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MOLECULAR PHARMACEUTICS · 2024 · IF 4.5

G45 and V386 in Transmembrane Domains 1 and 8 Are Critical for the Activation of OATP1B3-Mediated E17βG Uptake by Clotrimazole

Wanjun Han,Zheyue Bo,Ting Liang,Han Liu,Lanjing Li,Zhening Guo,Ru Huan,Bruno Hagenbuch,Chunshan Gui

Organic anion-transporting polypeptides (OATPs) 1B1 and 1B3 are two highly homologous transport proteins. However, OATP1B1- and 1B3-mediated estradiol-17β-glucuronide (E17βG) uptake can be differentially affected by clotrimazole. In this study, by functional characterization on chimeric transporters and single mutants, we find that G45 in transmembrane domain 1 (TM1) and V386 in TM8 are critical for the activation of OATP1B3-mediated E17βG uptake by clotrimazole. However, the effect of clotrimazole on the function of OATP1B3 is substrate-dependent as clotrimazole does not stimulate OATP1B3-mediated uptake of 4′,5′-dibromofluorescein (DBF) and rosuvastatin. In addition, clotrimazole is not transported by OATP1B3, but it can efficiently permeate the plasma membrane due to its lipophilic properties. Homology modeling and molecular docking indicate that E17βG binds in a substrate binding pocket of OATP1B3 through hydrogen bonding and hydrophobic interactions, among which its sterol scaffold forms hydrophobic contacts with V386. In addition, a flexible glycine residue at position 45 is essential for the activation of OATP1B3. Finally, clotrimazole is predicted to bind at an allosteric site, which mainly consists of hydrophobic residues located at the cytoplasmic halves of TMs 4, 5, 10, and 11.

CAS / MDL: 64-18-6 15087-02-2
研究领域: 药理学 · 分子生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MACROMOLECULES · 2025 · IF 5.2

Revealing the Role of Polydispersity in Multilevel Assembly Structures and Its Correlation with the Mechanical and Electrical Properties of IDTBT Thin Films

Junhang Li,Chujun Zhang,Qiang Zhang,Sichun Wang,Rui Zhang,Zicheng Ding,Yanchun Han

Molecular weight optimization is crucial for high-performance stretchable conjugated polymer films. However, an in-depth understanding of molecular weight distribution on solution assembly, film microstructures, and electrical/mechanical properties of conjugated polymers is lacking. Herein, a model conjugated polymer, poly(indacenodithiophene-co-benzothiadiazole) (IDTBT), with a similar weight-average molecular weight but different polydispersity indexes (PDIs) of 3.2, 2.4, and 1.6 is investigated. The low-PDI polymer, containing a high content of homogeneous long chains, facilitates sufficient interchain aggregation caused by the enhanced chain entanglement and prolonged aggregation dynamics, which creates a low-crystallinity film containing long-chain well-connected aggregates and chain entanglement networks. Consequently, the charge mobility increases from 2.1 to 3.1 cm2 V–1 s–1 as PDI decreases from 3.2 to 1.6. During stretching, the polymer chains align more effectively along the strain direction in the low-PDI film, which creates more dynamic sliding sites and short-range aggregates to dissipate the strain energy. Thus, the low-PDI polymer film exhibits a high charge mobility of 1.0 ± 0.1 cm2 V–1 s–1 at 100% strain and 0.9 ± 0.1 cm2 V–1 s–1 after 100 cycles of stretching–releasing at 25% strain, which significantly outperforms the high-PDI film. This work demonstrates the significance of polydispersity optimization for developing mechanically robust polymer semiconductor films in stretchable electronics.

