INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2025
·
IF 8.5
Ying Lu,Xiangzhou Li,Jun Zhou,Peng Zhou,Jiajia Lai,Yanhong Yang,Liqun Shen
The unique structure of chitosan-based micelles can be loaded with essential oil, so it is significant to study the modification of chitosan and the interactions between chitosan and essential oil, while molecular dynamics (MD) simulation and density functional theory (DFT) provide a solution. In this study, three kinds of amphiphilic chitosan derivatives (CSDs) were constructed by grafting of different hydrophilic and hydrophobic groups. Amphiphilic chitosan micelles loaded with Chinese fir essential oil (CFEO) were prepared by self-assembly. The aggregation behavior of CFEO component (cedrol and α-cedrene) in the solutions of chitosan and three CSDs were simulated using MD, and the mean square displacement was calculated. DFT analyzed the mechanism for regulating the molecular properties of CSDs by different modification methods, and explored the intensity and type of interaction force between cedrol/α-cedrene and three CSDs. The results show that cedrol and α-cedrene were more easily aggregated near the modified CSDs, with CS-g-PLA showing the strongest trapping ability. The grafting of polylactic acid on chitosan resulted in a significant decrease in HOMO-LUMO energy gap and an increase in reactivity activity. Widely distributed hydrogen bonding and van der Waals forces were confirmed to be the key to enhanced loading capacity.
研究领域:
生物化学
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材料科学
·
计算化学
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DOI
PubMed
高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2019
·
IF 3.131
Yang Xiang,Manglai Gao,Fan Ding,Tao Shen
Imidazolium-based gemini surfactants were attracted extensive attention in recent years with varied benefits such as good biodegradability , low irritant and little toxicity. In this paper, a series of imidazolium-based gemini surfactants with a four-methylene spacer and long hydrophobic chains ([C n -4-C n im]Br 2 , n = 12, 14, 16) were fabricated for modification of vermiculite. The primary characterization of organo-vermiculites (OVts) like Infrared spectroscopy (FT-IR), X-ray diffraction (XRD), thermogravimetric analysis (TG-DTG), scanning electron microscope (SEM), wettability and Elemental Analysis were carried out. The resultant OVts were used to remove dimethyl phthalate (DMP) from aqueous solution, particularly C 14 -4-C 14 im-Vt showed the most promising adsorbability (274.4 mg g −1 ) which is efficient comparing with other adsorbents. The adsorption processes turned out to follow the pseudo-second-order and Langmuir isotherm. Furthermore, the wettabilities of OVts followed the order: C 14 -4-C 14 im-Vt > C 12 -4-C 12 im-Vt > C 16 -4-C 16 im-Vt, which appeared in a positive correlation with the adsorption capacities. Draw a conclusion the sorption occurred primarily via hydrophobic interaction and π–π interaction between OVts and DMP. C 14 -4-C 14 im-Vt could be favorably reproduced by ethanol at least for five cycles. It provides some new thoughts for the possibility of design and synthesis of OVts as high-efficiency adsorbents.
研究领域:
环境科学
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材料科学
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DOI
高影响因子
Journal of Materiomics
·
2021
·
IF 6.425
Di Peng,Shengan He,Yuyan Zhang,Liqin Yao,Wendong Nie,Zhijian Liao,Wenting Cai,Xinyu Ye
The demand for in-situ detection of latent fingerprints (LFPs) in ways of high sensitivity, high selectivity, high contrast, low cost and user-friendly is still urgent. To overcome this challenge, a moisture-stable, red-emitting fluoride phosphor K 3 AlF 6 :Mn 4+ (KAF:Mn 4+ ) with an organic hydrophobic skin was prepared. The phosphor has a uniform and superfine morphology with excellent luminescence properties. More importantly, this non-ultraviolet (UV) or non-near infrared (NIR) induced phosphor was proved to be an ideal fluorescent label for LFP imaging, which is both friendly for touch DNA analysis and compatible to forensic light sources. The well-defined ridge details with little background interference on various surfaces were presented by the oleic acid (OA) modified KAF:Mn 4+ (KAF:Mn 4+ -OA) phosphor in few seconds using the powder dusting method. To confirm the high selectivity of KAF:Mn 4+ -OA for LFP imaging, an efficient quantitative evaluation method is proposed with the aid of ImageJ & Origin software. Due to the superiority of the Mn 4+ -doped fluoride for the rapid imaging of LFPs in terms of low-cost, high compatibility and good availability, it is expected to be a promising candidate for forensic science as well as fluorescence imaging in other fields instead of rare earth luminescent materials.
