CRYSTAL GROWTH & DESIGN
·
2024
·
IF 3.2
Yujiao Li,Yunan Zhang,Qi An,Jingwen Shi,Lixin Liu
Based on the study of the effect of positional isomerism of coformer functional groups on the cocrystallization and physicochemical properties of the active pharmaceutical ingredients, the impact of cis–trans isomeric butenedioic acid as coformers on the conformation, crystal structure, and its physicochemical properties of marbofloxacin was further explored. In this work, fumaric acid (FA) and maleic acid (MA) with different configurations were chosen as coformers to synthesize the pharmaceutical salt cocrystal (MBF-FA-H2FA) and salt (MBF-MA) of marbofloxacin (MBF), and their structures were fully characterized. Significant differences between the conformations of marbofloxacin in the salt cocrystal and in salt were found. In the salt cocrystal, the N atom of the piperazine group from marbofloxacin is coplanar with the pyridone ring, and the whole is straight like fumaric acid, whereas the marbofloxacin piperazine group in the salt is bent like the maleic acid configuration. Furthermore, the conformational variability of marbofloxacin in the salt cocrystal and the salt resulted in different crystal structures and opposite physicochemical properties. Notably, both multicomponent crystals have a surface hydrophilic intercalation structure. However, the salt cocrystal and salt exhibited different solubility and permeability. Specifically, the MBF-MA salt showed improved solubility and permeability, while the MBF-FA-H2FA salt cocrystal showed a decreased solubility and permeation rate compared to MBF. In addition, in vitro bacterial inhibitory activity assays indicated that the MBF-MA salt has stronger inhibitory activity against Gram-negative and Gram-positive bacterial strains than the MBF-FA-H2FA salt cocrystal and pure MBF.
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Water
·
2026
·Vol. 18
·期 14
·1694
·
IF 3.5
Deling Fan,Yucen Liu,Wen Gu,Shuai Sun,Weilong Xing,Zhen Wang,Lili Shi,Lei Wang,Zheng Fang
Pharmaceuticals and personal care products (PPCPs) are contaminants of emerging global concern, yet their long-term fate and distribution in strategic trans-boundary water source areas remain underexplored. This study conducted a comprehensive monitoring campaign spanning from 2018 to 2020, with six sampling campaigns carried out in August 2018, December 2018, May 2019, August 2019, December 2019, and May 2020, to investigate the occurrence, spatiotemporal dynamics, source apportionment, and ecological risks of 54 PPCPs in the surface water and sediments of the Taipu River in eastern China. Utilizing non-target screening via liquid chromatography high-resolution mass spectrometry (LC-HRMS), 54 PPCPs across 15 categories were detected, with average total concentrations of 28.60 ng/L in surface water and 13.01 ng/g in sediments. Sulfonamides, quinolones, and non-steroidal anti-inflammatory drugs (NSAIDs) dominated the aqueous phase (with bisphenol A and sulfamethoxazole highly prevalent), while hormones (e.g., estriol) and quinolones (e.g., ciprofloxacin (CIP)) exhibited significant accumulation in the benthic zone. Spatiotemporal analysis revealed a seasonal pattern where PPCP concentrations were higher in the dry season than in the wet season, primarily driven by hydrological dilution and climate-induced degradation. Furthermore, Positive Matrix Factorization (EPA PMF 5.0) extracted five distinct source factors for each matrix. Specifically, surface water pollution was primarily driven by domestic wastewater, municipal effluents, medical discharges, and localized pharmaceutical emissions, whereas sediments acted as a long-term sink predominantly for domestic wastewater, agricultural/veterinary runoff, and municipal/industrial emissions. Ecological risk assessment indicated that while most of the nine high-frequency contaminants posed low risks, specific compounds such as CIP, SM2, and E3 presented medium risks in surface water, whereas ENR, CIP, and SPI posed medium risks in sediments. These findings emphasize that the continuous multi-source input and the resulting pseudo-persistence of PPCPs in sediments warrant prioritized continuous attention and targeted pollution control strategies in the Taipu River Basin.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2021
·
IF 6.953
Qi Chen,Xiaorong Li,Yuan Xie,Weicheng Hu,Zhipeng Cheng,Hui Zhong,Hongjun Zhu
In this study, a nanocapsule (AL-azo/CH) was prepared with the anionic alginate-azo (AL-azo) and cationic chitosan (CH) via layer-by-layer method. Doxorubicin hydrochloride (DOX), an anticancer drug, was entrapped inside the AL-azo nanocapsules to form the DOX-loaded nanocapsules (DOX/AL-azo/CH). When the DOX/AL-azo/CH nanocapsules were irradiated with 365-nm light, the electrostatic attraction between the layers would be weakened as the trans-to-cis isomerization of AL-azo, which would lead to the UV-responsive decomposition and drug-release. Furthermore, cellular experiments showed that DOX/AL-azo/CH nanocapsules could be endocytosed by the HepG2 cells, and the confocal laser scanning microscope images showed that the DOX fluorescence intensity became stronger with the prolonging of irradiation time, indicating that the intracellular DOX-release could be controlled by UV irradiation. The AL-azo/CH nanocarriers were UV-triggered decomposition and drug-release, which stepped further towards the next-generation of nano-therapeutics with spatial and temporal external control in the field of polysaccharide .
