ABSTRACT
Chitosan, as a biomaterial, has increasingly garnered attention. However, its limited solubility in water-only dissolving in certain dilute acidic solutions-substantially restricts its broader application. In this investigation, chitosan underwent a solubilization modification to acquire water solubility, facilitating its dissolution in neutral aqueous mediums. Subsequently, this water-soluble chitosan (WSC) was interlinked with oxidized carboxymethyl cellulose (OCMC), characterized by varied oxidation extents, to synthesize hydrogels. Structural characterization verified the formation of imine bonds resulting from crosslinking interactions between the amino groups of water-soluble chitosan and the aldehyde groups of oxidized carboxymethyl cellulose. Employing performance characterization analysis, it was discerned that an increase in the oxidation level of the oxidized carboxymethyl cellulose corresponded to a denser hydrogel network architecture and the hardness increased from 3.01 N to 6.16 N. Moreover, the capacity of these hydrogels to adsorb methylene blue was meticulously examined. Notably, the hydrogel denoted as WSC/66%OCMC manifested an adsorption capability of 28.08 mg/g for methylene blue. Analytical findings from adsorption kinetics and isotherm studies indicate that the adsorption mechanism of the WSC/66%OCMC hydrogel follows the pseudo-second-order kinetic model and corresponds to the Freundlich isotherm model.
Subject(s)
Carboxymethylcellulose Sodium , Chitosan , Hydrogels , Methylene Blue , Oxidation-Reduction , Solubility , Water , Methylene Blue/chemistry , Hydrogels/chemistry , Hydrogels/chemical synthesis , Chitosan/chemistry , Carboxymethylcellulose Sodium/chemistry , Water/chemistry , Adsorption , KineticsABSTRACT
In answer to the demand for high sensitivity and miniaturization of ultra-high frequency (UHF) sensors for partial discharge (PD) detection in power equipment, this paper proposes research on miniaturized UHF-sensing technology for PD detection in power equipment based on symmetric cut theory. The symmetric cut theory is applied for the first time to the miniaturization of PD UHF sensors for power equipment. A planar monopole UHF sensor with a size of only 70 mm × 70 mm × 1.6 mm is developed using an exponential asymptotic feed line approach, which is a 50% size reduction. The frequency-response characteristics of the sensor are simulated, optimized and tested; the results show that the standing wave ratio of the sensor developed in this paper is less than 2 in the frequency band from 427 MHz to 1.54 GHz, and less than 5 in the frequency band from 300 MHz to 1.95 GHz; in the 300 MHz~1.5 GHz band; the maximum and average gains of the sensor E-plane are 4.76 dB and 1.02 dB, respectively. Finally, the PD simulation experiment platform for power equipment is built to test the sensor's sensing performance; the results show that the sensor can effectively detect the PD signals; the sensing sensitivity is improved by about 95% relative to an elliptical monopole UHF sensor.
ABSTRACT
This paper presents the formation of a self-healing hydrogel prepared by carboxyethyl modification of chitosan and crosslinking with oxidized sodium alginate. Concurrently, the incorporation of Ca2+ facilitated the formation of "calcium bridges" through intricate coordination with carboxyl moieties, bolstering the attributes of the hydrogel. Various characterization methods, including scanning electron microscopy, texture analysis, and rheological measurements, demonstrated that the introduction of carboxyethyl groups resulted in a more compact hydrogel network structure and improved the hardness and elasticity. The addition of Ca2+ helped to further enhance the mechanical performance of the hydrogel and increase its thermal stability. Then, the adsorption capacity was also investigated, showing adsorption capacities of 46.17 mg/g methylene blue and 46.44 mg/g congo red for carboxyethyl chitosan/oxidized sodium alginate hydrogel, a four-fold increase for congo red versus chitosan/oxidized sodium alginate hydrogel. In addition, the adsorption behavior of CEC/OSA/2%Ca2+ hydrogel can be well described by pseudo-second-order kinetic model and Langmuir adsorption isothermal model. Compared to traditional hydrogels, CEC/OSA/2%Ca2+ hydrogel shows superior mechanical strength, enhanced thermal stability, and improved adsorption capacity, which can effectively adsorb not only methylene blue but also congo red. These advancements demonstrate our hydrogel's innovative properties.