CAS / MDL: 79-01-6
研究领域: 材料科学 · 高分子化学 · 电子工程
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FOOD CHEMISTRY · 2025 · IF 9.8

Effect of phase transition of soy protein-chitosan complexes on liposomes stability: The perspective of membrane structure and inlaid stabilization mechanism

Xiaoyi Cheng,Ruiqi Peng,Mingxi Zou,Yan Chen,Wenkang Li,Zhongjiang Wang,Jing Xu,Zengwang Guo

The aim of this study was to construct soybean protein (SPI)-chitosan (CS)-liposomes (Lip) systems with different electrostatic strengths and to investigate the effects of the phase behavior and structural properties of SPI-CS on the structural homeostasis of Lip. It was demonstrated that the SPI-CS-Lips exhibited different aggregation behaviors due to the strength of the electrostatic interaction, which had an essential effect on the adsorption and stabilization of the Lips. The SPI-CS-Lips system was transparent at pH = 5 with a potential of 22.32 mV and an average particle size of 316.53 nm. At this time, the formation of more uniform polymers was also observed in the microscope. The stabilization of the SPI-CS-Lip system depended on the adsorption and fixed-point embedding of SPI-CS and Lip. From the membrane structural perspective, the lateral stacking efficiency of the phospholipid molecules was increased in the SPI-CS-Lip system at pH = 5, with the most excellent stiffening behavior exhibited by the Lip. This study was conducted to provide theoretical support for the construction and mechanism exploration of the novel Nano-Lip system.

研究领域: 食品科学 · 生物化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ADVANCED FUNCTIONAL MATERIALS · 2024 · IF 18.5

Continuous Manufacturing of Bioinspired Bone-Periosteum Integrated Scaffold to Promote Bone Regeneration

Zhengwei Li,Shun Li,Chongjian Gao,Juan Liu,Huawei Qu,Jirong Yang,William Weijia Lu,Changshun Ruan,Xufeng Niu

The scaffold that bioinspired natural bone-periosteum is ideal for the repair of bone defects, while the achievement of a gradient scaffold with an integrated and stable interface remains challenging. Herein, a bioinspired bone-periosteum integrated collagen-based scaffold is developed, in which the top layer is electrospun collagen-dense scaffold as bioinspired periosteum (BP) to prevent invasion of reticular fiber tissue and the bottom layer is in situ mineralized collagen scaffold (IMCS) to promote osteogenic differentiation. Owing to the proposed continuous manufacturing of successive 3D printing and electrospinning, the integrated scaffold (BP-IMCS) comprised of BP and IMCS demonstrates excellent structural stability, ten times higher than that of direct-combination scaffolds. Besides, in vivo implantation results confirmed that BP-IMCS significantly improves new bone formation up to 32.47%, better than an individual layer, due to its co-work of mineral ions and bioinspired structure. Therefore, this study offers a continuous manufacturing strategy to realize the integrated and interface-stable bone-periosteum structure, providing new solutions for heterostructure tissue fabrication.

研究领域: 生物材料学 · 组织工程学 · 再生医学
✓ 已验证 DOI 高影响因子
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2023 · IF 5.2

High adsorption ZIF-67/PP hybrid membrane for rapid extraction of U(VI) from water

Ziqi Deng,Jian Gao,Yue Wang,Pengyang Deng,Yifan Zhang,Lianhua Zhao,YuShu Huang

In this paper, ZIF-67/PP hybrid membrane (ZIF-67-N) is prepared by in situ synthesizing ZIF-67 on polymer membranes for rapid extraction of U (VI) from water. The effects of pH, contact time, and concentration of U (VI) on the adsorption of ZIF-67-N are investigated. The adsorption isotherm and kinetics analysis show an extremely high adsorption capacity of 1334.8 mg/g of ZIF-67-N which is 5.36 times higher than that of ZIF-67, and a rapid adsorption equlibrium of 20 min that is 12 times faster than ZIF-67. The adsorption process is consistent with the Freundlich isotherm equation and pseudo-second-order rate equation . ZIF-67-N also exhibits good selectivity for U (VI) in simulated seawater . The high adsorption performance of ZIF-67-N is attributed to the membrane structure that improves the utilization of coordination sites including Co-OH, C-N, and C N. To our knowledge, ZIF-67-N achieves the highest adsorption capacity among reported MOFs materials. This work provides a kind of efficient adsorption materials for rapid U (VI) extraction, which will be conducive to promoting the development of U (VI) extraction technology.

