Designed Monomers and Polymers最新文献

Endeavors have been made to construct new donor-acceptor (D-A) monomers utilizing 9 H-carbazole (CB) as electron donors and different electron acceptors. All estimations were finished using DFT and TD-DFT, and B3LYP level with a 6-311 G basis set in the gas and chloroform solvent. The impacts of the distinctive acceptors on the geometry of molecules and optoelectronic properties of these D-A monomers were discussed to dissect the connection connecting the molecular structures and the optoelectronic properties. Likewise, the HOMO - LUMO energies, atomic orbital densities are calculated theoretically. Notwithstanding the charge transfer measure between the carbazole electron donor unit and the electron acceptor one is upheld by breaking down the optical spectra of the acquired monomers and the restriction of involved HOMO and LUMO. The outcomes show that the D-A monomers, CB-ODP, CB-TDP, and CB-SDP, are acceptable for optoelectronic applications in organic solar cells like BHJ.

Implanted medical devices that have poor friction property or biofilm formation can limit their service life and cause discomfort in patients. Recently, some zwitterionic coatings have been studied to modify the biomaterials surface for lubricating function, but the grafting methods of coatings are complicated and also seldom take the bacterial antiadhesion property into account at the same time. In our studies, motivated by the properties of nature mussels and human articular, we firstly successfully synthesized double adhesion protection of self-adhesive ternary polymer coating and achieved the excellent lubrication and antifouling functionalization of the medical devices surface. In details, the X-ray photoelectron spectroscopy, scanning electron microscope and the water contact angles could characterize the successful modification on the surface of titanium substrate. Additionally, the tribological tests carried out by atomic force microscope verified the ternary polymer could enhance the lubrication property owing to the hydration lubrication mechanism. Meanwhile, it also possessed the bacterial antiadhesion property for the initial 24 h attributed to the hydration repulsive force. We believe that, as a simple and universal preparation method, the ternary polymer could make a great significance for improving the surface function of biomaterials and alleviating patients' discomfort.

Novel monomer, N, N'-bis(acryloyl) cystinamide (NBACA), was designed and synthesized with L-cystine as row material. By using this NBACA both as the monomer and crosslinker, reduction-sensitive nanohydrogel was prepared in ethanol via distillation-precipitation polymerization. The obtained nanohydrogel can provide a relatively hydrophobic environment and hydrogen-bonding sites inside the gel; therefore, it is suitable for loading hydrophobic drug. When paclitaxel that possess poor water-solubility was used as a model drug, the nanohydrogel represented a high drug-loading capacity, and dispersed well in aqueous solutions. Furthermore, the disulfide-group-containing nanohydrogel exhibited good reduction-sensitive drug-release behavior. The nanohydrogel biodegraded rapidly in a reducing environment, and released approximately 80% of the PTX within 24 h. Cytotoxicity assays showed that the PTX-loaded nanohydrogel exhibited high cytotoxicity against MCF-7 breast cancer cells, while blank nanohydrogels displayed a negligible cytotoxicity.

The kinetics of ring-opening polymerization (ROP) of ε-caprolactone (ε-CL) initiated by 1.0, 1.5 and 2.0 mol% of stannous(II) octoate/n-hexanol (Sn(Oct)₂/n-HexOH) wase successfully studied by non-isothermal differential scanning calorimetry (DSC) at heating rates of 5, 10, 15 and 20 °C/min. The DSC polymerization kinetic parameters of ε-CL were calculated using differential (Friedman) and integral isoconversional methods (Kissinger-Akahira-Sunose, KAS). The average activation energy (E_a ) values obtained from Friedman and KAS methods were in the range of 64.9-70.5 kJ/mol and 64.9-80.4 kJ/mol, respectively. The values of frequency factor (A) were determined from model fitting method using Avrami-Erofeev reaction model. The average values of A for the ROP of ε-CL initiated by 1.0, 1.5 and 2.0 mol% of Sn(Oct)₂/n-HexOH (1:2) were 7.3x10⁷, 2.8x10⁶ and 1.2x10⁶ min^-1, respectively. From kinetics studied, the polymerization rate of ε-CL increased with increasing initiator concentration. The performance of Sn(Oct)₂/n-HexOH in the synthesis of poly(ε-caprolactone) (PCL) was investigated by bulk polymerization at temperatures of 140, 160 and 180 °C. Sn(Oct)₂/n-HexOH (1:2) could produce high number average molecular weight ( $\overline{M_n}$ = 9.0 × 10⁴ g/mol) and %yield (89%) of PCL in a short period of time at Sn(Oct)₂ concentration of 0.1 mol% and temperature of 160°C. The mechanism of the ROP of ε-CL with Sn(Oct)₂/n-HexOH was proposed through the coordination-insertion mechanism.

The research on the diffusion of water in coatings has been a hot topic in many fields, such as chemistry, coating structure and hydrogen bonding. In this paper, DGEBA epoxy coating was used as a sample to explore the diffusion process of 3 wt.% NaCl solution at different temperatures. Two-stage diffusion was established by immersion experiment and MD simulation. The synergistic effect of temperature and water on DGEBA properties was revealed by FTIR method and adsorption-desorption cyclic testing. The results showed that as the temperature increased, the saturation water content in coatings increased. At different temperatures, the diffusion process of water presented two-phase characteristics, and the influence of temperature on the diffusion process was mainly manifested in the cross-linking density at higher locations. Based on the variation law of swelling coefficient in per unit time (24 h), the conditions for water-coating interaction and formation of water clusters in this paper were proposed. The synergistic effect of water and temperature on DGEBA properties was reflected in two aspects: at lower temperature (20 °C), water would only change the physical structure of the coatings, while the water broke the DGEBA chains at higher temperature (60 °C).