研究领域:
药剂学
·
肿瘤学
·
生物材料
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SENSORS AND ACTUATORS B-CHEMICAL
·
2022
·
IF 9.221
Li Shuofeng,Wang Fangfang,Chun Wang,Zhi Wang,Qiuhua Wu
As vital biomarkers for diagnosis of diseases, the anomalously expressed microRNAs (miRNAs) are closely linked to the occurrence and development of many diseases. Quantitative analysis of miRNAs has remarkable significance to clinical diagnosis and therapy of different cancers. In this study, the clustered regularly interspaced short palindromic repeats (CRISPR) and CRISPR-associated (Cas) 13a (CRISPR/Cas13a) system was first exploited to directly and specifically recognize the miRNA at the guidance of CRISPR RNA (crRNA), which can activate the nonspecific trans-ribonuclease activity of Cas13a. Then, combining the CRISPR-Cas13a system with terminal deoxynucleotidyl transferase (TdT)-triggered template-free DNA extension to form the fluorescent copper nanoparticles (CuNCs), a simple but sensitive method (named as Cas13a-TFCN) was developed for highly specific detection of miRNA. Based on the CRISPR/Cas13a system coupled with TdT-triggered simple but efficient signal amplification strategy, the developed Cas13a-TFCN method showed high sensitivity for miRNA detection with the low detection limit of 0.7 fM. Furthermore, the proposed Cas13a-TFCN approach was successfully applied for accurate quantification of miRNA in complex biological samples, indicating its practical application ability. Moreover, featuring high sensitivity and simplicity without complicated probe design and fluorophore labeling, the proposed Cas13a-TFCN has a promising applications prospect in clinical diagnosis.
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COLLOIDS AND SURFACES B-BIOINTERFACES
·
2015
·
IF 4.152
Zhenbao Li,Xiaopeng Han,Yinglei Zhai,He Lian,Dong Zhang,Wenjuan Zhang,Yongjun Wang,Zhonggui He,Zheng Liu,Jin Sun
Pegylation method is widely used to prolong the blood circulation time of proteins and nanoparticles after intravenous administration, but the effect of surface poly (ethylene glycol) (PEG) chain length on oral absorption of the pegylated nanoparticles is poorly reported. The aim of our study was to investigate the influence of PEG corona chain length on membrane permeability and oral bioavailability of the amphiphilic pegylated prodrug-based nanomicelles, taking all trans -retinoic acid (ATRA) as a model drug. The amphiphilic ATRA-PEG conjugates were synthesized by esterification reaction between all trans -retinoic acid and mPEGs (mPEG500, mPEG1000, mPEG2000, and mPEG5000). The conjugates could self-assemble in aqueous medium to form nanomicelles by emulsion-solvent evaporation method. The resultant nanomicelles were in spherical shape with an average diameter of 13–20 nm. The drug loading efficiency of ATRA-PEG500, ATRA-PEG1000, ATRA-PEG2000, and ATRA-PEG5000 was about 38.4, 26.6, 13.1, and 5.68 wt%, respectively. With PEG chain length ranging from 500 to 5000, ATRA-PEG nanomicelles exhibited a bell shape of chemical stability in different pH buffers, intestinal homogenate and plasma. More importantly, they were all rapidly hydrolyzed into the parent drug in hepatic homogenate, with the half-time values being 0.3–0.4 h. In comparison to ATRA solution and ATRA prodrug-based nanomicelles, ATRA-PEG1000 showed the highest intestinal permeability. After oral administration, ATRA-PEG2000 and ATRA-PEG5000 nanomicelles were not nearly absorbed, while the oral bioavailability of ATRA-PEG500 and ATRA-PEG1000 demonstrated about 1.2- and 2.0-fold higher than ATRA solution. Our results indicated that PEG1000 chain length of ATRA-PEG prodrug nanomicelles has the optimal oral bioavailability probably due to improved stability and balanced mucus penetration capability and cell binding, and that the PEG chain length on a surface of nanoparticles cannot exceed a key threshold with the purpose of enhancement in oral bioavailability.