Subject(s)
Chitosan , Water Pollutants, Chemical , Chitosan/chemistry , Alginates/chemistry , Hydrogels/chemistry , Congo Red , Methylene Blue/chemistry , Adsorption , Kinetics , Water Pollutants, Chemical/chemistry , Hydrogen-Ion ConcentrationABSTRACT
With the continuous development of advanced packaging technology in heterogeneous semiconductor integration, the delamination failure problem in a dynamic service environment has gradually become a key factor limiting the reliability of packaging devices. In this paper, the delamination failure mechanism of polymer-based packaging devices is clarified by summarizing the relevant literature and the latest research solutions are proposed. The results show that, at the microscopic scale, thermal stress and moisture damage are still the two main mechanisms of two-phase interface failure of encapsulation devices. Additionally, the application of emerging technologies such as RDL structure modification and self-healing polymers can significantly improve the thermal stress state of encapsulation devices and enhance their moisture resistance, which can improve the anti-delamination reliability of polymer-based encapsulation devices. In addition, this paper provides theoretical support for subsequent research and optimization of polymer-based packages by summarizing the microscopic failure mechanism of delamination at the two-phase interface and introducing the latest solutions.
ABSTRACT
This study successfully grafted caffeic acid and 3,4-dihydroxybenzoic acid into chitosan through a coupling reaction, yielding grafting ratio of 8.93 % for caffeic acid grafted chitosan (CA-GC) and 9.15 % for 3,4-dihydroxybenzoic acid grafted chitosan (DHB-GC) at an optimal concentration of 4 mmol phenolic acids. The characterization of modified chitosans through ultraviolet visible spectrometer (UV-vis), Fourier transform infrared spectrometer (FTIR), proton nuclear magnetic resonance (1H NMR), and x-ray photoelectron spectrometer (XPS) confirmed the successful grafting of phenolic acids. In the subsequent step of emulsion preparation, confocal laser scanning microscope images confirmed the formation of O/W (oil-in-water) emulsions. The phenolic acid-grafted chitosans exhibited better emulsification properties compared to native chitosan, such as reduced droplet size, more uniform emulsion droplet distribution, increased ζ-potential, and enhanced emulsifying activity and stability. Moreover, the modified chitosans demonstrated increased antioxidant activities (evidenced by DPPH and ß-carotene assays) and displayed greater antimicrobial effects against E. coli and S. aureus. Its efficacy in curcumin encapsulation was also notable, with improved encapsulation efficiency, sustained release rates, and enhanced storage and photostability. These findings hint at the potential of modified chitosans as an effective emulsifier.
Subject(s)
Chitosan , Curcumin , Hydroxybenzoates , Chitosan/chemistry , Curcumin/pharmacology , Curcumin/chemistry , Emulsions/chemistry , Escherichia coli , Staphylococcus aureus , Caffeic AcidsABSTRACT
In this study, chlorogenic acid-chitosan (CA-CS) copolymers were prepared with varying Chitosan (CS): chlorogenic acid (CA)ratios and characterized for their water solubility, antioxidant capacity, and emulsions stability. Results showed that CA-CS samples exhibited up to 90.5 % increase in DPPH scavenging efficiency and 20 % increase in hydroxyl radical scavenging efficiency compared to CS alone. CA-CS copolymers used to stabilize oil in water (O/W) emulsions, which were evaluated for their potential in encapsulating and protecting ß-carotene. Microscopic observations revealed homogeneous spherical droplets in stable emulsions, suggesting effective interfacial structures. The selected CA-CS-stabilized O/W emulsions demonstrated encapsulation efficiencies of 74.8 % and 75.26 % for ß-carotene. The CA-CS stabilized O/W emulsions provided the most effective protection against ß-carotene degradation under UV exposure, retaining over 80 % of ß-carotene content after 12 h of testing. These findings indicate that CA-CS-based O/W emulsions show promise as carriers and protectors for bioactive compounds, due to their improved antioxidant capacity, emulsions stability, and protection against degradation.
