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101.
合成了标题卟啉配体及其钴、镍、铜、锌和铁的五种配合物.对它们进行了元素分析、UV、IR和荧光光谱等结构表征.用DTA、TG、DSC等手段研究了这些新化合物的热稳定性及热分解机理,实验结果与HMO方法计算的结果一致.  相似文献   
102.
利用热重分析及原位红外光谱等方法,定性、定量地研究了三价铬和丙二酸形成的配合物[Cr(C3H2O4)(H2O)][Cr(C3H2O4)2(H2O)2]·4H2O的热解过程,提出了室温至400℃下的详细热解途径.基于多种实验结果,分析了螯合物中六员环的化学键断裂方式,并由配合物的快原子轰击质谱(FAB-MS)加以佐证.  相似文献   
103.
An experimental study of the thermal decomposition of powdered cellulose and pine sawdust has been performed. The influence of the heating rate on the temperature profiles in the sample and on the solid conversion rate has been studied. A mathematical model without adjustable parameters has been used to calculate the temperature at different points in the solid bed and the average total solid conversion. The experimental results have been compared with those calculated by the model. A good agreement has been obtained for sawdust. Some differences are observed for cellulose at high heating rates, and the influence of the thermal conductivity and the reaction heat on the results has been analysed.  相似文献   
104.
The thermal dehydration of copper(II) acetate hydrate has been studied between 353 and 406 K, over a range of humidities. The dehydration is controlled by nucleation-and-growth kinetics at low temperatures, with an activation energy of 154 kJ·mol−1, which changes to contracting-disc kinetics at higher temperatures with a lower activation energy of 76 kJ·mol−1. Frequency factors have also been derived; the value for the high temperature process is low (107s−1) and that for the low temperature step is high (1017s−1). Optical microscopy has been used to clarify the bulk kinetics; there is evidence for a reactive layer at the surface of the decomposing solid. In celebration of the 60th birthday of Dr Andrew K. Galwey  相似文献   
105.
106.
Energy components used in solid rocket propellants are beneficial for improving the energy performance, and their thermal decomposition characteristics significantly affect the combustion properties of the propellants. As a kind of energetic material with both high energy and low sensitivity (impact and friction), 5, 5'-bistetrazole-1, 1'-diolate (TKX-50) can effectively improve the energy and safety characteristics of solid propellants. Burning catalyst is another important component of solid propellants, which can significantly improve the burning rate of the propellant and reduce the pressure exponent. Among various burning catalysts, nanoscale transition metal oxides can promote the thermal decomposition of the energetic component, thus enhancing the combustion properties of the solid propellant. However, the catalytic effects of nanoscale transition metal oxides with different morphologies on the thermal decomposition of TKX-50 have rarely been studied. Based on the excellent catalytic activity of Fe2O3 for TKX-50 thermal decomposition, nano-Fe2O3 particles with spherical and tubular microstructures were used for TKX-50 thermal decomposition. The Fe2O3 nanoparticles were successfully fabricated via the solvothermal method and characterized by scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) analyses. The XRD, FT-IR, and XPS results confirmed the successful fabrication of spherical and tubular Fe2O3 samples. The SEM and TEM images showed that the spherical Fe2O3 samples are composed of agglomerated Fe2O3 nanoparticles with an average particle size of 110 nm. In addition, the average diameter and length of hollow tubular Fe2O3 nanoparticles are 120 nm and 200 nm, respectively. The catalytic activities of spherical and tubular Fe2O3 for TKX-50 decomposition were studied by thermogravimetric analysis (TG) and differential scanning calorimetry (DSC) methods. The DSC and TG-DTG curves showed that both tubular and spherical Fe2O3 could effectively promote TKX-50 thermal decomposition. The first thermal decomposition peak temperature (TFDP) of TKX-50 was reduced by 36.5 K and 26.3 K in the presence of tubular and spherical Fe2O3, respectively, at 10 K·min1. The activation energy (Ea) of TKX-50, determined by the iso-conversional method, was significantly reduced in the presence of both tubular and spherical Fe2O3. The results indicated that the microstructure of the catalyst has a significant effect on its catalytic performance for TKX-50 thermal decomposition, and that tubular Fe2O3 with hollow microstructure possesses better catalytic activity than spherical Fe2O3. The excellent catalytic activity of tubular Fe2O3 can be attributed to the hollow microstructure, which has more active sites for TKX-50 thermal decomposition.  相似文献   
107.
    
Domain wall motion is detected for the first time during the transition to a ferroelastic and spin state ordered phase of a spin crossover complex. Single-crystal X-ray diffraction and resonant ultrasound spectroscopy (RUS) revealed two distinct symmetry-breaking phase transitions in the mononuclear Mn3+ compound [Mn(3,5-diBr-sal2(323))]BPh4, 1. The first at 250 K, involves the space group change CcPc and is thermodynamically continuous, while the second, PcP1 at 85 K, is discontinuous and related to spin crossover and spin state ordering. Stress-induced domain wall mobility was interpreted on the basis of a steep increase in acoustic loss immediately below the the Pc-P1 transition  相似文献   
108.
    