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Food Packaging and Shelf Life
·
2025
·
IF 10.6
Xiaohong Guo,Menglu Wu,Shiguang Zou,Xuequn Shi,Saowapa Chaiwong,Di Wu,Xian Li,Kunsong Chen
Mangoes are nutritious but perishable fruits. The in situ packaging of fruit surfaces with nanofibers is a promising study for fruit preservation. Polycaprolactone/ethyl cellulose (PCL/EC) nanofibrous films loaded with natamycin (Nata) and trans-cinnamic acid (tCA) (PCL/EC/Nt-p) were prepared in situ on the surface of mangoes using handheld microfluidic-blow-spinning (MBS) to enhance mango storage quality. The results show that the PCL/EC/Nt-p nanofibers had an average diameter of 321.82 ± 10.06 nm and displayed a smooth and uniform morphology. The lower Young’s modulus facilitated easy peeling of the nanofibrous films from the mangoes surface with less force before consumption. In addition, the PCL/EC/Nt-p nanofibrous film had an ideal hydrophobicity and water vapor transmission rate, which protected their structural integrity in high-humidity environments and also reduced water loss from the treated mangoes. Storage results show that the mangoes treated with PCL/EC/Nt-p nanofibrous films exhibited the smallest lesion diameter and a decay index 20 % lower than untreated mango. Moreover, after 9 days of storage, the decrease in SOD, CAT, POD, and APX antioxidant enzyme activities was delayed in the PCL/EC/Nt-p nanofibrous film treated mangoes, confirming the film’s ability to enhance antioxidant capacity and slow down metabolic processes. This study provides valuable insights to facilitate the research on in situ fruit preservation packaging, the widespread adoption of microfluidic-blow-spinning and the handheld spinning machine.
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FOOD HYDROCOLLOIDS
·
2024
·
IF 11
Liyuan Ma,Weiyi Long,Yixiang Liu
Protein-based delivery systems tend to degrade too quickly in the gastrointestinal tract. Applying polysaccharide-based surface coatings on protein carriers is an effective strategy to prevent interference from gastric acid and proteases during the digestive process. This study prepared gastrointestinal pH-responsive bovine serum albumin (BSA)-myristic acid (MA) carriers using sodium alginate (SA)-based surface coating technology to improve the digestive properties and intestinal mucus penetration of limonin (LM). The results showed that ultrasonication caused uniform hydrophilic BSA and MA particle formation in optimal conditions. Fourier-transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) observations confirmed that SA adhered to the BSA-MA particle surfaces via electrostatic interaction at pH 4, causing the controlled gastrointestinal release of the self-assembled BSA-MA complexes. The subsequent SA-BSA-MA complexes displayed an LM encapsulation yield (EY) of >84%. In vitro, simulated gastrointestinal digestion indicated that compared with free LM, the SA-BSA-MA particles significantly increased the intestinal LM retention rate, bioaccessibility, and micellization rate by 45.49%, 155.48%, and 102.14%, respectively. The results of the artificial intestinal mucus experiments demonstrated that the trans-intestinal mucus barrier capacity of SA-BSA-MA particle-loaded LM was significantly enhanced. Its apparent permeability coefficient (Papp) (6.53 × 10 −6 cm/s for free LM) and intestinal mucus permeability (17.56% for free LM) increased substantially to 14.22 × 10 −6 cm/s and 38.22%. This study presents a gastrointestinal pH-responsive delivery system that effectively improves the ability of hydrophobic nutrients to cross the intestinal mucus barrier.