Subject(s)
Chitosan , Chlorogenic Acid , Chlorogenic Acid/chemistry , Emulsions/chemistry , beta Carotene/chemistry , Chitosan/chemistry , Antioxidants/pharmacology , Water/chemistryABSTRACT
In the paper, Nisin was grafted onto native pectin by the 1-ethyl-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC·HCl) method. Structure characterisation showed that the carboxyl group of pectin interacted with the amino group of Nisin and formed an amide bond. The highest grafting ratio of the modified pectin was up to 24.89 %. The emulsifying property of modified pectin, significantly improved, and emulsification performance improved with increasing grafting ratio. Emulsifying activity, emulsion stability, Zeta potential, and droplet morphology data demonstrate a notable enhancement in pectin's emulsifying properties due to Nisin's introduction, with the degree of grafting showing a direct correlation with the improvement observed. Pectin-based emulsion is utilized to load curcumin, enhancing its stability and bioavailability. Research findings highlight that the incorporation of Nisin-modified pectin significantly elevates curcumin encapsulation efficiency, while decelerating its release rate. Moreover, the stability of curcumin loaded in the modified pectin under light exposure, alkaline conditions, and long-term storage is also significantly improved. Ultimately, the bioavailability of curcumin escalates from 0.368 to 0.785.
Subject(s)
Curcumin , Nisin , Emulsions/chemistry , Curcumin/chemistry , Nisin/chemistry , Pectins/chemistry , Polymers/chemistryABSTRACT
Members of the nuclear factor-kappa B (NF-κB) family are crucial regulators of physiological processes such as apoptosis, inflammation, and the immune response, acting as vital transcription factors to perform their function. In this study, we identified a NF-κB homologous gene (CfRel1) in Zhikong scallops. The 3006-bp-long open reading frame encodes 1001 amino acids. The N-terminus of the CfRel1 protein harbors a conserved Rel homology domain (RHD) that contains a DNA-binding domain and a dimerization domain. According to the multiple sequence alignment results, both the DNA-binding and dimerization domains are highly conserved. Phylogenetic analysis indicated that CfRel1 is closely related to both the Dorsal protein of Pinctada fucata and the Rel2 protein of Crassostrea gigas. CfRel1 mRNA was expressed in all tissues tested in the quantitative reverse transcription PCR experiments, with hepatopancreatic tissue expressing the highest levels. Furthermore, after stimulation with lipopolysaccharide, peptidoglycan, or polyinosinic:polycytidylic acid, the mRNA expression level of CfRel1 was markedly increased. The co-immunoprecipitation test results showed that CfRel1 interacted with scallop IκB protein through its RHD DNA-binding domain, suggesting that IκB may regulate the activity of Rel1 by binding to this domain. Dual-luciferase reporter gene assays revealed that CfRel1 overexpression in HEK293T cells activated the activator protein 1 (AP-1), NF-κB, interferon (IFN)α, IFNß, and IFNγ reporter genes, indicating the diverse functions of the protein. In summary, CfRel1 is capable of responding to attacks from pathogen-associated molecular patterns, participating in immune signaling, and activating NF-κB and IFN reporter genes. Our findings contribute to the advancement of invertebrate innate immunity theory, enrich the theory of comparative immunology, and serve as a reference for the future screening of disease-resistant strains in scallops.
