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1.
The development of effective drug delivery vehicles is essential for the targeted administration and/or controlled release of drugs. Using first-principles calculations, the potential of alkali metal (AM = Li, Na, and K) decorated C60 fullerenes for delivery of 5-fluorouracil (5FU) is explored. The adsorption energies of the 5FU on a single AM atom decorated C60 are −19.33, −16.58, and −14.07 kcal mol−1 for AM = Li, Na, and K, respectively. The results, on the other hand, show that up to 12 Li and 6 Na or K atoms can be anchored on the exterior surface of the C60 fullerene simultaneously, each of which can interact with a 5FU molecule. Because of the moderate adsorption energies and charge-transfer values, the 5FU can be simply separated from the fullerene at ambient temperature. Furthermore, the results show that the 5FU may be easily protonated in the target cancerous tissues, which facilitates the release of the drug from the fullerene. The inclusion of solvent effects tends to decrease the 5FU adsorption energies in all 5FU-fullerene complexes. This is the first report on the high capability of AM decorated fullerenes for delivery of multiple 5FU molecules utilizing a C60 host molecule.

DFT calculations show the capability of alkali metal (AM = Li, Na, and K) decorated C60 fullerenes to deliver multiple 5-fluorouracil 5FU molecules. The results show 5FU may be protonated to target cancerous tissues, this causes the drug to be realised from the fullerene.  相似文献   

2.
The present study aims to develop cubosomes with surface cross-linked chitosan for sustained drug delivery and enhanced oral bioavailability of vinpocetine (VPT). GMO based liquid cubosomes with VPT loading were prepared by the high pressure homogenization method. In order to enhance the anti-digestion effect, chitosan was cross-linked on cubosomes by the Schiff reaction, followed by solidification via spray drying. The obtained spray-dried cubosomes (chito-cubosomes) are spherical microspheres with nano-sized holes on the surface. After reconstitution, the particle size and zeta potential of chito-cubosomes were determined to be ∼250 nm and +35.9 mV, respectively. In comparison to unmodified liquid cubosomes, chito-cubosomes exhibited a significant anti-digestion effect with a typical sustained release profile. In comparison to a VPT suspension, liquid cubosomes showed a 2.5-fold higher Cmax and 3.0-fold higher AUC0–∞, while chito-cubosomes further enhanced bioavailability (5.0-fold) with prolonged MRT (2.2-fold) and delayed Tmax (2.8-fold). The results suggested that chito-cubosomes could be a promising drug carrier for enhancing oral absorption with sustained release behavior.

Cubosomes with surface cross-linked chitosan exhibit anti-digestion effect, sustained drug release behavior, and significantly enhanced oral bioavailability of vinpocetine.  相似文献   

3.
The emerging field of nanomedicine gives new opportunities in the treatment of cancer. Aspects such as dosage, bioavailability or the application to the patient can be drastically improved. Previously our group reported an efficient route towards cross-linked nanospheres based on ABB′ block copolymers made from 2-vinylpyridine (2VP), diethyl vinylphosphonate (DEVP) and diallyl vinylphosphonate (DAlVP). Followed by thiol–ene click chemistry stable nanoparticles were formed. Herein, this promising concept was extended to copolymers with the analogous B′BABB′ architecture. In this context the new yttrium complex 5 was investigated in the rare-earth metal-mediated group transfer polymerisation (REM-GTP) and used for the generation of copolymers with different monomer feeds (2VP: 100–300 equiv.; DEVP: 200–300 equiv.; DAlVP: 6–20 equiv.) to explore the influence of the copolymer compositon on the nanoparticle properties. After successful cross-linking with various cross-linking agents, all nanoparticles were characterised via DLS and TEM. These size measurements revealed defined, almost spherical particles (dDLS = 17–52 nm; dTEM = 17–43 nm) and were mainly affected by the 2VP content and the cross-linking density. Zeta potential measurements resulted in values in the range from −6 mV to −22 mV and revealed an influence of the cross-linking agent on the surface charge. Studies on the release behaviour exhibited the fastest release at pH = 4.5. Temperature-wise best results were achieved at 42 °C. Furthermore, we aimed for the conjugation of folic acid as a model compound for a potential application in active drug targeting. The consecutive couplings of cysteamine and dithiol 6 enabled the formation of an amine-modified precursor which was reacted with a folic acid derivative. Zeta potential measurements and analysis by NMR spectroscopy corroborated a successful conjugation while DLS and TEM (dDLS = 44 nm; dTEM = 38 nm) indicated defined nanoparticles.

