Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution

Molecular property depends on the property, the number of the elements, and the interaction between elements(such as chemical bonds). Based on the above-mentioned idea, two methods to estimate the isobaric heat capacity of liquids organic compounds were developed. Ten elements groups and 32 chemical bond groups were defined by considering the structure of organic compounds. The group contribution values and correlation parameters were regressed by the ridge regression method with the experiment data of 1137 compounds. The heat capacity can be calculated by summating the contributions of the elements and chemical bond groups. The two methods were compared with existing group contribution methods, such as Chickos, Zabransky-Ruzicka, and Zdenka Kolska. The results show that those new estimation methods' overall average relative deviations were 5.81% and 5.71%, which were lower than the other three methods. Those methods were more straightforward in compound splitting.Those new methods can be used to estimate the liquid heat capacity of silicon-containing compounds,which the other three methods cannot estimate. The new methods are more accessible, broader, and more accurate. Therefore, this research has important scientific significance and vast application prospects.

In vivo anti-aging properties on fat diet-induced high fat Drosophila melanogaster of n-butanol extract from Paecilomyces hepiali

The purpose of this study was to explore the potential of the development and application of Paecilomyces hepiali,a fungus with edible and medicinal value,as a foodborne antioxidant and anti-aging agent.Its n-butanol extract(PHE)from rice cultures was selected for anti-aging experiment because of significant free radical scavenging activity in vitro.In vivo,PHE could significantly prolong the mean lifespan,50%survival days,and the maximum lifespan of Drosophila on a high-fat diet.It is amazing that the mean lifespan increased from 19.1 days to 32.9 days,50%survival days increased from 15.7 days to 34.3 days,and the maximum lifespan extended from 44.7 days to 52.7 days,when the high-fat female Drosophila model was fed with 10μg/mL PHE.Further research showed that PHE reduced the accumulation of peroxide products and increased the activity of antioxidant enzymes.Then,through antioxidant activity tracking,dimerumic acid(compound 1,the IC_(50) value of 3.4μg/mL on DPPH free radicals scavenging activity),4,5-dihydroxy-3-methoxypentanoic acid(compound 2,new compound),and thymidine(compound 3)were isolated from PHE.It is worth mentioning that dimerumic acid,the major antioxidant compound of PHE(content up to 3%),was discovered in P.hepiali for the first time.It was concluded that PHE showed excellent anti-aging activity at a very low concentration on fat diet-induced high fat Drosophila melanogaster,and dimerumic acid may be its main material basis.These results indicated that PHE had the potential to be developed as antioxidant and anti-aging agent in the healthcare industry.

Effects of Reheating Duration on the Microstructures and Tensile Properties of Thixoforged In Situ Mg_2Si_p/AM60B Composites

The influences of reheating duration on microstructures and tensile properties of thixoforged in situ Mg2Sip/ AM60B composites have been investigated. The results indicate that the reheating time affects the volume fraction, composition and distribution of the liquid phase, the evolution of the liquid pools within the primary particles, and the morphology and distribution of the Mg2Si particles of the semisolid feedstock. These changes then affect the subsequent solidification behavior and deformation mechanism during thixoforging, which are responsible for the resulting micro- structure and tensile properties. Mg2Si particles play a strengthening role for the matrix through the load transfer mechanism. The appropriate reheating time is 60 min at 600 ℃ when the mold preheating temperature is at 300 ℃. The ultimate tensile strength and elongation of the resulting composite are up to 209 MPa and 11.9%, respectively.

Shenmai injection enhances cisplatin-induced apoptosis through regulation of Mfn2-dependent mitochondrial dynamics in lung adenocarcinoma A549/DDP cells

Aim:Chemoresistance is the biggest obstacle in cancer treatment.Our previous study demonstrated that Shenmai injection(SMI),a Chinese herbal medicine,enhanced the antitumor effect of cisplatin via glucose metabolism reprogramming.This study aimed to further determine whether the SMI sensitizes the non-small cell lung cancer(NSCLC)cells to cisplatin through regulation mitochondrial dynamics.Methods:The Kaplan-Meier Plotter database was used to investigate the relationship between mRNA expression of mitofusin-2(Mfn2)and the survival analysis of NSCLC patients.The protein expression of Mfn2 in a lung adenocarcinoma tissue chip was detected by immunohistochemistry staining.The expression of Mfn2 and ATAD3A were compared between cisplatin-sensitive A549 and cisplatin-resistant A549/DDP cells.Additionally,A549/DDP cells were co-treated with cisplatin and SMI to detect mitochondrial morphology by fluorescent staining,apoptosis-related protein expression with Western blotting,and mitochondrial membrane potential(ΔΨm)with flow cytometry analysis.Results:The mean survival time of the Mfn2^(low) group was significantly lower than that of the Mfn2^(high) group by Kaplan-Meier Plotter database analysis,and the Mfn2 protein expression level was lower in cancer tissues than in adjacent tissues.The combination of SMI and cisplatin induced dynamic changes in A549/DDP cells,with increased mitochondrial fusion followed by upregulation of Mfn2 and downregulation of ATAD3A and reduced mitochondrial mass and ΔΨm.Moreover,SMI significantly enhanced cisplatin-induced A549/DDP apoptosis,upregulated Bax and the active subunit of caspase-3,and downregulated Bcl-2 expression,as shown via Hoechst staining and flow cytometry analysis.Conclusion:Our findings suggest SMI enhances cisplatin-induced apoptosis through regulation of Mfn2-dependent mitochondrial dynamics in cisplatin-resistant lung adenocarcinoma cells.