研究领域:
法医学
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材料科学
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光学成像
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高影响因子
Polymers
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2019
·Vol. 11
·期 6
·991
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IF 3.164
Alberto García-Peñas,Chandra Sekhar Biswas,Weijun Liang,Yu Wang,Pianpian Yang,Florian J. Stadler
For the preparation of thermoresponsive copolymers, for e.g., tissue engineering scaffolds or drug carriers, a precise control of the synthesis parameters to set the lower critical solution temperature (LCST) is required. However, the correlations between molecular parameters and LCST are partially unknown and, furthermore, LCST is defined as an exact temperature, which oversimplifies the real situation. Here, random N-isopropylacrylamide (NIPAM)/dopamine methacrylamide (DMA) copolymers were prepared under a systematical variation of molecular weight and comonomer amount and their LCST in water studied by calorimetry, turbidimetry, and rheology. Structural information was deduced from observed transitions clarifying the contributions of molecular weight, comonomer content, end-group effect or polymerization degree on LCST, which were then statistically modeled. This proved that the LCST can be predicted through molecular structure and conditions of the solutions. While the hydrophobic DMA lowers the LCST especially the onset, polymerization degree has an important but smaller influence over all the whole LCST range.Keywords:N-isopropylacrylamide;lower critical solution temperature;thermoresponsive polymers;hydrophobic interactions;statistical modeling
研究领域:
生物材料
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高分子化学
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生物医学工程
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DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
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2019
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IF 8.456
Jinhua Wang,Yu Huang,Ke You,Xian Yang,Yongjun Song,Hai Zhu,Fan Xia,Lei Jiang
Precise control of a biological droplet’s adhesive force on a liquid-repellent surface for smart antifouling systems is critical and fundamental to scientific research and industrial applications. Although slippery surfaces with stimuli-responsive wetting behaviors have been reported, challenge still remains in designing responsive biological droplets to achieve controllable adhesion and antifouling property. Here, we developed a thermoresponsive biological droplet adhesion system to precisely control its adhesion on the lubricant-infused slippery surface. Single-stranded DNA (ssDNA) in the biological droplet displays molecular configuration reversible deformation under external thermal stimuli. This property ascribes to the changing amount of exposed hydrophobic moieties of ssDNA, which strongly affects the interfacial hydrophobic interaction with the lubricant. This work may improve the understanding of the principles underlying liquid–lubricant interfacial adhesion, open up opportunities for a new class of antifouling systems, and provide a promising system for controllable manipulation of liquids’ motion in biochips and microreactor devices.
研究领域:
材料科学
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生物物理
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表面化学
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微流控
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2019
·
IF 5.399
Hui Shen,Mingquan Huang,Mouming Zhao,Weizheng Sun
Typical ketone flavours (with variations in chain length, position and number of keto group, branched chain) were selected to investigate the effect of molecule structure of ketones on their interactions with myofibrillar proteins (MPs). Results showed that 2,3-pentanedione quenched the fluorescence of MPs more effectively than 2-pentanone and 3-pentanone due to the number of keto group. There was no significant difference between 5-methyl-2-hexanone and 2-heptanone, which was attributed to their similar molecular size and polarity. The quenching effect of homologous ketone flavours increased with carbon chain growth due to the higher hydrophobic interaction. Dynamic quenching played a major role in the fluorescence quenching process of MPs by 2-pentanone, 3-pentanone, 5-methyl-2-hexanone, 2-heptanone and 2-octanone. The α-helix content decreased gradually with the increase of ketones concentration. Results of GC/MS were in accordance with the fluorescence quenching analysis generally, whereas 2,3-pentanedione and 2-nonanone exhibited some differences due to their higher steric hindrance effects.