CAS / MDL: 64-17-5 67-64-1
研究领域: 材料科学 · 环境科学
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JOURNAL OF MOLECULAR LIQUIDS · 2023 · IF 6

Swelling dynamics and chain structure of ultrathin PEG membranes in seawater

Miaomiao Ma,Yuhong Qi,Zhanping Zhang

Polyethylene glycol (PEG) is widely utilized in marine antifouling materials; thus, the fundamental understanding of PEG characteristics in seawater is indispensable. Herein, a “membrane-seawater” separation chamber model is designed, and the molecular dynamics (MD) method is used to simulate the swelling process of PEG membranes in seawater; two characteristic lengths are developed from the concept of Gibbs surface to illustrate the relationship between seawater ions and PEG membranes; the amount of bound water in the hydration shell of PEG is calculated by experimental method. It is concluded that the water content of the PEG membrane in seawater is not much different from that of swelling in water; only the swelling rate changes; the seawater ions accelerate the swelling of the PEG membrane, but most gathered in the outer layer of PEG membrane; Ions change the distribution structure of the hydration layer, and the bound water of PEG decreases under the action of seawater ions. Moreover, the structure of the PEG chain in seawater has a change of “helix-ring”. The study of PEG in seawater will provide an effective supplement and theoretical basis for the modification design of PEG coating.

CAS / MDL: 25322-68-3
研究领域: 材料科学 · 分子动力学 · 海洋科学
✓ 已验证 产品关联 DOI 高影响因子
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FREE RADICAL BIOLOGY AND MEDICINE · 2025 · IF 8.2

Role of ferroptosis mediated by abnormal membrane structure in DEHP-induced reproductive injury

Wei Deng,Jie Zhao,Xia Wang,Dinggang Li,Mingxin Wang,Xiangqin Zheng,Runchang Wang,Qitong Guo,Peng Zhao,Hao Yan,Lianju Shen,Chunlan Long,Guanghui Wei,Shengde Wu

Di-(2-ethylhexyl) phthalate (DEHP), a commonly used plasticizer, has been demonstrated to possess reproductive toxicity; however, the precise mechanisms underlying this effect have yet to be fully elucidated. This study aimed to investigate the potential mechanisms by which prepubertal DEHP exposure impairs testicular development and to provide possible therapeutic targets. We exposed BALB/c male mice from postnatal days 22–35 to different doses of DEHP (0, 250, and 500 mg/kg/day) and utilized lipid metabolomics and other methods to elucidate the reproductive damage caused by DEHP from a multidimensional tissue-cell-molecule perspective. Our findings indicate that DEHP exposure induces ferroptosis in testicular tissue by remodeling membrane lipid structure, in which the imbalance of phospholipid-polyunsaturated fatty acids (PL-PUFA) and phospholipid-monounsaturated fatty acids (PL-MUFA) playing a crucial role. DEHP exposure altered the expression of ACSL4 and MBOAT2 via HIPPO and androgen receptor pathways, thereby impacting PL-PUFA/PL-MUFA synthesis. In conclusion, this study highlights a link between DEHP-induced reproductive damage and lipid metabolism reprogramming, suggesting new targets for preventing DEHP-induced reproductive toxicity.

CAS / MDL: 8001-30-7
研究领域: 毒理学 · 生殖生物学 · 分子生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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DYES AND PIGMENTS · 2024 · IF 4.1

Molecular Engineering of membrane structure targeted photosensitizers for antitumor photodynamic therapy

Xiaojuan Wang,Xin Liu,Wei Lu,Yuheng Ma,Xue Wang,Lufei Xiao,Zhangjun Hu,Zhengjie Liu,Yingzhong Zhu,Lin Kong

