Thermal Behavior Investigation of LiNi1/3Co1/3Mn1/3O2-Based Li-ion Battery under Overcharged Test

Thermal behavior of its components such as separator, electrolyte, cathode, anode, and each binder were investigated by differential scanning calorimetry and thermal gravimetric (DSC/TG) to explain thermal runaway mechanism of Li‐ion battery under overcharged test. DSC results indicated the decomposition reaction temperature of SEI (solid electrolyte interface) layer in anode was at about 126°C. It was found that heat generation in anode under normal charged state increased obviously with the increasing of charged voltage. When the battery was overcharged to 4.6 V or 5.0 V, the onset temperature and heat generation of thermal reaction in anode changed a little, while those in cathode had large increase. It was proposed that thermal behavior in cathode mainly caused by the reaction of electrolyte with evolutional oxygen played a key role to thermal runaway for the studied Li‐ion battery under overcharged test.     

Oxygen Evolution in Overcharged LixNi1/3Co1/3Mn1/3O2 Electrode and Its Thermal Analysis Kinetics

The oxygen evolution behavior in overcharged LiNi_1/3Co_1/3Mn_1/3O₂‐based electrode was investigated by differential scanning calorimetry and thermal gravimetric (DSC/TG). Meantime, its thermal kinetic parameters were calculated by Kissinger's and Ozawa's method. As observed by DSC/TG, two exothermic peaks at 239 and 313°C in washed cathode (4.6 V), were attributed to two steps of oxygen evolution. More importantly, the temperature of its oxygen release processes decreased obviously compared with that charged to 2.8 V. Activation energy (E) for the first and second oxygen evolution, both of which were assumed closely to be the first order reaction, between 200 and 350°C in Li_0.204Ni_1/3Co_1/3Mn_1/3O₂‐based electrode were calculated as 113.63 and 158.13 kJ·mol⁻¹, respectively and the corresponding Arrhenius pre‐exponential factors (A) of 1.05×10¹¹ and 6.46×10¹³s⁻¹ were also obtained. The different energy barrier of such two steps of oxygen evolution should probably be ascribed to the different bond energy of M–O (M=Mn, Co, Ni).     

Synthesis, characterization, and application of titanate nanotubes for Th(IV) adsorption

Titanate nanotubes (TNTs) have been synthesized by a hydrothermal method using rutile TiO₂ powder as titanium source. The determination of the structure and morphology was characterized by XRD, FTIR, SEM and TEM. The results indicate that the TNTs successfully synthesized under hydrothermal conditions of 150 °C. The adsorption of Th(IV) on TNTs was studied as a function of contact time, pH values, ionic strength, initial Th(IV) concentration and temperature under ambient conditions by using batch technique. The results indicate that adsorption of Th(IV) on TNTs is strongly dependent on pH values, but weakly dependent on ionic strength; Adsorption kinetics was better described by the pseudo-second-order model. The adsorption isotherms are simulated by Langmuir and Freundlich models well. ΔG°, ΔH° and ΔS° free energy were calculated from experimental data, The results indicate that the adsorption of Th(IV) on TNTs is an endothermic and a spontaneous process, and increases with increasing temperature. The adsorption of Th(IV) on TNTs is mainly dominated by chemical sorption or surface complexation.     

Photoinduced electron transfer in coaggregates of dicyanonaphthalene and pyrazoline

The photophysical properties of mixed coaggregates containing 1,4-dicyanonaphthalene (DCN) and 1,3,5-triphenyl-2-pyrazoline (TPP) have been studied. The absorption spectra of mixed coaggregates indicate that a charge-transfer complex is not formed in the ground state between DCN and TPP. The fluorescence of TPP in the mixed coaggregates is quenched by DCN, accompanied with a broad and structureless emission at about 560 nm from an exciplex between DCN and TPP. The color of the emission from mixed coaggregates is tunable by changing the DCN content. The excited-state properties of the TPP-DCN molecule pair are investigated theoretically with a quantum chemistry method. The theoretical results have also confirmed that the broad emission at about 560 nm in the mixed coaggregates originates from the exciplex rather than from the charge-transfer complex.     

Determination of ipriflavone in human plasma by LC-MS and its application in a pharmacokinetic study

A sensitive liquid chromatography-mass spectrometric method was developed for the quantification of ipriflavone in human plasma. The method utilized liquid-liquid extraction of plasma with ethyl acetate. A gradient elution was performed on a Hedera ODS-2 column (150×2.1 mm i.d., 5 μm), using a mobile phase consisting of 0.1% formic acid solution and methanol at a flow rate of 0.5 mL/min. The single quadrupole mass spectrometer was operated in selected-ion monitoring mode via positive electrospray ionization interface detecting m/z 239.1 and 285.1 for ipriflavone and diazepam (the internal standard), respectively. To improve the selectivity and sensitivity, the fragment ion m/z 239.1, which was produced by in-source collision-induced dissociation, was chosen as the quantitative ion for ipriflavone. The method was fully validated and applied to a pharmacokinetic study of ipriflavone. After oral administration of a single 200 mg ipriflavone tablet, the C(max,) AUC(0-72 h) , t(1/2) and T(max) were 6.3±6.3 ng/mL, 80.0±69.1 μg h/L, 23.0±8.6 h and 3.4±2.1 h, respectively.     

Room Temperature Anhydrous Suzuki–Miyaura Polymerization Enabled by C−S Bond Activation

The Suzuki–Miyaura cross-coupling is one of the most important and powerful methods for constructing C−C bonds. However, the protodeboronation of arylboronic acids hinder the development of Suzuki–Miyaura coupling in the precise synthesis of conjugated polymers (CPs). Here, an anhydrous room temperature Suzuki–Miyaura cross-coupling reaction between (hetero)aryl boronic esters and aryl sulfides was explored, of which universality was exemplified by thirty small molecules and twelve CPs. Meanwhile, the mechanistic studies involving with capturing four coordinated borate intermediate revealed the direct transmetalation of boronic esters in the absence of H₂O suppressing the protodeboronation. Additionally, the room temperature reaction significantly reduced the homocoupling defects and enhanced the optoelectronic properties of the CPs. In all, this work provides a green protocol to synthesize alternating CPs.