Defined, stable nanoparticles were synthesised from block copolymers generated via REM-GTP and functionalised with folic acid.  相似文献   

4.
Herein, three-dimensional (3D) N-doped reduced graphene oxide (N-rGO) nanosheets were decorated with a uniform distribution of Co–Ni–S (CNS) nanoparticles to form the CNS/N-rGO composite as a sulfur host material for lithium–sulfur batteries. The CNS nanoparticles and N in CNS/N-rGO strongly interact with polysulfides, whereas graphene, as a conductive network, can improve its electrical conductivity. A CNS/N-rGO/sulfur composite cathode was prepared via the sulfur melting diffusion method. The electrochemical study showed that the CNS/N-rGO/sulfur cathode delivered an initial discharge capacity of 1430 mA h g−1 at a current density of 0.1C. Moreover, it retained a specific capacity of 685 mA h g−1 after 300 cycles at 0.5C with a coulombic efficiency of 98%, which was better than that of commercial rGO. This composite was used as a sulfur cathode for a lithium–sulfur battery, exhibiting excellent rate capability and remarkable performance in terms of long cycling stability.

Herein, three-dimensional (3D) N-doped reduced graphene oxide (N-rGO) nanosheets were decorated with a uniform distribution of Co–Ni–S (CNS) nanoparticles to form the CNS/N-rGO composite as a sulfur host material for lithium–sulfur batteries.  相似文献   

5.
Bismuth vanadate photoanode has shown great potential for photoelectrochemical (PEC) catalysis, but it needs to be further modified because of its relatively low charge-separation efficiency and poor stability. Herein, the bimetallic phosphide NiCoP decorated Mo–BiVO4 is fabricated through the electrodeposition and drop-casting method, which significantly improves the charge separation and surface oxidation reaction. Therefore, the fabricated NiCoP/Mo–BiVO4 photoanode exhibits a low onset potential of 0.21 V (vs. RHE) and high photocurrent of 3.21 mA cm−2 at 1.23 V (vs. RHE), which is 3.12 times higher than that of pure BiVO4. Importantly, the decoration of NiCoP significantly improve the stability of BiVO4 photoanode.

Bimetallic phosphide NiCoP decorated Mo–BiVO4 photoanode was fabricated, and showed significantly improved photoelectrochemical activity and stability.  相似文献   

6.
A new strategy for preparing mesoporous metal-doped bioactive glass fibers (MBGFs) was designed, which included electrospinning and sulfonating mesoporous PS fibers, precipitating metal ions and bioactive glass sol–gel precursor into the mesoporous polystyrene (PS) fibers and calcinations. Silver-doped mesoporous BGFs (Ag-MBGFs) with a uniform diameter of 1–2 μm and a specific surface area of 40.22 m2 g−1 were prepared as an example and characterized by SEM, XRD, TG, ICP and FTIR. These Ag-MBGFs showed excellent bioactivity, antibacterial properties and drug loading and release performance due to their special mesoporous and fibrous structure. The concentration of Staphylococcus aureus decreased from 1 × 108 colony-forming units per mL (CFU mL−1) to 2.5 × 106 CFU mL−1 in 2 h and then to 2 × 102 CFU mL−1 in 12 h when the concentration of the Ag-MBGFs reached 16 mg mL−1. BGFs of different compositions and functions could be prepared by the same strategy in a mesoporous PS fiber template, which could enrich materials for constructing orthopedic implants.