研究领域:
食品科学
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蛋白质化学
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香料化学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Wen-Xuan Hu,Jia-Yang Fu,Liang-Sen Liao,Ping Wang,Kexin Wang,Chang-Sen Jin,Xiuzhu Yu,Shuang-kui Du
Layer-by-layer assembly systems for functional proteins and polypeptides are gaining interest in food nutrition due to their health benefits. However, understanding the interactions between core-template materials and proteins remains challenging. This study investigated the complexation between oxidized and carboxymethylated starch nanocrystals (OSNC and CSNC) and lysozyme (LYS). Optimal complexation was achieved at pH 6 without ionic strength, and with a higher degree of modification. At LYS concentrations of 0.5 mg/mg and 0.25 mg/mg, OSNC and CSNC achieved maximum binding capacities of 0.417 mg/mg and 0.178 mg/mg, respectively. Micromorphologies showed LYS was primarily bound to the nano-lamellar surface of OSNC and CSNC. Although electrostatic interactions were predominant, hydrophobic interactions also contributed to CSNC-LYS complexation. LYS was nearly fully released (0.419 mg/mg for OSNC-LYS and 0.178 mg/mg for CSNC-LYS) with minimal impact on its structure and bioactivity. These findings provide a foundation for stabilizing proteins and polypeptides in functional foods.
研究领域:
食品科学
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生物化学
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DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2025
·
IF 8
Yiting Zhang,Bing Li,Qianying Ding,Xiaoli Liu,Jiaxuan Ma,Xuan Yao,Zhijun Xia,Yuanyuan Liu,Yongguo Jin
Compared with natural proteins, protein microgels better enhance the performance and stability of high internal phase Pickering emulsions (HIPPEs), with promising food industry applications. In this study, ovalbumin-resveratrol (OVA-RES) composite microgel particles were synthesized via a top-down approach to fabricate HIPPEs, which showed significant improvements in viscoelasticity, storage, centrifugal, and thermal stability. To clarify the stabilization mechanism, the morphology, structure, and physicochemical properties of composite microgels under different RES concentrations were characterized. The results revealed that the optimal performance was attained at a RES concentration of 0.12 mM: at this concentration, RES induced a conformational transition of OVA primarily through hydrophobic interactions. Specifically, the α-helix content decreased from 23.65 % to 12.60 %, the β-sheet content increased from 36.55 % to 49.20 %, and the free sulfhydryl group content rose from 19.12 μmol/g to 21.57 μmol/g. Furthermore, the surface activity of the composite microgels was significantly enhanced, as evidenced by increased hydrophobicity, reduced surface tension, and an elevation in contact angle from 53.6° to 72.85°. In the present study, the emulsifying properties of OVA microgel particles were successfully enhanced through the incorporation of RES, providing new insights into natural protein-polyphenol composite microgels as efficient emulsifiers. Meanwhile, this work develops a feasible food-grade emulsion stabilization and delivery platform for the incorporation of RES into emulsion-based food systems. Future research will further focus on the bioactive functions of OVA-RES composite microgels in food systems, as well as their specific applications and industrialization potential in the food sector.
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高影响因子
Crystals
·
2025
·Vol. 15
·期 9
·752
·
IF 2.4
Haifeng Luo,Yuchen Zheng,Shizhao Ren,Wangchuan Xiao,Rongrong Xue,Wei Han,Fenghua Chen
Andrographolide (ADG) is a typical poorly water-soluble drug, and a co-amorphous strategy was used here to improve its aqueous solubility. Co-amorphous systems of ADG and amino acids with a 1:1 molar ratio were screened via the neat ball milling method. L-lysine (Lys) and L-tryptophan (Trp) can be used as co-formers with ADG, forming a co-amorphous phase, which was confirmed by powder X-ray diffraction, IR and Raman spectroscopy. ADG-Trp showed poor solubility at 37 °C, which was close to that of raw ADG (0.08 mg·mL−1). ADG-Lys showed unexpectedly enhanced solubility, at 0.5 mg·mL−1in the media of water and PBS (pH 7.4) and 0.3 mg·mL−1in the medium of HCl buffer (pH 1.2) at 37 °C. ADG-Lys showed good storage stability for 5 months, but its thermal stability was poor and it could recrystallize at 100 °C. Compared with ADG-Trp, ADG-Lys has weaker hydrogen bonding interactions and stronger hydrophobic interactions related to ADG molecules, which might cause the unusual enhancement in solubility. To our knowledge, ADG-Lys prepared in this work shows the maximum ADG content (70 wt.%) and the highest ADG solubility among the reported ADG amorphous solid dispersions and co-amorphous systems.
