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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2021 · IF 4.539

Impact of EO chain length of dodecanol ethoxylates (C12En) on the rheological properties and physical stability of pesticide suspension concentrate

Shupeng Zhang,Jian Wang,Xiaodong Yang,Bo Zhang,Tianrui Ren

Rheological measurement can provide not only the shear-induced but also strain-induced microstructural changes, as well as transient network formation and subsequent recovery with time. It has been explored as a useful tool for probing the interparticle interactions which govern the physical stability of concentrated suspension. However, its application in pesticide formulation is rarely investigated. Herein, the rheological properties of 25% mancozeb suspension concentrate stabilized with nonionic surfactants dodecanol ethoxylates (C 12 E n , n = 3, 7, 9, 15, 20) were studied. The steady-state shear measurement showed that all the 25% mancozeb suspension concentrate displayed shear-thinning flow. The experimental flow behavior followed prediction of Herschel–Bulkley model with the correlation coefficients greater than 0.99. Oscillatory shear measurements showed the viscoelastic response of 25% mancozeb suspension concentrate transformed from solid-like to gel-like viscoelasticity with the addition of C 12 E n . As the EO chain length of C 12 E n increased, the apparent viscosity and elastic modulus decreased initially, followed by an increase behavior. The thixotropic response of mancozeb formulations was evaluated by applying a three-step test. It turned out that the addition of C 12 E n changed the mancozeb suspension concentrate from normal viscoelastic fluid to inelastic thixotropic material, and the recovery of viscosity gradually decreased as the EO chain length increased. Besides, the influence of C 12 E n on suspension rate and particle size of 25% mancozeb suspension concentrate was investigated. The results showed that C 12 E 9 performed best in improving the physical stability of the formulations before and after thermal storage. From SEM imagines of mancozeb particles, it was found that the aggregation was inhibited by C 12 E 9 , which was also responsible for the best dispersibility, minimum apparent viscosity and elastic modulus of 25% mancozeb suspension concentrate with the addition of C 12 E 9 .

CAS / MDL: 107-21-1
研究领域: 农药科学 · 化学工程 · 应用化学
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LANGMUIR · 2025 · IF 3.9

Synthesis and Properties of Isononyl-Extended Multibranched Alcohol Polyether Nonionic Surfactants

Yao He,Zexiang Bi,Qiang Zhang,Shuang Lu,Zhijian Huang,Xiaochao Zhang,Xu Li,Jinxiang Dong

Isononanol, a branched aliphatic alcohol, is derived from isobutylene upgradation, encompassing dimerization and hydroformylation. Branched surfactants exhibit lower surface tension, superior wettability, and rapid defoaming compared to linear surfactants. Isononanol (C9–OH) with abundant methyl branching can serve as a hydrophobic tail of branched surfactants, suffering from insufficient lipophilicity due to its short effective chain length. This paper proposes a strategy to extend the hydrophobic tail by grafting one propylene oxide (P1) or butylene oxide (B1) to increase chain length and branching degree with the aim of synthesizing extended multibranched alcohols C9P1–OH and C9B1–OH with purities of 95.3 and 97.2%, respectively. Subsequently, a series of extended multibranched alcohol polyether nonionic surfactants (C9P1En and C9B1En) were synthesized by ethoxylation, with their structures confirmed by Fourier-transform infrared (FT-IR) and 1H NMR and their surfactant properties systematically investigated. The findings indicate that C9P1En and C9B1En exhibited lower γCMC values compared to the isononanol polyether surfactant (C9En), which allows for rapid wetting on a hydrophobic surface, especially C9B1E6 with an initial contact angle of only 54° compared to 80° for C9E6. Also remarkable is the rapid defoaming performance, with C9B1E6 having less than 0.1% of the initial foam volume but C9E6 having up to 50.1% foam volume after 30 s. These surfactant performances provide significant benefits for the potential application of branched nonionic surfactants in the industrial cleaning field.

研究领域: 化学工程 · 材料科学 · 表面活性剂研究
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JOURNAL OF APPLIED POLYMER SCIENCE · 2023 ·Vol. 140 ·期 32 ·e54250 · IF 3

Synergistic modification of short-chain fluoro-alcohol and siloxane end-capping agents endowing an enhanced superhydrophobic waterborne polyurethane coating