Photodynamic therapy (PDT) has been used to cure special diseases or the diseases that localized at special sites in comparison with conventional therapy, due to its high spatiotemporal selectivity, non-invasion, low drug resistance. However, vast majority of photosensitizers (PSs) still suffer from several limitations including poor aqueous solubility and poor photostability. Here, we used two strategies, promoting the intramolecular charge transfer and terminal modification, to overcome these limitations and enhance therapeutic effects. Three membrane-structure targeted molecules, 3CN-Np, 3CN–OH, and 3CN-QA, were designed and synthesized, which exhibited high extinction coefficient, excellent photostability and reactive oxygen species (ROS) productive capacity. In cell imaging, the designing molecules would stain endoplasmic reticulum for 3CN-Np and 3CN–OH, and cell membrane for 3CN-QA, respectively. Afterwards, we used white light (25 mW/cm 2 ) to irradiate the probe cultured cells for 20 min, the ratio of the dead and live cells was 3.0 for 3CN-Np, 3.5 for 3CN–OH, and 3.7 for 3CN-QA. Based on the high cell apoptosis in vitro under a white-light, 3CN–OH was selected to inhibited tumor growth in vivo, and the tumor volume was reduced to 45 % with non-toxicity to vitals. The study provided new sights in developing PSs with high water-solubility, photostability, and ROS generating ability in white-light mediating PDT system.

研究领域: 分子工程学 · 肿瘤学 · 药理学
✓ 已验证 DOI 高影响因子
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CELLULOSE · 2022 ·Vol. 29 ·期 9 ·5235-5249 · IF 6.123

Effect of a trace amount of deep eutectic solvents on the structure and optical properties of cellulose nanocrystal films

Wei Xiaoyao,Lin Tao,Du Hengli,Wang Le,Yin Xuefeng

Cellulose nanocrystal (CNC) suspensions can form chiral spiral structures because of their unique self-assembly characteristics, and their structures can be maintained in dried films. This makes CNC films possess iridescent and liquid crystal properties at the same time. However, neat CNC films are so fragile that they are not suitable for wide use. We first explored the influence of a new type of green plasticizer-deep eutectic solvent (formed by urea and choline chloride) on CNC composite films under different molar ratios and proportions. Deep eutectic solvents (DES) have attracted extensive attention in recent years due to their low cost, easy fabrication and no need for purification. Urea/choline chloride, as the original DES, can improve the apparent uniformity and smoothness of the film only by adding 1‱ of DES, maintaining the optical properties and structural stability of the CNC composite film while effectively reducing the brittleness of the film (the molar ratio of the CNC/DES film with the best performance is 2:1). When the amount of DES in the CNC aqueous suspension reaches 10‱, it will destroy the structure of the CNC, resulting in loss of the optical properties of the CNC/DES films. Different from the common small molecule plasticizers previously reported, the addition of DES not only increases the number of hydrogen bonds but also introduces charge force, which forms a network structure that synergistically improves the flexibility of CNC films. Graphical abstract

研究领域: 材料科学 · 化学工程
✓ 已验证 DOI 高影响因子
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CHINESE JOURNAL OF POLYMER SCIENCE · 2020 ·Vol. 39 ·期 5 ·566-572 · IF 3.154

Foam/Film Alternating Multilayer Structure with High Toughness and Low Thermal Conductivity Prepared via Microlayer Coextrusion

Luo Qi,Pu Hong-Ting,Zhang Zhi-Hua,Zhang Xiong,Yu Cheng-Long

Multilayer membranes prepared via microlayer coextrusion have attracted wide attention due to their unique properties and broad applications. In present study, the foam/film alternating multilayer sheets based on ethylene-vinyl acetate copolymer (EVA) and high-density polyethylene are successfully prepared via microlayer coextrusion. The cells in the sheets are single-cell-array along the foamed EVA layers with uniform cell size. In addition, the effects of layer number and foam relative thickness on morphology, mechanical properties, damping and heat insulation properties are investigated. The cell size decreases significantly with increasing layer number due to the enhanced confine effects. The tensile strength, elongation at break, and heat insulation also increase significantly. However, the mechanical damping properties change little in the observed frequency. Meanwhile, with higher relative thickness of EVA foam, the sheets have lower tensile strength and lower thermal conductivity, while the damping properties are enhanced in a specific frequency scope. The elongation at break of the optimized sample comes to 800% and the thermal conductivity decreases to 61 mW·m −1 ·K −1 , which shows high toughness and low thermal conductivity, indicating a possible method for preparing materials with high toughness and heat-insulating properties.