Subject(s)
Crassostrea , Pectinidae , Humans , Animals , NF-kappa B/genetics , NF-kappa B/metabolism , Phylogeny , HEK293 Cells , DNA , RNA, Messenger/metabolismABSTRACT
An investigation was conducted to assess the gelation characteristics of amino acid amidated pectin and its subsequent influence on the quality of minced chicken breast (MCB) when employed as a lipid substitute. Through experimentation, it was evidenced that amidated pectin, such as glycine amidated pectin (AP@Gly), glutamic amidated pectin (AP@Glu), and lysine amidated pectin (AP@Lys), demonstrated superior viscosity and gelation capacity in comparison to their native pectin (PE) counterpart. In contrast to PE, amidated pectin samples exhibited the potential to form high-strength hydrogels under conditions of minimal restriction. Additionally, evaluations conducted on all samples established that MCB samples enriched with pectin and amidated pectin demonstrated superior water retention capability. Before thermal processing, MCB samples fortified with amidated pectin showcased higher hardness and L* values in comparison to PE and the control group. However, upon thermal processing, no significant divergence was found in the chroma and texture profile analysis (TPA) attributes across all MCB samples, and the electronic tongue sensory evaluation was closely aligned with the control group. This evidence substantiates the effectiveness of amidated pectin samples as viable lipid substitutes in MCB products.
Subject(s)
Fat Substitutes , Pectins , Animals , Pectins/chemistry , Chickens/metabolism , Meat/analysis , LipidsABSTRACT
The objective of this research was to devise a functional hydrogel was synthesized using pectin (PE), acrylic acid (AA), dimethyldiallyl ammonium chloride (DC), and polyvinyl alcohol (PVA), designed to adsorb both cationic and anionic dyes concurrently. The low methoxy pectin formed double network hydrogel through chemical and physical crosslinking with AA and PVA respectively. DC is combined into the hydrogel system through copolymerization reaction. Analysis of hydrogel's physicochemical properties was conducted using techniques such as infrared spectroscopy, texture analysis, thermogravimetry, and scanning electron microscopy. Dyes adsorption studies showed that the LP/AA/DC/PVA-2 hydrogel, prepared at the molar ratio of AA to DC of 1:2, exhibited higher adsorption efficiency for methylene blue (MB) and Congo red (CR). Kinetics and isotherms studies indicated that the adsorption behavior conformed to the pseudo-second-order kinetic model and Langmuir isotherm model. By the Langmuir isotherm fitting, the maximum adsorption capacities of MB and CR by LP/AA/DC/PVA-2 were recorded to be 222.65 mg/g and 316.46 mg/g, respectively. The adsorption mechanism is dominated by the hydrogen bonding and electrostatic interactions. Further, the adsorption and desorption experiments demonstrated that LP/AA/DC/PVA-2 hydrogel have excellent reusability.
Subject(s)
Coloring Agents , Water Pollutants, Chemical , Coloring Agents/chemistry , Pectins , Adsorption , Hydrogels/chemistry , Congo Red , Kinetics , Water Pollutants, Chemical/chemistry , Methylene Blue/chemistry , Hydrogen-Ion ConcentrationABSTRACT
Pickering emulsion gels represent a novel class of non-toxic and biocompatible emulsions, offering extensive applications in the pharmaceutical and food additive sectors. This study delineates the synthesis of Pickering emulsion gels utilizing native and amidated pectin samples. Phenylalanine amidated pectin (AP) was procured via an ultra-low temperature enzyme method, while the control group (LP) adhered to an identical procedure without papain catalysis. Experimental outcomes revealed that the AP Pickering emulsion gel manifested superior stability compared to pectin emulsion samples (PE and LP). The Pickering emulsion gel from 5 % amidated pectin (5AP) retained stability throughout a 14-day emulsion stability assessment. Furthermore, all emulsion samples were evaluated for their capacity to deliver and sustain curcumin within an in vitro digestion simulation. Rheological properties and oil droplet size results indicated that the 5AP Pickering emulsion gel exhibited optimal cream index and emulsion stability, effectively inhibiting premature water-oil stratification within the emulsion and augmenting curcumin bioaccessibility. Within the in vitro digestion simulation, the 5AP Pickering emulsion gel demonstrated the highest curcumin bioaccessibility, measured at 17.96 %.
