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- Sun, Haofan, et al.
(författare)
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Molecular Dynamic of Various DNA Sequences Binding of Dithienylethenest
- 2019
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Ingår i: Gaodeng xuéxiào huàxué xuébào. - : Higher Education Press. - 0251-0790. ; 40:6, s. 1229-1235
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Tidskriftsartikel (refereegranskat)abstract
- Binding modes between various DNA sequences and stereoisomeric rotamers of two dithienylethene derivatives (DTE1 and DTE2) representing photochromic switches were investigated in terms of molecular dynamics simulations and characterized by their binding energies. The result shows that minor groove binding (MiGB) is found to be the most robust binding mode between DNA and DTE (either DTE1 or DTE2). Due to steric hindrance, two DTE derivatives that are rotatable isomers exhibit distinct binding behaviors to DNA, and thus DNA has significant enantioselectivity for DTE derivatives. Moreover, the selectivity of the DTE derivative to the binding site of the DNA molecule is directly related to the base pair constitution, providing accurate theoretical guidance for precision medicine by chiral drugs based on this molecule.
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2. |
- Hong, Tao, et al.
(författare)
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Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(II) probe
- 2014
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Ingår i: RSC Advances. - : Royal Society of Chemistry (RSC). - 2046-2069. ; 4:12, s. 6133-6140
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Tidskriftsartikel (refereegranskat)abstract
- The acylation of 2,20-bipyrrole with pentafluorobenzoyl chloride in the presence of AlCl3 afforded six acylated products with rich alpha-, beta-, beta(1)-, alpha,alpha'-, alpha,beta(')-, and alpha,beta(1)'-substitution modes for 1-6, respectively. Then, the alpha,alpha'-diacylated compound 4 was used to synthesize a prodigiosin derivative 9, which provides an alternative method for the syntheses of prodigiosin derivatives. Crystal structures of 1, 4 and 9 show interesting supramolecular dimers formed by multiple hydrogen bonds, O...pi interactions, as well as pi... pi interactions. Interestingly, 9 shows fluorescence turn-on probing behavior towards Zn2+ both in DMF and in DMF-HEPES, with high sensitivity and selectivity. The detection limit for Zn2+ in DMF was calculated to be 1.1 x 10(-8) M.
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3. |
- Su, Yueling, et al.
(författare)
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High-efficiency organic solar cells processed from a halogen-free solvent system
- 2023
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Ingår i: Science in China Series B. - : SCIENCE PRESS. - 1674-7291 .- 1869-1870. ; 66:8, s. 2380-2388
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Tidskriftsartikel (refereegranskat)abstract
- The use of non-halogenated solvents for the green manufacture of high-efficiency organic solar cells (OSCs) is important for their future application. However, the power conversion efficiency (PCE) of the non-halogenated solvent processed OSCs is generally lower than their halogenated counterpart due to the poor film microstructure caused by the solubility issue. Herein, we propose a halogen-free solvent system to optimize film microstructure of the photovoltaic blend based on the polymer donor D18 and small-molecule acceptor (SMA) L8-BO towards high-efficiency OSCs. The solvent system is consisted of a main solvent carbon disulfide and an additive paraxylene, where the former ensures the good solution-processability and promotes the solution aggregation of L8-BO, and the latter can finely control the phase-separation process by selectively dissolving the SMA. This solvent combination robustly produces a high-quality active layer, i.e., the bicontinuous networks of donor and acceptor with nano-sized phase-separation and strong & pi;-& pi; stacking. With the effective charge generation, transport and collection, the resulting device from the non-halogenated solvent system shows a high PCE of 17.50%, which is comparable to that of the device prepared from the halogenated solvent chloroform (ca. 17.11%). This article proposes a new strategy for the green fabrication of high-efficiency OSCs to accelerate their industrialization.
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4. |
- Wei, Xiuyu, 1979, et al.
(författare)
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Corrosion Behavior of WC-Co-(Ni)-(Cr) Cemented Carbide in Neutral Solution
- 2020
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Ingår i: Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering. - 1002-185X. ; 49:1, s. 313-319
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Tidskriftsartikel (refereegranskat)abstract
- Three groups of WC-Co-(Ni)-(Cr) cemented carbides with different binder phase compositions were prepared by powder metallurgy using WC, Co, Ni and Cr3C2 powders as raw materials. The corrosion behavior of the three alloys in neutral solution was studied by polarization curve test and immersion experiment. The corrosion mechanism was discussed by means of scanning electron microscopy, energy spectrum analysis, X-ray photoelectron spectroscopy (XPS) and EBSD. The results show that in neutral solution the corrosion of WC-Co and WC-Co-Cr cemented carbides is mainly caused by the selective dissolution of Co and the corrosion products after immersion are mainly composed of Co(OH)2. The corrosion resistance of WC-Co cemented carbide in neutral solution can be improved by the addition of Cr, which may be related to the decrease in the content of hcp-Co in the binder phase by adding Cr. Adding Ni and Cr together can further improve the corrosion resistance of WC-Co cemented carbide in neutral solution. After immersion for 480 h in Na2SO4 solution, the WC-Co-Ni-Cr alloy sample is just corroded slightly.
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5. |
- Wei, Xiuyu, 1979, et al.