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ELECTROCHIMICA ACTA
·
2020
·
IF 6.215
Weiwei Qiu,Qingxiang Wang,Natsumi Yano,Yusuke Kataoka,Makoto Handa,Feng Gao,Hidekazu Tanaka
A flexible metal-organic framework (MOF) of Cu 2 ( trans- 1,4 - cyclohexanedicarboxylic acid) 2 (Cu 2 (CHDC) 2 ) has been synthesized by a facile hydrothermal method . The physical characterization experiments show that the Cu 2 (CHDC) 2 presents unique flower-like shape, large surface area and high electroactivity. Then gold nanoparticles (AuNPs)/Cu 2 (CHDC) 2 modified electrode was prepared and utilized as an electroactive matrix for thrombin aptamer immobilization. The electrochemical assay shows that the AuNPs can effectively enhance the electrochemical signal of the Cu 2 (CHDC) 2 . Upon the binding of the electrode-confined aptamer with the thrombin, the electrochemical signal of the Cu 2 (CHDC) 2 decreases obviously due to the change of the microenvironment of the sensing interface. Thus a label-free electrochemical sensing strategy for thrombin was realized. The aptasensor displays excellent performance with wide linear range, ultralow detection limit of 0.01 fM (S/N = 3), and favorable specificity. Also, the aptasensor was applied for determination of thrombin in the human serum samples, and the satisfactory results are obtained. The results imply that the proposed sensor can be potentially used for the early diagnosis of disease and clinical monitoring.
研究领域:
生物医学工程
·
分析化学
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JOURNAL OF BIOMATERIALS APPLICATIONS
·
2024
·
IF 2.3
Dandan Niu,Danyang Zhou,Mengke Zhan,Lijing Lei,Jinhua Zhu,Xiuhua Liu
γ-Cyclodextrin-based metal-organic frameworks (γ-CD-MOF) were successfully synthesized using the solvent diffusion method and applied as carriers for trans-N-p-coumaroyltyramine (N-p-t-CT, NCT) to study the solubability, stability, sustained release and inhibitory activity against α-glucosidase. The solubilization effect of γ-CD-MOF on N-p-t-CT was performed using impregnation (NCT@CD-MOF-1) and co-crystallization (NCT@CD-MOF-2) methods. X-ray diffraction, scanning electron microscope (SEM), fourier transform infrared spectrometer (FTIR), and N2 adsorption/desorption were used to characterize the MOFs before and after loading NCT. The results showed that NCT@CD-MOF-2 had a better solubability for N-p-t-CT, 145.03 μg/mg of drug loading capacity could be achieved, and the solubility of NCT@CD-MOF-2 in water was 366 times higher than free N-p-t-CT. In addition, the stabilities of N-p-t-CT under temperature, UV light and pH conditions were greatly improved after encapsulation in γ-CD-MOF. Furthermore, NCT@CD-MOFs had a sustained release of N-p-t-CT over an extended period in vitro due to the primary encapsulation in pore structures. Notably, γ-CD-MOF loaded with N-p-t-CT showed superior inhibitory activity against α-glucosidase compared to free N-p-t-CT. Cytotoxicity studies demonstrated that NCT@CD-MOF-2 had low toxicity in vitro and perfect biocompatibility with HL-7702 cells, and γ-CD-MOF could reduce the toxicity of free N-p-t-CT at higher concentrations.
