leads to the destruction of articular cartilage and bone. RA is characterized by immune cell infiltration and abnormal proliferation of synoviocytes in the joints. Herein, we developed a biomimetic formulation via co-loading the anti-inflammatory agent Celastrol (Cel) along with the stabilizer Vitamin K (VK) in antirheumatic methotrexate (MTX)-conjugated Pluronic F127 (F127) micelles. Micelles were then coated with B cell derived membrane, yielding MTX loaded Cel Micelle (CeViM)-micelle@B, which were investigated for RA treatment. VK, used at levels well within safety margins, was identified as a carrier compound that could stabilize Cel within micelles, increasing the encapsulation efficiency of Cel. In addition, MTX, a front-line RA therapeutic, was chemically grafted to F127 via a responsive linker sensitive to the chemically reducing environments. As such, CeViM-micelle@B released pristine MTX in response to the intracellular reducing environments, which combined with Cel to suppress pro-inflammatory responses. B cell membrane coating enhanced accumulation of CeViM-micelle@B in joints, leading to a 75% decrease of inflammatory cytokine secretion in vitro, and significantly ameliorated cartilage and bone structures in the collagen-induced arthritis murine model. Taken together, this biomimetic nanoparticle holds potential as a next-generation targeted RA treatment.
研究领域:
免疫学
·
药理学
·
纳米医学
·
自身免疫疾病
✓ 已验证
DOI
危险品化学品经营许可证（带存储）