A new strategy for preparing mesoporous metal-doped bioactive glass fibers.  相似文献   

7.
Polyelectrolyte–protein nanocomplexes prepared under mild and simple conditions which could have biological activity arising from protein have emerged as fascinating protein delivery systems. However, common polyelectrolytes have problems of biocompatibility and metabolism in vivo, which may limit their further applications. Herein, a novel polyethylene glycol polyelectrolyte was synthesized and used for carrying protein drugs. Different from previously reported polyelectrolyte–protein nanoclusters, the polyethylene glycol polyelectrolyte–protein nanoclusters avoid organic solvent and protein modification, and the structure and bioactivity of proteins are well preserved. Moreover, the polyethylene glycol polyelectrolyte–protein nanoclusters have good hemocompatibility and biocompatibility. These novel polyethylene glycol polyelectrolyte–protein nanoclusters would provide a potent tool for fabrication of versatile protein drug carriers.

Polyethylene glycol-derived polyelectrolyte–protein nanoclusters were synthesized based on electrostatic complexation for protein drug delivery.  相似文献   

8.
Clinically, the nanotherapy of tumors has been limited by the drug content, efficiency of targeted release, and bioavailability. In this study, we fabricated an amphiphilic block polymer, poly(2-methacryloyloxyethyl thiocticcarboxylate)-block-poly(N-isopropylacrylamide) (PMAOETC-b-PNIPAM), using an “ATRP polymerization–esterification” strategy for paclitaxel (PTX) delivery. The hydrophobic drug paclitaxel was encapsulated based on hydrogen bond interactions between PTX and the PMAOETC and PNIPAM blocks, together with hydrophobic interactions between PTX and PMAOETC segments, affording PTX-laden polymer micelles with ∼30% drug loading content. The critical micelle concentration of the PTX-loaded polymeric micellar aggregates was 34.53 mg l−1, as determined through fluorescence spectroscopy, which indicated favorable stability during infinite dilution by body fluids. The phase transition temperature of the micelles was tunable (36.10–39.48 °C) via adjusting the lengths of the blocks. The PTX-laden micelles showed the release of a significant amount of PTX in cancerous tissue, while negligible cytotoxicity was shown against HCT-116 cells in PBS at pH 7.4 and 37 °C. Further in vivo anticancer studies revealed that antitumor treatment using the PTX-laden micelles caused a significant suppression in tumor volume compared with a free-PTX-treated group. This study provides a reference for improving drug content levels and optimizing the therapeutic effects of drug delivery systems from the perspective of polymer preparation.

A dual temperature- and reduction-responsive nanovehicle with 29.36% paclitaxel loading was fabricated using an “ATRP polymerization–esterification” method for tumor suppression.  相似文献   

9.
The objective of this study is to develop a controlled and water-soluble delivery system for doxorubicin (DOX) based on the coating of graphene (G) with a smart polymer. A combination of polyethyleneimine (PEI) and G–DOX is investigated by performing density functional theory (DFT) calculations and molecular dynamics (MD) simulations. Several parameters have been employed to evaluate the effect of PEI on the adsorption and release mechanisms of DOX. The obtained results indicated that the binding energy of the drug molecule on G in the presence of PEI is enhanced by about 20% under neutral conditions, whereas the drug absorption becomes weaker in an acidic environment so that DOX could be separated from the carrier surface using near-infrared radiation (NIR). Based on the atom in molecule (AIM) theory, two hydrogen bonds with strengths of about −12.59 and −39.99 kJ mol−1 have been established. Furthermore, evaluating the dynamic behavior of the designed systems in water solution shows that the polymer in physiological pH rapidly adsorbed on the drug–carrier complex. However, at acidic pH, it is quickly desorbed from the carrier surface and the G–DOX complex can be exposed to cancer cells. The obtained results of the present research may be used in future experimental work to design smart DDSs.

The objective of this study is to develop a controlled and water-soluble delivery system for doxorubicin (DOX) based on the coating of graphene (G) with a smart polymer.  相似文献   

10.
In this paper, we developed a high-performance solid-state pH sensor using a Ce0.9Sr0.1(Zr0.53Ti0.47)O4 (CSZT) membrane through a very simple sol–gel spin-coating process. The structural properties of the CSZT membrane are correlated with its sensing characteristics. The CSZT based EIS sensor exhibited a high pH sensitivity of 92.48 mV pH−1, which is beyond the Nernst limit (59.4 mV pH−1), and good reliability in terms of a low hysteresis voltage of 1 mV and a small drift rate of 0.15 mV h−1. This behaviour is attributed to the incorporation of Sr in the CSZT sensing membrane, which promotes change in the Ce oxidation state from Ce4+ to Ce3+.