研究领域:
药剂学
·
生物化学
·
分子生物学
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TOXICOLOGY AND APPLIED PHARMACOLOGY
·
2026
·
IF 3.6
Wanlun Li,Shutao Wang,Ziwei Wang,Huize Fan,Hong You
Fluorinated liquid crystal monomers (FLCMs) are widely used in liquid crystal display (LCD) panels. However, as emerging contaminants, FLCMs have been detected in various environments and proven to be toxic to humans. This study aimed to investigate the molecular mechanisms underlying the hepatotoxicity of a typical FLCM, 1-ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl) benzene (EDPrB), in HepG2 cells. EDPrB exposure (25 mg/L) induced oxidative stress, evidenced by reduced CAT activity (1.87-fold) and increased MDA content (2.12-fold) ( p < 0.05). 25 mg/L EDPrB disrupted the metabolism, significantly elevating the levels of TC (1.65-fold, p < 0.001), TG (1.47-fold, p < 0.01), and GLU (1.44-fold, p < 0.05), respectively. Comprehensive analysis of transcriptomics and metabolomics revealed that EDPrB affected lipid and glucose metabolisms, antioxidant defense-related pathways, and PI3K/AKT/mTOR signaling pathways. Additionally, the altered expression of metabolism-related genes confirmed the promotion of fatty acid synthesis and glycolysis. The altered expression of PI3K, AKT, and mTOR proteins, coupled with their strong binding affinity to EDPrB, collectively revealed the dysregulation of PI3K/AKT/mTOR pathways. Protein-protein interaction (PPI) analysis further verified the interaction between lipid and glucose metabolism disorders, oxidative stress, and PI3K/AKT/mTOR pathways dysfunction, contributing to EDPrB-induced hepatotoxicity. Our findings provide valuable insights into the potential health risks of FLCMs.
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TALANTA
·
2021
·
IF 6.057
Kai Zhang,Zhenqiang Fan,Yue Huang,Yuedi Ding,Minhao Xie
Early diagnosis and timely management of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) are the keys to preventing the spread of the epidemic and controlling new infection clues. Therefore, strengthening the surveillance of the epidemic and timely screening and confirming SARS-CoV-2 infection is the primary task. In this work, we first proposed the idea of activating CRISPR-Cas12a activity using double-stranded DNA amplified by a three-dimensional (3D) DNA walker. We applied it to the design of an electrochemiluminescent (ECL) biosensor to detect the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) gene. We first activated the cleavage activity of CRISPR-Cas12a by amplifying the target DNA into a segment of double-stranded DNA through the amplification effect of a 3D DNA walker. At the same time, we designed an MXene based ECL material: [email protected] 3 C 2 @AuNPs, and constructed an ECL biosensor to detect the RdRp gene based on this ECL material as a framework. Activated CRISPR-Cas12a cleaves the single-stranded DNA on the surface of this sensor and causes the ferrocene modified at one end of the DNA to move away from the electrode surface, increasing the ECL signal. The extent of the change in electrochemiluminescence reflects the concentration of the gene to be measured. Using this system, we detected the SARS-CoV-2 RdRp gene with a detection limit of 12.8 aM. This strategy contributes to the rapid and convenient detection of SARS-CoV-2-associated nucleic acids and promotes the clinical application of ECL biosensors based on CRISPR-Cas12a and novel composite materials.
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JOURNAL OF MEMBRANE SCIENCE
·
2023
·
IF 9.5
Jun Cheng,Zheyu Li,Xian Bao,Ruijun Zhang,Zhiqiang Zhang,Guangtong Hai,Kai Sun,Wenxin Shi
An urgent challenge during the preparation of polyamide thin film composite membrane via the interfacial polymerization method was excessive diffusion rate of piperazine to form uncontrollable polyamide layer thickness, ultimately leaded to low water permeability to increase the operating cost. Herein, a uniquely new method, which brought down one order of magnitude of piperazine concentration to ultra-low grade (0.01% w·v −1 ) to retard the diffusion rate, was utilized to avoid the problem. However, the ultra-low concentration of piperazine could not easily react with trimesoyl chloride, bis-tris propane as conditioning agent was needed to overcame the trouble. The kinetics diffusion process of piperazine under the function of bis-tris propane was intensively studied by molecular dynamics simulation and other characterizations. Bis-tris propane could combine with piperazine to generate intermolecular force and then carry piperazine molecules moving toward the interface of aqueous/organic phase, which tuned the trans -state of piperazine to the benefit of rection. This work offered a novelty insight to surmount the problem of the excessive diffusion rate, which could promote the development of membrane technology .
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