Bolin Wang,Nana Zhao,Jiawei Wu,Zhicheng Pan,Cheng Zhao,Mingwang Pan

Waterborne polyurethane (WPU) is an environmentally friendly product that can replace organic solvents with water. Still, its linear molecular chain structure and the presence of hydrophilic groups greatly affect water resistance and mechanical properties, limiting its wide application in the field of coatings. Herein, a series of fluorosilicone modified waterborne polyurethanes (FSiWPUs) were prepared by introducing tridecafluoro-nonanol (TFN) and (3-aminopropyl) triethoxysilane (APTES) into the ends of molecular chains of WPUs. These chains were constituted by different soft segments, including polybutylene adipate glycol, polycarbonate diol, or polytetramethylene ether glycol. Then fluorine element in TFN migrates and aggregates onto the surface during FSiWPU film-forming to reduce the surface energy. Meanwhile, the hydrolytic condensation of APTES forms a Si–O–Si micro-crosslinking structure. As a result, the two capping agents enable the modified FSiWPU to have better hydrophobicity, water resistance, and mechanical properties. The research results show that when the TFN:APTES molar ratio of capping agents introduced is 8:2, the static water contact angles of FSiWPUs with different soft sections reach 161.4°–165.3° and the maximum water absorption rate reduce to 8.9%–13.78%. Due to the simultaneous improvement of hydrophobic, water resistance, and mechanical properties, the modified FSiWPUs become the most promising candidates for superhydrophobic coatings.

研究领域: 材料科学 · 表面化学
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BIOCHEMICAL ENGINEERING JOURNAL · 2024 · IF 3.7

Odorant-binding proteins as recognition elements for smell exploration

Yi Wang,Chuanting Qin,Xiaoxue Wang,Ting Wang,Jian Dong,Yuan Lu

The sense of smell in animals enables them to detect and discriminate among many volatile odor molecules in complex environments. This task is accomplished by the family of G-proteins (olfactory receptor proteins, odorant-binding proteins, and chemosensory proteins). Here, we mechanistically elucidate how odors bind to odorant-binding proteins (OBPs) by studying the binding properties of 50 odorant ligands to six OBPs. We confirmed that OBP7 from Ailuropoda melanoleuca and OBP9 from Anopheles gambiae have binding affinities for 16 odors, and further analyzed the structures and protein-ligand interactions by homology modeling and molecular docking. This study found that OBP7 had an affinity for nonanol and camphor, and the docking results indicated that Glu120 was a residue that played a key role in the binding process of OBP7 to odorant ligands. We also explored the binding properties between OBP9 and ligands as well as the binding mechanism, and found that OBP9 bound well to some odorant molecules with repellent efficacy, such as nonanol, camphor, and citral. These findings not only contributed to our understanding of how OBPs were sensitively bound to odorant ligands but also promoted them as suitable targets for applied research in various industrial fields such as pesticides, cosmetics, and pharmaceuticals.

研究领域: 分子生物学 · 生物化学 · 神经科学 · 化学生物学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Liquid–Liquid Equilibria for Systems of Ethanol + Octanol + Nonanol + Dodecane + Tridecane + Water at Different Temperatures under Atmospheric Pressure

Shenfeng Yuan,Yi Chen,Hong Yin,Zhirong Chen

In this work, the suitability or potential of ethanol aqueous solutions as a solvent for the extraction of alcohols from alcohol–alkane mixtures was studied. Experimental liquid–liquid equilibria (LLE) data of four quaternary systems {ethanol (1) + octanol (2) + dodecane (4) + water (6)}, {ethanol (1) + octanol (2) + tridecane (5) + water (6)}, {ethanol (1) + nonanol (3) + dodecane (4) + water (6)}, and {ethanol (1) + nonanol (3) + tridecane (5) + water (6)} were determined at T of 293.15, 298.15, and 303.15 K under atmospheric pressure. The nonrandom two-liquid model model was used to correlate binary interaction parameters. The parameters obtained from quaternary systems were used to predict six-component system LLE data. The predicted LLE data were in good agreement with the experimental data. The results showed that 75 wt % ethanol aqueous solution was suitable for separating octanol and nonanol from octanol + nonanol + dodecane + tridecane mixture and that 298.15 K was the suitable temperature.

CAS / MDL: 112-40-3 143-08-8
研究领域: 化学工程 · 物理化学 · 热力学
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ACS Omega · 2019 · IF 2.584

Dual Actions of a Commercial Sorbitol Derivative on Crystallization Behavior of Poly(1,4-butylene adipate)

Kai Zhang,Cai-Shui Wang,Qian Zhou,Hai-Mu Ye

Biodegradable poly(1,4-butylene adipate) (PBA) has been highlighted of distinct polymorphism and receives extensive research by adding nucleating agents. Usually, only a single nucleating mechanism is proposed for each composite system, which should not be sufficient. In present work, 1,2,3-trideoxy-4,6:5,7-bis-O-[(4-propylphenyl)methylene]-nonitol sorbitol (NX), a commercial sorbitol derivative, was incorporated into the PBA matrix to regulate the crystallization behavior. It is found that the non-isothermal crystallization temperature rises first and then declines, but the α-form crystal-forming ability becomes stronger with the increasing NX content, which is due to the limited solubility of NX in PBA. When NX is totally dissolved, the specific butterfly molecular shape of NX helps PBA chains form the gauche conformation, simultaneously promoting the crystallization rate and α crystal formation. However, once the NX content is ≥1%, crystallites of NX appear and play as physical cross-linking points for PBA chains; then, the mobility restriction becomes the major mechanism, which would slow down the crystallization rate but significantly enhance the formation of the α-form crystal-forming ability. PBA/NX composites possess a considerably lower degradation rate than neat PBA. Thus, this work demonstrates a novel additive of the dual mechanism to regulate the crystallization behavior and further the degradation rate of PBA.