We developed a high-performance solid-state pH sensor using a Ce0.9Sr0.1(Zr0.53Ti0.47)O4 (CSZT) membrane through a very simple sol–gel spin-coating process.  相似文献   

11.
In this study, a novel NiCoP–CeO2 composite was constructed on a Ni foam by a simple hydrothermal method and thermal phosphating strategy. In the OER test, NiCoP–CeO2 exhibited a low overpotential of 217 mV at 10 mA cm−2, 45 mV dec−1 of Tafel slopes. With the help of theoretical calculations and experimental characterization, the reason for performance improvement was analyzed in depth. The results show that CeO2 leads to a confinement effect, maintaining the nanosheet morphology of NiCo-LDHs, which contributes to sustaining the catalyst in favourable contact with H2O and minimizing the OER potential. Furthermore, by loading CeO2 onto NiCoP, the hydrophilicity of the catalyst is significantly enhanced. Our work provides an ingenious synthesis strategy for the preparation of efficient and inexpensive electrocatalytic materials.

A NiCoP–CeO2 composite was constructed by a simple hydrothermal method and thermal phosphating strategy. Benefiting from the confinement effect and optimized H2O adsorption ability, NiCoP–CeO2 exhibits superior OER performance than NiCoP.  相似文献   

12.
Graphene sheets decorated with nickel or copper oxides that were anchored on polyaniline (denoted as PANI-graphene/NiO and PANI-graphene/CuO) were prepared by a simple, easy to-control electrochemical method and applied as novel materials for sensitive and selective methanol sensing. The fabricated sensors exhibited good electrocatalytic activity, appropriate dynamic linear range (20–1300 mM), sensitivity (0.2–1.5 μA mM−1 cm−2) and excellent selectivity towards methanol. It should be highlighted from the selectivity tests that no significant interference was observed from ethanol and other alcohols. To our best knowledge, using inexpensive but efficient transition metals like Ni, Cu instead of Pt, Pd and their composites with PANI, graphene would be scientifically novel and practically feasible approach for sensor fabrication that could be potentially used to identify methanol adulteration in counterfeit alcoholic beverages.

PANI/graphene/NiO or PANI/graphene/CuO were prepared by a simple, easy to-control electrochemical method and applied as novel materials for sensitive and selective methanol sensing.  相似文献   

13.
Nanoemulsions have emerged as novel vehicles for drug delivery that allow sustained or controlled release for topical application. In this study, kojic acid ester-based nanoemulsion (KAE-NA) was analyzed for in vitro permeation evaluation, kinetic release study, in vitro antimicrobial activity and in vivo toxicity profile on embryonic zebrafish (Danio rerio). Based on KAE-NA in vitro permeation evaluation, the percentage of permeation was significantly improved from 4.94% at 1 h to 59.64% at 8 h of application. The permeation rate of KAE-NA at 8 h was 4659.50 μg cm−2 h−1 (initial concentration, C0 = 2000 μg mL−1) with a permeability coefficient (Kp) value of 0.48 cm h−1. The kinetic release analysis showed the Korsmeyer–Peppas model was the best fitted kinetic model with high linearity [R2 = 0.9964]. Antimicrobial activity of KAE-NA was studied against the skin pathogen bacteria Staphylococcus aureus ATCC 43300. The results indicated that the inhibition zone size of the KAE-NA (8.00 ± 0.0 mm) was slightly bigger than that of its active ingredient, kojic acid ester (6.5 ± 0.0 mm). The toxicity profile of KAE-NA on embryonic zebrafish revealed less toxicity with LC50 (50% lethal concentration) more than 500 μg mL−1. The survival rate of the embryonic zebrafish was more than 80% when treated at doses ranging from 7.81–250 μg mL−1 and showed normal development throughout the experiment without any observed deformation. Hence, KAE-NA proved to be less toxic on the embryonic zebrafish.