研究领域:
药剂学
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材料科学
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药物递送
·
物理化学
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DOI
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
·
IF 8.2
Zhenjiang Zhou,Sheng Li,Yiyuan Zou,Lin Lei,Yun Zhou,Damao Wang,Fayin Ye,Guohua Zhao
In the present work, lignin nanospheres (LNS, average diameter 166.43 nm) were prepared and the affecting parameters, the absorbed types, and mechanisms of their interactions with type-A gelatin (AG) were explored. The findings demonstrated that upon AG coating, the ζ -potential of LNS sharply decreased and concluded a negative-to-positive shift, while the average diameter and polydispersity index increased significantly. AG presented the highest coating capacity (0.32 mg/mg, db) onto LNS (0.5 mg/mL) at an optimum pH of 4.0 and an AG concentration of 1.0 mg/mL. The adsorption of AG onto LNS could be well described by the Hill model ( R 2 = 0.9895), which was characterized as positive synergistic adsorption by the Hill coefficient (1.32) and physical adsorption by the free energy (3.70 kJ/mg). The spectral analysis revealed that the interactions between AG and LNS were mainly driven by electrostatic forces (Δ G < 0, Δ H < 0, and Δ S > 0) together with the assistance of hydrogen bonds and hydrophobic interactions, which companied a decrease of α -helix (4.04 %) and β -turn (0.60 %) and an increase of β -sheet (3.10 %) and random coil (1.53 %) of the secondary structure of AG. The results herein certainly favored the hydrophilic/hydrophobic change of LNS/AG and the quality control of a binary system consisting of lignin and gelatin.
研究领域:
材料科学
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生物物理
·
胶体化学
·
表面化学
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DOI
PubMed
高影响因子
JOURNAL OF FOOD SCIENCE
·
2023
·Vol. 88
·期 4
·1325-1335
·
IF 3.9
Xiaoyan Fu,Shaofeng Yuan,Fangwei Yang,Hang Yu,Yunfei Xie,Yahui Guo,Weirong Yao
The binding of pesticide residues and fruit components may have a profound impact on pesticide dissipation and the functional characteristics of the corresponding components. Therefore, the interaction between boscalid and tannic acid (TA, a representative phenolic in fruit) was systematically investigated using spectroscopic, thermodynamic, and computational chemistry methods. A separable system was designed to obtain the boscalid–TA complex. Fourier transform infrared and 1 H-NMR spectroscopies indicated the formation of hydrogen bonds in the complex. Isothermal titration calorimetry showed that the complex bound spontaneously through hydrophobic interactions (Δ G < 0, Δ H > 0, Δ S > 0), with a binding constant of 6.0 × 10 5 M −1 at 298 K. The molecular docking results further confirmed the formation of hydrogen bonds and hydrophobic interactions in the complex at the molecular level, with a binding energy of −8.43 kcal mol −1 . In addition, the binding of boscalid to TA significantly decreased the antioxidant activity of TA. The binding of boscalid residue to TA was characterized at the molecular level, which significantly reduced the in vitro antioxidant properties of TA. Practical Application This study provides a reference for the molecular mechanisms of the interaction between pesticide residues and food matrices, as well as a basis for regulating bound-state pesticide residues in food.
研究领域:
食品科学
·
化学
·
光谱学
·
热力学
·
计算化学
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产品关联
DOI
PubMed
高影响因子
CHEMICAL PHYSICS LETTERS
·
2019
·
IF 1.901
Xin Luo,Jian Gao,Mengna Cao,Chuyue Xiang,Yutong Zhang,Tingting Sun,Hujun Xie,Qunfang Lei,Wenjun Fang
The interactions between single-chain and Gemini surfactants with hemoglobin (Hb) were extensively investigated by UV–visible spectroscopy, fluorescence spectroscopy, circular dichroism spectroscopy (CD), isothermal titration calorimetry (ITC) and Zeta potential measurements. The results demonstrated that surfactants can destroy the hydrophobic cavity of Hb, and make the α -helical become loose and convert it into the β -sheet structure. The interactions between surfactants and Hb are mainly caused by electrostatic and hydrophobic interactions. The hydrophobic chain length and linking group length of surfactants have significant influence on tuning the conformations of Hb. The study provides a molecular basis for the applications of protein-surfactant complexes in biological, pharmaceutical, industrial and cosmetic systems.
研究领域:
生物化学
·
分子生物学
·
药学
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DOI
高影响因子
危险品化学品经营许可证（带存储）