Subject(s)
Curcumin , Curcumin/pharmacology , Emulsions , Pectins , Temperature , Particle Size , GelsABSTRACT
As a well-known marine metal element, Cd can significantly affect bivalve mollusk life processes such as growth and development. However, the effects of Cd on the molecular mechanisms of the economically important cephalopod species Sepia esculenta remain unclear. In this study, S. esculenta larval immunity exposed to Cd is explored based on RNA-Seq. The analyses of GO, KEGG, and protein-protein interaction (PPI) network of 1,471 differentially expressed genes (DEGs) reveal that multiple immune processes are affected by exposure such as inflammatory reaction and cell adhesion. Comprehensive analyses of KEGG signaling pathways and the PPI network are first used to explore Cd-exposed S. esculenta larval immunity, revealing the presence of 16 immune-related key and hub genes involved in exposure response. Results of gene and pathway functional analyses increase our understanding of Cd-exposed S. esculenta larval immunity and improve our overall understanding of mollusk immune functions.
Subject(s)
Sepia , Animals , Sepia/genetics , Decapodiformes/genetics , Larva/genetics , Cadmium/toxicity , Transcriptome , Gene Expression Profiling/veterinary , Immunity/genetics , Computational Biology/methodsABSTRACT
In this study, an interpenetrating double-network hydrogel (LMP/AA/PVAH) was prepared based on low methoxy pectin (LMP), acrylic acid (AA) and polyvinyl alcohol (PVA). The first rigid network of chemical crosslinking was constructed via free radical polymerization of LMP and AA, and the second of ductile physical crosslinking network was constructed via cyclic freeze-thaw of PVA. The first cycle hardness and elasticity of the LMP/AA/PVAH significantly increased from 13.08 N and 0 to 24.28 N and 0.79, respectively, when the second network structure was constructed in the hydrogel by PVA. Besides, the PVA network might enhance the ductile and limit the swelling of hydrogel. In addition, the adsorption properties of LMP/AA/PVAH were evaluated by adsorption of methylene blue (MB). The adsorption behavior of MB by LMP/AA/PVAH conformed to the pseudo-second-order kinetic model. Besides, after 4 cycles of adsorption, there was no significant difference in adsorption capacity of LMP/AA/PVAH. The results showed that LMP/AA/PVAH had good reusability.
Subject(s)
Hydrogels , Polyvinyl Alcohol , Polyvinyl Alcohol/chemistry , Hydrogels/chemistry , Pectins , Methylene BlueABSTRACT
With the rapid development of nano/micro technology for commercial electronics, the typical interconnection method could not satisfy the high power-density packaging requirement. The 2.5D/3D integrated packaging was seen as a promising technology for nano/micro systems. The gold (Au) bump was the frequently used bonding method for these systems because of its excellent thermal, electric, and mechanical performance. However, relatively little work has been performed to analyze its height uniformity. In this study, the simulation and experimental methods were used to analyze the Au bump height uniformity. Firstly, the electroplating process of Au bump under different flow field parameters was simulated by COMSOL software. The simulated results indicated that the Au+ concentration polarization was the significant reason that caused the non-uniform distribution of Au bump along the wafer radius. Meanwhile, the flow field parameters, such as inlet diameter, inlet flow, titanium (Ti), wire mesh height, and Ti wire mesh density, were optimized, and their values were 20 mm, 20 L/min, 12 mm, and 50%, respectively. Subsequently, the Au bump height uniformity under different current densities was analyzed through an experimental method based on these flow field parameters. The experimental results showed that the increases of current density would decrease the Au bump height uniformity. When the current density was 0.2 A/dm2, the average height, range, and deviance values of Au bump were 9.04 µm, 1.33 µm, and 0.43 µm, respectively, which could reach the requirement of high density and precision for 2.5D/3D integrated packaging.