At present, bacteria continue to threaten human health, and the resistance of bacteria to antibiotics continues to increase, so the development of new antibacterial agents and antibacterial materials is increasingly important to ensure human health. In this paper, three polyether biguanide compounds with high antibacterial properties were synthesized by reacting polyetheramine T403 with o-tolylbiguanide, m-tolylbiguanide and p-tolylbiguanide (o-TTB, m-TTB and p-TTB), respectively. The antimicrobial performance of polyether biguanide against E. coli and S. aureus was evaluated using a minimum inhibitory concentration method, and the results showed that the synthesized polyether biguanide exhibited efficient and broad-spectrum antimicrobial effects. Among them, o-tolyl biguanide derivative o-TTB showed the best antimicrobial performance, with minimum inhibitory concentrations of 20 and 15 μg/mL against E. coli and S. aureus, respectively. Then, epoxy resin E51 was cured using the obtained TTB as a curing agent to prepare an epoxy resin with antibacterial properties. The inhibition of the growth of S. aureus by the cured o-TTB/E51 resin was investigated by incubating the cured epoxy resin with bacteria, and the results showed that the cured resin had a significant inhibitory effect on the growth of bacteria. The non-isothermal curing kinetics of the o-TTB/E51 system were investigated by differential scanning calorimetry (DSC) to determine the optimized curing reaction temperature, curing kinetic parameters and curing kinetics equation.

Structural features such as the shape, the lattice constant, the bond length, the total energy per cell, and the energy bandgap (E_g) of C₁₃H₈OS-X are studied by the calculating Partial Density Of States (PDOS), and DOS package of the Material Studio (MS) software. Calculations show that the bond length and the bond angle between atoms insignificant change as 1.316 Å to 1.514 Å for C-C, 1.211 Å for C-O, 1.077 Å to 1.105 Å for C-H; bond angle of round one changes from 118.883° to 121.107° for C-C-C, from 117.199° to 122.635° for H-C-C, from 119.554° to 123.147° for C-C-O and from 109.956° to 117.537° for C-C-H. When C13H8OS-X doped in the order of -Br, -Cu, -Kr, -Ge, -As, and -Fe then bond lengths, bond angles between atoms have a nearly constant value. Particularly for links C-X, there is a huge change in value, respectively 1.876, 1.909, 10.675, 2.025, 2.016, 2.014 Å; the total energy change from E_tot = -121,794 eV to E_tot = -202,859 eV, and the energy band gap decreases from E_g = 2.001 eV to E_g = 0.915 eV. The obtained results are useful and serve as a basis for future experimental research.

In order to improve the flame-retardant effect and thermal behaviour of rigid polyurethane foam (RPUF), the flame retardancy of sodium alginate (SA), aluminium diethyl phosphite (ADPO₂) and expandable graphite (EG) were proposed. First, the structures of RPUF with or without flame retardancy were confirmed by scanning electron microscopy (SEM). Additionally, the combustion behaviours and thermal performance of the flame-retardant polyurethane were evaluated through thermogravimetric analysis (TGA), limiting oxygen index (LOI) tests, and UL-94 tests. Finally, the cone calorimeter results reveled the RPUF/5ADPO₂/7.5SA/7.5EG exhibit excellent thermodynamic properties. The results of the heat release rate (HRR), total heat release (THR), total smoke production (TSP), and smoke production rate (SPR) could demonstrate the smoke-suppressant and flame-retardant of polyurethane. The system of RPUF/ADPO₂/SA/EG showed excellent flame-retardant in polyurethane.

Titania is considered to be one of the most versatile material in its nanoform. Scientific community looks towards it to address various pressing global problems. One such problem is aquatic pollution arising from organic chemicals such as dyes, pesticides, antibiotics etc. due to industrial, domestic and agricultural activities. Titania proves to be very effective to address this problem owing to its superior photocatalytic properties. In this review, we will review the recent advances in titania-based nanocomposites. The recent advances discussed in this review include synthesis of titania, modification of titania, exploration of various supports such as silica, carbon, graphene etc., that is documented to enhance its environmental remediation properties.

The 1.0 G dendrimer (C₂₂H₄₈N₁₀O₄),3,5-di-tert-butylsalicylaldehyde and TiCl₄ · 2THF were used as the synthetic materials, and the dendritic salicylaldehyde imide ligand with substituent hindrance and its titanium catalyst were synthesized by the condensation reaction of schiff base. The structure of the synthesized products was characterized by infrared spectroscopy, nuclear magnetic resonance hydrogen spectroscopy, ultraviolet spectroscopy, electrospray mass spectrometry, and inductively coupled plasma mass spectrometry, The actual structure is consistent with the theoretical design structure. Activated methylaluminoxane (MAO) was used as a catalyst precursor for ethylene polymerization in the process of ethylene catalytic. The effects of ethylene polymerization were studied in terms of the Al/Ti molar ratio, reaction time, reaction temperature, polymerization pressure, and ligand structure of the catalyst. The results show at the reaction temperature of 25°C, the reaction time was 30 min, and the ethylene pressure was 1.0 MPa and Al/Ti was 1,000, the catalytic activity can reach 78.56 kg PE/(mol Ti.h). Furthermore, high-temperature GPC-IR, DSC, and torque rheometer were used to characterized the microstructure, thermal properties, and viscoelastic state of polyethylene samples obtained. The results showed that the product was ultra-high-molecular-weight polyethylene.