Nanoemulsions have emerged as novel vehicles for drug delivery that allow sustained or controlled release for topical application.  相似文献   

14.
In our research, a two-step solid–liquid route was employed to fabricate flowery nickel–cobalt hydroxide with sulphur ion grafting (Ni1Co2–S). The utilization of NaOH/agar and Na2S/agar could efficiently retard the release rates of OH or S2− ions at the solid–liquid interface due to strong bonding between agar hydrogel and these anions. Ni1Co2–S generally displays ultrathin flowery micro-frame, ultrathin internal nanosheets and expanded pore size. Besides, the introduction of suitable sulphide species into nickel–cobalt hydroxide could improve its conductivity due to the lower band gap of Ni–Co sulphide. The supercapacitive electrode Ni1Co2–S presented capacitance of 1317.8 F g−1 (at 1 A g−1) and suitable rate performance (77.9% at 10 A g−1 and 59.3% at 20 A g−1). Furthermore, a hybrid supercapacitor (HSC) was developed utilizing positive Ni1Co2–S and negative activated carbon electrodes. As expected, the HSC device exhibited excellent specific capacitance (117.1 F g−1 at 1 A g−1), considerable energy densities (46.7 W h kg−1 at 0.845 kW kg−1 and 27.5 W h kg−1 even at 9 kW kg−1) and suitable cycling performance, which further illuminated the high energy storage capacity of Ni1Co2–S.

The Ni1Co2–S material fabricated via a solid–liquid route achieves high-performance supercapacitive storage.  相似文献   

15.
With the merits of high safety and energy density, all-solid-state zinc–air batteries possess potential applications in flexible and wearable electronic devices. Especially, the air cathodes with bifunctional catalytic activity, i.e. oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) have been received enormous attention. In this work, we provide a novel phosphorus/nitrogen co-doped and bimetallic metal–organic framework (MOF)-derived cathode configurated with phosphorus-doped bimetallic FeNi alloys and a nitrogen-doped porous carbon layer loaded on graphene (P–FeNi/NC@G). The P–FeNi/NC@G electrode exhibits a superior OER activity with an overpotential of 310 mV at 10 mA cm−2 and an ORR performance with a half-wave potential of 0.81 V. With P–FeNi/NC@G as the air cathode, the integrated all-solid-state rechargeable zinc–air battery presents a high open-circuit voltage of 1.53 V, a high peak power density of 159 mW cm−2, a small charge–discharge voltage gap of 0.73 V at 5 mA cm−2, as well as excellent long-term stability up to 144 cycles. This work not only expands the air cathode materials database but also develops a new co-doped synthesis method that can be utilized to fabricate a cathode with promoted catalytic efficiency, resulting in improved performance for an all-solid-state zinc–air battery.

The bimetallic FeNi-MOFs are employed to fabricate P–FeNi and N–carbon co-doped bifunctional catalyst. Due to the enhanced catalytic performance, the peak power density of all-solid-state zinc–air battery is 159 mW cm−2.  相似文献   

16.
High performance supercapacitor without binders has attracted wide attention as an energy storage device. In this work, novel NH4V4O10 nanobelts were successfully synthesized and decorated into TiN nanotube arrays by a simple hydrothermal method. The as-prepared no-binder electrode hybrids exhibited excellent electrochemical performances with a specific capacitance of 749.0 F g−1 at 5 mV s−1 and a capacity retention of 85.7% after 200 cycles, which makes it an appealing candidate for electrode materials of supercapacitors.