(författare)
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XPS and AES surface analysis of WC-Co-(Cr) cemented carbide after immersion in neutral solution
- 2020
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Ingår i: Surface and Interface Analysis. - : Wiley. - 1096-9918 .- 0142-2421. ; 52:12, s. 845-849
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Tidskriftsartikel (refereegranskat)abstract
- The binder phase Co in WC-Co cemented carbide is dissolved easily in corrosive media (even in neutral solution), which has limited its application in a wider range. In this paper, the influence of Cr on corrosion resistance of WC-Co immersed in neutral solution was studied, with a focus on the surface chemistry of the corrosion product. The results show that in neutral solution, the corrosion is mainly caused by the selective dissolution of Co and the dominant surface corrosion product after immersion is Co (OH)(2). The corrosion resistance of WC-Co cemented carbide can be improved by the addition of Cr. This can be explained by the formation of more protective chromium containing oxide on the binder phase of WC-Co-Cr alloy, leading to reduced corrosion rate.
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6. |
- Zhang, Yue, et al.
(författare)
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Association between anthropometric indicators of obesity and cardiovascular risk factors among adults in Shanghai, China
- 2019
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Ingår i: BMC Public Health. - : BMC. - 1471-2458. ; 19:1
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Tidskriftsartikel (refereegranskat)abstract
- Background: To determine the optimal cut-off values and evaluate the associations of body mass index (BMI), waist circumference (WC) and waist-height ratio (WHtR) with cardiovascular disease (CVD) risk factors. Methods: A large-scale cross-sectional survey was conducted among 35,256 adults aged 20-74 years in Shanghai between June 2016 and December 2017. Receiver operating characteristic (ROC) analyses were conducted to assess the optimal cut-off anthropometric indices of CVD risk factors including hypertension, diabetes, dyslipidemia and hyperuricemia. Multivariate Logistic regression models were preformed to evaluate the odds ratio of CVD risk factors. Results: The area under the curve (AUC) of WHtR was significantly greater than that of BMI or WC in the prediction of hypertension and diabetes, and AUCs were higher in women than men. The optimal cut-off values of WHtR were approximately 0.51 in both sexes, while the cut-off values of BMI and WC were higher for men compared with women. The optimal cutoff values of BMI and WC varied greatly across different age groups, but the difference in WHtR was relatively slight. Among women, the optimal threshold of anthropometric indices appeared to increase with age for hypertension and diabetes. The odds ratio between anthropometric indices and CVD risk factors were attenuated with age. WHtR had the greatest odds ratio for CVD risk factors among adults under 60 years old except for women with hypertension, while among 60-74 years, BMI yielded the greatest odds ratio in terms of all CVD outcomes except for women with diabetes. Conclusions: WHtR had the best performance for discriminating hypertension and diabetes and potentially be served as a standard screening tool in public health. The associations between three anthropometric indices and CVD risk factors differed by sex and decreased with age. These findings indicated a need to develop age- and gender-specific difference and make effective strategies for primary prevention of CVDs.
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7. |
- Zhang, Yue, et al.
(författare)
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Prevalence and the association of body mass index and other risk factors with prediabetes and type 2 diabetes among 50,867 adults in China and Sweden: A cross-sectional study
- 2019
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Ingår i: Diabetes Therapy. - : Springer Science and Business Media LLC. - 1869-6953 .- 1869-6961. ; 10:6, s. 2061-2077
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Tidskriftsartikel (refereegranskat)abstract
- Introduction Understanding socioeconomic differences for prediabetes and type 2 diabetes (T2DM) can offer guidance for the most effective development of both prevention and intervention programmes in different settings. This study aims to determine the prevalence and risk factors for prediabetes and T2DM and to explore the effect of high body mass index (BMI) on the probability of T2DM being present among adults in China and Sweden. Methods This study enrolled 25,356 adults (35-64 years old) from the Shanghai Survey in China and 25,511 adults (aged 40, 50, 60) from the Vasterbotten Intervention Programme in Sweden. Data on haemoglobin A1c, capillary fasting plasma glucose, 2-h plasma glucose and self-reported diagnoses of T2DM were used in the analysis. Multinomial logistic regression was used to examine the determinants of prediabetes and T2DM. The average predicted probabilities of T2DM developing or presenting were determined for the different ages and levels of BMI in each population. Results Chinese participants had a higher adjusted prevalence of T2DM (men 12.8% vs. 4.6%; women 10.6% vs. 3.1%) and prediabetes (men 12.4% vs. 12.2%; women 14.4% vs. 12.2%) than Swedish participants. Age, overweightedness/obesity, hypertension and a family history of diabetes were significant risk factors for prediabetes and T2DM. In both populations, the predicted probability of T2DM increased as the BMI increased in all age groups. At the same BMI level, Chinese participants were more likely to have T2DM compared to their Swedish counterparts. The average predicted probability of T2DM was less than 20% in nearly all age groups among Swedish women. Conclusions Chinese adults had the higher prevalence of prediabetes and T2DM and a higher probability of T2DM at the same BMI level compared with Swedish adults. These results indicate the importance of addressing the ongoing obesity epidemic as a matter of urgency in order to curb what has become an apparent diabetes epidemic in both countries.
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