ABSTRACT
In this paper, α-alanine and ß-alanine were used as modifiers to prepare α-alanine amidated pectin (α-AP) and ß-alanine amidated pectin (ß-AP) through enzymatic method. The effects of alanine and its isomer on the amidation degree and physicochemical properties of pectin were studied. Fourier transform infrared spectrum, proton nuclear magnetic resonance analysis, X-ray photoelectron spectrum and elemental analysis indicated that the amino groups from α-C and ß-C could be aminated with the carboxyl group of pectin to form the corresponding aminated pectin. The alanine grafting ratio of α-AP and ß-AP were 21.99% and 18.92%, respectively. The results showed that the dynamic viscosity of ß-AP was significantly higher than that of α-AP due to the influence of amino acid side chain. However, due to the higher alanine grafting ratio of α-AP, the strength of hydrogel prepared by α-AP was higher than that of ß-AP, and it also has the highest elastic modulus and swelling capacity. In addition, pectin, as a carbohydrate-based fat substitute, has been widely used in the field of food to simulate the smooth and delicate taste of fat. Compared with High methoxy pectin (HMP) and ß-AP, α-AP had better colloid stability and smaller hydrogel particles in the composite system. The results provide references for the application of amidated pectin in low-fat food.
Subject(s)
Fat Substitutes , Pectins , Alanine , Hydrogels , Pectins/chemistry , beta-AlanineABSTRACT
In this study, pectin was modified with phenylalanine by ultra-low temperature enzymatic method to improve its gel properties. The grafting ratio of phenylalanine amidated pectin was studied under different reaction conditions. The highest value (29.21 %) was reached a reaction temperature of -5 °C and time of 12 h. Further analysis indicated that phenylalanine and high methoxyl pectin combined at the solid-liquid two phase interface under the catalysis of papain to form phenylalanine amidated pectin. Moreover, the physicochemical properties of pectin hydrogel and its feasibility as a sustained-release drug carrier were discussed. The results showed that phenylalanine amidated pectin can form hydrogel with a certain strength under acidic conditions, and there is no need to add a lot of soluble solids and divalent cations. Besides, the phenylalanine amidated pectin hydrogel as a sustained release carrier of drugs showed more sustained and complete drug release.
Subject(s)
Hydrogels , Pectins , Delayed-Action Preparations , Drug Liberation , Hydrogels/chemistry , Pectins/chemistry , Phenylalanine , TemperatureABSTRACT
In this study, pectin (Pe) with different esterification degrees was used as raw materials to prepared hydrogel adsorbents via free radical polymerization. The effect of Pe esterification degree on hydrogel structure and adsorption performance was studied by FTIR, SEM and XPS characterization and copper ion adsorption experiment. The results demonstrated that the carboxyl group in the hydrogels was bonded to Cu2+ through electrostatic force and coordination, which was an important factor in its adsorption capacity. The hydrogels prepared from Pe with low esterification degree had finer pores and higher carboxyl content, so the adsorption capacity on both water and Cu2+ was stronger. The preparation of hydrogels from low-ester Pe was more conducive to the adsorption of copper ions. Besides, the adsorption behavior of the hydrogels on Cu2+ was investigated through the adsorption thermodynamics and kinetics. The results indicated that the adsorption kinetics of the hydrogels was in accordance with the quasi-second-order model. The adsorption of Cu2+ by hydrogels was the result of physical and chemical adsorption, which was endothermic under natural condition, and a higher temperature will result in more favorable spontaneous adsorption.