研究领域: 材料科学 · 聚合物化学 · 生物可降解聚合物
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Liquid-Liquid Equilibrium Measurement and Modeling of Methyl 2-Hydroxyisobutyrate, Water, and Different Extractants at 303.2 K

He Ma,Houchun Yan,Menghao Du,Yingmin Yu,Qingsong Li

To separate methyl 2-hydroxyisobutyrate from an aqueous solution, alkyl alcohols were selected as extractants. The liquid–liquid equilibrium data for the system {water + methyl 2-hydroxyisobutyrate + extractants (1-hexanol, 1-heptanol, 1-octanol, and 1-nonanol)} were determined at a temperature of 303.2 K. The partition coefficients and separation factors were calculated to assess the effectiveness of the extraction process. Additionally, the data were correlated using the NRTL and UNIQUAC models, with parameter regression conducted accordingly. The GMcal_TieLinesLL tool was utilized to evaluate the regression model parameters, and the results conformed to the Gibbs stability criterion. The present study further investigates the separation mechanism through analyses of σ-profile, deformation charge density, interaction energies, and Reduced Density Gradient (RDG) analysis. Ultimately, it was concluded that 1-nonanol exhibited the most effective extraction performance.

研究领域: 化学工程 · 分离过程 · 物理化学 · 热力学 · 萃取 · 分子建模
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2023 · IF 4.3

Investigation on the changes of odor-active compounds of Amomum tsao-ko during natural drying

Yajian Wu,Runhu Xin,Miao Liang,Zhimin Zhang,Wei Guan,Rui Wang,Yuping Liu

To characterize the key odorants in Amomum tsao-ko (AT) and to investigate their changes during natural drying, volatile compounds of AT were extracted and analyzed by solvent extraction combined with solvent-assisted flavor evaporation and gas chromatography mass spectrometry–olfactometry. A total of 41 aroma-active compounds with flavor dilution factors ranging from 3 to 6561 were identified in AT. Fourteen odorants were determined to be the key odorants by quantitation analyses, odor activity value (OAV) calculations, recombination and omission experiments. To further investigate the changes in aroma components in AT during natural drying, the concentrations and OAVs of odor-active compounds were measured at 0, 2, 4, 6, 8, 12, 16, and 20 days. The results showed that the number of aroma-active components did not change during natural drying, but their content changed with different trends. The concentration of geraniol showed a continuous upward trend; those of hexanal , octanal , nonanal and pinocarvone decreased first and then increased; those of α -pinene, sabinene , 2-nonanone, ( E )− 2-octenal, 2-nonanol, 4-terpineol, epidolichodial and ( E , E )− 2,4-dodecadienal changed on a fluctuating trend, while those of the other 28 compounds showed a trend of first increasing and then decreasing. These results provide a theoretical basis for further utilization of AT.

CAS / MDL: 13466-78-9
研究领域: 食品科学 · 农学 · 化学工程 · 分析化学
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FOOD CHEMISTRY · 2023 · IF 8.8

Aroma characteristics of flaxseed milk via GC–MS-O and odor activity value calculation: Imparts and selection of different flaxseed varieties

Yang Yue,Chao Wang,Yashu Chen,Mingming Zheng,Yi Zhang,Qianchun Deng,Qi Zhou

Currently, the effect of varieties on the flavor and stability of flaxseed milk remains unknown. Therefore, this study was conducted to investigate the effects of different varieties on the stability, sensory, and aromas of flaxseed milk. 51 volatile compounds were identified in flaxseed milk using Stir Bar Sorptive Extraction-Gas Chromatography-Olfactometry-Mass Spectrometry (SBSE-GC-O-MS). Among them, 1-octen-3-ol, 2-methoxy-4-vinylphenol, and 2,3,5-trimethylpyrazine contributed higher relative odor active values (ROAV), resulted in the fruity, roasted, sweet, and cucumber in flaxseed milk. Isovaleraldehyde (green notes) was not detected in XHZM. However, other compounds such as 1-nonanol (floral), γ-nonanolactone and γ-octanoic lactone (coconut milk) had higher concentrations, causing a better sensory evaluation. Additionally, its stability was relatively good. The orthogonal partial least-squares regression (OPLS) model and VIP values showed that eight compounds were responsible for the sensory differences from different varietals. The study provided references to selection and understanding flavor composition basis of flaxseed milk.

研究领域: 食品科学 · 分析化学 · 农学
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