CAS / MDL: 471-34-1
研究领域: 材料科学 · 高分子科学
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ACS Sustainable Chemistry & Engineering · 2020 · IF 7.632

Structurally Ordered AgNPs@C3N4/GO Membranes toward Solar-Driven Freshwater Generation

Leipu Zhao,Cui Du,Chen Zhou,Shasha Sun,Yuanzheng Jia,Jiasheng Yuan,Guangming Song,Xin Zhou,Qian Zhao,Shengyang Yang

Currently, the development of membranes with efficient absorption of solar light has enabled the evaporation and purification of water using solar energy. However, the resolution of the dilemma between the water evaporation rate and the ultradeep removal of contaminants remains a challenge. Here, we report a structurally ordered AgNPs@C3N4/GO (SCG) membrane with both vertical channels and layer nanostructures, which enhance the water evaporation rate and facilitate the removal efficiency of contaminants simultaneously. The water evaporation rate increases by ∼3.5 times in the presence of the SCG membrane, leading to an optothermal conversion efficiency of 77% under a low solar intensity (1 sun) and high humidity (∼65%). More importantly, the as-prepared SCG membrane is capable of clearing diverse contaminants and salts, including dyes, pathogens (e.g., bacteria, viruses, parasites), and metal ions (e.g., Cd2+, Pb2+, Cr2+, Na+, K+, Mg2+, Ca2+), with an extremely high removing efficiency. We envisage that the ordered structure in both vertical and horizontal directions can achieve a large mass flux and highly efficient decontamination. Therefore, it can be expected that the scale-up fabrication of solar absorbers with tailorable nanostructures for thorough wastewater purification and seawater desalination can help people who live in regions with a scarcity of clean water.

研究领域: 环境科学 · 材料科学
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JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY · 2015 ·Vol. 91 ·期 3 ·777-785 · IF 2.349

The influence of polyamic acid molecular weight on the membrane structure and performance of polyimide solvent-resistant nanofiltration

Jianqiang Wang,Keying Song,Bing Cao,Li Li,Kai Pan

BACKGROUND Polyimide (PI) solvent-resistant nanofiltration (SRNF) membranes were prepared by a two-step method. The polyamic acid (PAA) precursor was synthesized first, and then PAA membranes were obtained via a non-solvent induced phase separation method. Finally, the PAA membranes were transformed into PI membranes by the thermal imidization method. The effect of molecular weight of precursor on the structure and performance of PI membranes was investigated in detail. In addition, the influence of other processing parameters, such as evaporation time and immersion time in the coagulation bath, on the performance of PI membranes prepared from PAA with different molecular weights was also investigated. RESULTS The results showed that the structure of PI membrane varied with PAA molecular weight. The PI membranes prepared from low molecular weight PAA failed to form a defect-free membrane with enough strength, and resulted in high flux but low rejection. Accordingly, PI membranes processed from PAA with high molecular weight retain rejection higher than 90% of FCF with decreased flux. The results also indicated that the optimized molecular weight of PAA should be between 1.23 × 10 5 g mol −1 and 2.44 × 10 5 g mol −1 to prepare defect-free PI membrane for nanofiltration. The results also showed that the performance of the PI membranes can be controlled by adjusting the evaporation time, immersion time, and also the operating pressure. CONCLUSIONS The PAA molecular weight has a great effect on the morphology and performance of PI membranes. A suitable PAA molecular weight is necessary for preparing defect-free PI nanofiltration membrane. © 2015 Society of Chemical Industry

研究领域: 材料科学 · 化学工程
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