Subject(s)
Hydrogels , Water Pollutants, Chemical , Adsorption , Copper/chemistry , Esterification , Hydrogels/chemistry , Hydrogen-Ion Concentration , Kinetics , Pectins/chemistry , Water Pollutants, Chemical/chemistryABSTRACT
To further improve the performance of chitosan in food processing and preservation, this study investigated the grafting of the caffeic acid onto the chitosan in non-enzymatic and enzymatic systems. Result suggested that the caffeic acid was successfully incorporated into the chitosan in the non-enzymatic system, and the grafting ratio of modified chitosan (CA@CTS-N) was 7.49%. Moreover, lipase had a significant positive effect on the grafting reaction of the chitosan, and the modified chitosan prepared in enzymatic system (CA@CTS-E) obtained a higher grafting ratio, which was 11.82%. In both systems, the carboxyl of the caffeic acid was bonded to the amino of the chitosan and formed carbonyl ammonia. After the introduction of foreign group, many changes occurred in the functional properties of the modified chitosan. First, the water solubility of the chitosan was significantly improved from 0.00285 (native chitosan, CTS) to 0.221 (CA@CTS-N) and 0.774 g/100 mL (CA@CTS-E). The caffeoyl had a significant impact on the emulsifying properties of the chitosan. Compared with those of CTS, the modified chitosan had stronger antioxidation and antibacterial activities against Escherichia coli, Staphylococcus aureus, and Candida albicans. Finally, the pork treated with the modified chitosan exhibited longer shelf life than that treated with CTS.
Subject(s)
Caffeic Acids/chemistry , Chitosan/analysis , Chitosan/chemistry , Pork Meat , Preservation, Biological , Chemical Phenomena , Hydrogen-Ion Concentration , Red Meat , Solubility , Spectrum AnalysisABSTRACT
Chinese jujube fruits are known for their high nutritional and functional values. To protect advantageous regional jujube fruits, it is important to monitor quality indicators and trace the origin and variety. In this study, 31 quality indicators of Chinese jujubes collected from 6 main producing areas were determined. According to different origins and varieties, Chinese jujube fruits were divided into five and six categories, respectively. To simplify the parameters, eight of the main characteristics, namely, soluble sugar content, fresh mass, edible rate, Na, Mg, K, Zn, and cyclic adenosine monophosphate (cAMP), were screened based on multiple comparison, correlation analysis, and principal component analysis (PCA). According to the eight main parameters, it was found that that both the categorical and cross-validated classification accuracy of linear discriminant analysis (LDA) were 100%. The discrimination accuracy of the testing set samples based on the orthogonal partial least squares-discriminant analysis (OPLS-DA) model were 90 and 93% for geographical and varietal classification, respectively. This indicated that the eight main parameters could be used as the characteristic parameters for the origin and variety traceability of Chinese jujubes.
ABSTRACT
OBJECTIVE: To retrieve the core drug of osteoarthritis in clinic using Data Mining, predict the drug molecular action target through the Network Pharmacology, identify the key nodes of the interaction by combining with the related targtes of osteoarthritis, explore the pharmacological mechanism of Traditional Chinese Medicine against osteoarthritis and other possible mechanisms of actions. METHODS: to retrieve the commonly used therapeutic formulations for osteoarthritis patients in clinical with PubMed, CNKI, VIP, CBM, Wan Fang Database and other databases, and screen out the core drugs through the Ancient and Modern Medical Case Cloud Platform and software Gephi, filter out the core drug molecules and targets combined with TCMSP database and the targets of osteoarthritis in Genecard and OMIM database, plunge those data into R project and Cytoscape to construct the intersection model of Drug molecule-osteoarthritis, establish PPI network and GO and conduct KEGG enrichment analysis with String database. Vina molecular docking was finally implemented to draw molecular docking diagram, and the results were analyzed after comprehensive analysis. RESULTS: The core drug pairs were identified as 'Eucommiae Cortex - Achyranthis Bidentatae Radix' through correlation analysis, complex network analysis based on the coefficient. 'Eucommiae Cortex - Achyranthis Bidentatae Radix' can intervene cell behavior through multiple pathways and regulate cell metabolism, cytokine synthesis, oxidative and cellular immunity with the help of topology analysis in String Database. CONCLUSIONS: The core molecules of Quercetin and Kaempferol derived from 'Eucommia bark - achyranthes' can change the spatial conformation of PTGSs by hydrogen bonding with PTGSs, the hydrophobic bonds and van der Waals forces generated by Baicalein, Wogonin and ß-carotene, thereby changing the activity of PTGSs and affecting bone properties the process of osteoarthritis.