NH4V4O10 nanobelts were synthesized and decorated into TiN nanotube arrays as supercapacitor electrode with a specific capacitance of 749.0 F g−1 at 5 mV s−1 and a capacity retention of 85.7% after 200 cycles.  相似文献   

17.
A cyclic analog of natural peptide Yunnanin A was synthesized via photoinduced single electron transfer reaction (SET) in the paper. The resulting compound exhibited potent bioactivity (with IC50 values 29.25 μg mL−1 against HepG-2 cell lines and 65.01 μg mL−1 against HeLa cell lines), but almost have no toxicity to normal cells (with IC50 values 203.25 μg mL−1 against L929 cell lines), which may be served as a potential antitumor drug for medical treatment. The spatial structure was examined by experimental electronic circular dichroism (ECD) and quantum chemistry calculations. Moreover, the theoretical study suggested that special intramolecular hydrogen bonds and γ, β-turn secondary structures may be possible sources affecting cyclic peptide''s bioactivity.

The photo-induced synthesis, structure and in vitro bioactivity study of a Yunnanin A cyclopeptide analog was presented.  相似文献   

18.
The two-dimensional (2D) vertical van der Waals (vdW) stacked homojunction is an advantageous configuration for fast low-power tunneling field effect transistors (TFETs). We simulate the device performance of the sub-10 nm vertical SnSe homojunction TFETs with ab initio quantum transport calculations. The vertically stacked device configuration has an effect of decreasing leakage current when compared with its planar counterpart due to the interrupted carrier transport path by the broken connection. A subthreshold swing over four decades (SSave_4 dec) of 44.2–45.8 mV dec−1 and a drain current at SS = 60 mV dec−1 (I60) of 5–7 μA μm−1 are obtained for the optimal vertical SnSe homojunction TFET with Lg = 10 nm at a supply voltage of 0.5–0.74 V. In terms of the device''s main figures of merit (i.e., on-state current, intrinsic delay time, and power delay product), the vertical SnSe TFETs and NCTFETs outperform the 2022 and 2028 targets of the International Technology Roadmap for Semiconductors requirements for low-power application (2013 version), respectively.

The vertical SnSe homojunction TFETs and NCTFETs are potential candidates for fast low-power application.  相似文献   

19.
Reduced graphene oxide (RGO) decorated with octahedral NiS2/NiS nanocrystals were fabricated via a facile synthetic strategy. By appropriate adjustment of the weight ratio of GO and NiS2/NiS nanocrystals, RGO–NiS2/NiS nanocomposites with an excellent microwave absorption performance were achieved. As expected, RGO–NiS2/NiS nanocomposites in a polyvinylidene fluoride (PVDF) matrix with different mass fractions (5, 10, 15, 20 wt%) possess effective absorption in the high frequency range with a thin thickness (1.5 mm) compared with those of octahedral NiS2/NiS nanocrystals. It was revealed that RGO–NiS2/NiS nanocomposites with a GO : NiS2/NiS weight ratio of 1 : 4 exhibited the most prominent microwave absorption property. The optimal effective frequency bandwidth of this sample covers 4.32 GHz at a thin coating layer of 1.5 mm (15 wt%). The corresponding reflection loss value can reach −32.2 dB at 14.32 GHz. Moreover, the fundamental attenuation mechanisms are also discussed in detail.

Reduced graphene oxide (RGO) decorated with octahedral NiS2/NiS nanocrystals were fabricated and they possessed an excellent microwave absorption performance in the high frequency range.  相似文献   

20.
The ability to tune the adsorption strength of the targeted gas on sensing materials is crucial for sensing applications. By employing first-principles calculations the adsorption and sensing properties of HCHO on small Pdn (n = 1–6) cluster decorated graphene have been systematically investigated. The adsorption energy is found to depend on the size of the Pdn cluster and can be tuned in a wide range from −0.68 eV on Pd(111) to −1.98 eV on the Pd3/graphene system. We also find that the Pdn/graphene (n = 5 and 6) systems have an appropriate adsorption energy for HCHO gas sensing. The current–voltage curves are calculated by the non-equilibrium Green''s function method for the two-probe nano-sensor devices along both the armchair and zigzag directions. The devices constructed with Pdn/graphene (n = 5 and 6), having the highest absolute response over 20% at small voltages, should be applicable for HCHO detection. This work provides a theoretical basis for exploring potential applications of metal cluster decorated graphene for gas sensing.

The adsorption strength of formaldehyde gas molecule and sensing response property on palladium cluster decorated graphene can be tuned by controlling the cluster size.  相似文献   

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