《Arabian Journal of Chemistry》2020,13(10):7289-7301
Black pepper oils have been investigated frequently in the recent years. However, there is a significant variation in physicochemical properties and bioactivity of oils depended on extraction techniques. In this study, the systemic investigation of four various extraction methods was performed to evaluate the physicochemical characterizations, antioxidant and antibacterial activity. The investigation of 1H NMR, FTIR and UV–Vis spectra confirmed presence of non-volatile components in oils extracted through supercritical CO2 and hexane-soaking extractions which induced their typical thermal properties. The isothermal behaviour of extracted oils related to evaporation was within range of 3.2–7.3% (w/w) at 27 °C. The SEM images of the black pepper confirmed different operation manners of mechanism between extractions using the solvents and heating process. The lowest MIC for both essential oils from conventional hidrodistillation and microwave-assisted hidrodistillation against two bacteria including E. coli and B. subtilis were found to be 137 µg mL−1. The non-isothermal decomposition kinetics were investigated on the essential oil of microwave-assisted hydrodistillation extraction. The activation energies and pre-exponent factors of non-isothermal decomposition were found to be in range of 36.5–73.7 KJ mol−1 and 4.98 × 103–1.97 × 108 s−1, respectively, dependent on conversional fractions of the oil. The results revealed that chemical components, physicochemical properties and bioactivity of black pepper essential oils depended on the extraction techniques.  相似文献   
109.
    
High mobility group (HMG) proteins are the major architectural proteins. Among HMG proteins, High Mobility Group A (HMGA) is characterized by AT-hook (ATH) motifs, which have an affinity for AT-rich DNA. In this study, we characterized the plant HMGAs from the Poaceae family using in silico methods. The protein sequences for rice HMGAs were retrieved and the corresponding orthologs from grasses were extracted. The phylogenetic analysis identified three major evolutionary clades of grass HMGAs and their ATH motif analysis revealed that HMGAs from clade 1 and 2, except for clade 2 HMGAs, are devoid of high-affinity DNA-binding domain. The clade 2 HMGAs also displayed a highly conserved length of all the spacers and the length of the C-terminal tail following the last ATH. Moreover, the C-terminal tail in clade 2 HMGAs is smaller than HMGAs from any other clade. Unlike clade 2, other clades of Poaceae HMGAs displayed high variability in the length of spacers. Despite several differences among HMGAs of different clades in Poaceae, the H1/H5 domain was found to be highly conserved. This study has revealed the detailed analyses of Poaceae HMGAs and it will be useful for further investigation aiming at the determination of precise biological functions and molecular mechanisms of grass HMGAs.  相似文献   
110.
    
Filamins (FLN) are a family of actin-binding proteins involved in regulating the cytoskeleton and signaling phenomenon by developing a network with F-actin and FLN-binding partners. The FLN family comprises three conserved isoforms in mammals: FLNA, FLNB, and FLNC. FLNB is a multidomain monomer protein with domains containing an actin-binding N-terminal domain (ABD 1–242), encompassing two calponin-homology domains (assigned CH1 and CH2). Primary variants in FLNB mostly occur in the domain (CH2) and surrounding the hinge-1 region. The four autosomal dominant disorders that are associated with FLNB variants are Larsen syndrome, atelosteogenesis type I (AOI), atelosteogenesis type III (AOIII), and boomerang dysplasia (BD). Despite the intense clustering of FLNB variants contributing to the LS-AO-BD disorders, the genotype-phenotype correlation is still enigmatic. In silico prediction tools and molecular dynamics simulation (MDS) approaches have offered the potential for variant classification and pathogenicity predictions. We retrieved 285 FLNB missense variants from the UniProt, ClinVar, and HGMD databases in the current study. Of these, five and 39 variants were located in the CH1 and CH2 domains, respectively. These variants were subjected to various pathogenicity and stability prediction tools, evolutionary and conservation analyses, and biophysical and physicochemical properties analyses. Molecular dynamics simulation (MDS) was performed on the three candidate variants in the CH2 domain (W148R, F161C, and L171R) that were predicted to be the most pathogenic. The MDS analysis results showed that these three variants are highly compact compared to the native protein, suggesting that they could affect the protein on the structural and functional levels. The computational approach demonstrates the differences between the FLNB mutants and the wild type in a structural and functional context. Our findings expand our knowledge on the genotype-phenotype correlation in FLNB-related LS-AO-BD disorders on the molecular level, which may pave the way for optimizing drug therapy by integrating precision medicine.  相似文献   
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