Inhibition of α-glucosidase by 2-thiobarbituric acid: Molecular dynamics simulation integrating parabolic noncompetitive inhibition kinetics

Qin, Xiu-Yuan,Lee, Jinhyuk,Zheng, Li,Yang, Jun-Mo,Gong, Yan,Park, Yong-Doo Elsevier 2018 Process biochemistry Vol.65 No.-

<P><B>Abstract</B></P> <P>The phenomenon of α-glucosidase inhibition has attracted the attention of researchers due to its association with type 2 diabetes treatment in humans. In this study, we found that 2-thiobarbituric acid (TBA) induces complex inhibition of α-glucosidase using kinetics tests and molecular dynamics (MD) simulations. Computational MD and docking simulations demonstrate that TBA interacts with three residues on active sites of α-glucosidase such as Met69, Arg212, and His348. These biochemical tests indicate that TBA reversibly inhibits α-glucosidase in a parabolic noncompetitive manner (<I>IC</I> <SUB>50</SUB> =17.13±1.14mM; <I>K</I> <SUB>i</SUB> =13.25±0.56mM) and that this inhibition is accompanied by a biphasic kinetic process. The tertiary conformational changes were not synchronized with TBA inhibition but we observed hydrophobic disruption after inactivation at higher concentrations of TBA. Our results provide insight into the functional roles of residues located at the active sites of α-glucosidase, and we suggest that compounds similar to TBA (heterocyclic compounds) targeting the key residues of active sites are potential α-glucosidase inhibitors.</P> <P><B>Highlights</B></P> <P> <UL> <LI> 2-Thiobarbituric acid (TBA) induces complex inhibition of α-glucosidase. </LI> <LI> Computational MD simulations demonstrate that TBA interacts with Met69, Arg212, and His348. </LI> <LI> TBA reversibly inhibits α-glucosidase in a parabolic noncompetitive manner (<I>IC</I> <SUB>50</SUB> =17.13±1.14mM; <I>K</I> <SUB>i</SUB> =13.25±0.56mM). </LI> <LI> The high dose of TBA induces hydrophobic disruption after inactivation. </LI> <LI> Heterocyclic compounds targeting the key residues of active sites are potential α-glucosidase inhibitors. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

A novel inverse opal zirconia pigment with controllable color saturation

Li-li Wang,Xin-xin Liu,Xiao-peng Li,Xiu-feng Wang,Li-na Feng,Xu-ri Hou 한양대학교 세라믹연구소 2021 Journal of Ceramic Processing Research Vol.22 No.2

The inverse opal zirconia pigments were prepared by template method using polystyrene microspheres with the size of 340 ± 10nm as raw material and the in situ carbon was formed to achieve controllable and adjustable color saturation by sintering atvarious temperatures in nitrogen atmosphere with various nitrogen flow rates. The effects of nitrogen atmosphere, nitrogenflow rate and sintering temperature on the morphology, phase and color saturation of the inverse opal zirconia wereinvestigated. The results showed that when the inverse opal zirconia was sintered at 450 oC to 600 oC in nitrogen atmosphere,the green color saturation could be adjusted by changing the nitrogen flow rate from 0.2 L/min to 0.8 L/min. When thenitrogen rate was 0.8L/min, the green color saturation of the inverse opal zirconia could be adjusted by changing the sinteringtemperature from 450 oC to 600 oC. It indicated that the more the amount of in-situ carbon was generated, the more stray lightwas absorbed and the higher green color saturation of the inverse opal zirconia could be obtained. Further increasing thesintering temperature to 700 oC would destroy the inverse opal morphology of zirconia and affect the carbonization of theorganic component.

Knockout of the EgriBLOS2 gene results in the transparent integuments of Ectropis grisescens larvae

Li Jia-Li,Zhuang Xiang-Lin,Yuan Ting-Ting,Cai Xiao-Ming,Luo Zong-Xiu,Bian Lei,Chen Zong-Mao,Li Zhao-Qun,Liu Nai-Yong 한국응용곤충학회 2022 Journal of Asia-Pacific Entomology Vol.25 No.1

The body colors of insects have evolved specialized roles in body protection, signaling and physiology. In some case, the larvae can camouflage their body colors to adapt the habitants and protect themselves. However, the genetic and molecular basis on larval body colors of the tea geometrid, Ectropis grisescens, remains poorly known. Here, we reported an effect of the lysosome-related organelles complex-1, subunit 2 (EgriBLOS2) gene knockout on larval integuments of E. grisescens, by using a clustered regularly interspaced short palindromic repeat (CRISPR)/CRISPR-associated protein 9 (Cas9) system. Combining transcriptomic data and PCR approaches, we first identified the EgriBLOS2 gene from E. grisescens, which encoded 137 amino acids and comprised 3 introns. In the phylogenetic analysis, EgriBLOS2 clustered in the Lepidoptera clade with high conservation to members in other lepidopteran species. Developmental expression profiles revealed that EgriBLOS2 was constantly tran scribed at each stage, in which its expression was significantly lower in 2nd instar larvae than that of other instars. After injecting EgriBLOS2-specific guide RNA and Cas9 messenger RNA into eggs, 70% of larvae showed the translucent integuments in G0 generation, with an emphasis on black splayed patterns in the 2nd and 8th segments of abdomens. However, some typical characteristics of larvae were not obviously changed in mutant instars, such as ocelli, mouthparts and other appendants. This study has unraveled the roles of EgriBLOS2 in the formation of larval integument colors, and provides an alternative strategy for pest management based on the colors in this species.

Determination of Protein, Fat, Starch, and Amino Acids in Foxtail Millet [Setaria italica (L.) Beauv.] by Fourier Transform Near-Infrared Reflectance Spectroscopy

Xiu-Shi Yang,Li-Li Wang,Xian-Rong Zhou,Shaomin Shuang,Zhi-Hua Zhu,Nan Li,Yan Li,Fang Liu,San-Cai Liu,Ping Lu,Guixing Ren,Chuan Dong 한국식품과학회 2013 Food Science and Biotechnology Vol.22 No.6

Quantitative detection of protein, fat, starch,and amino acids in foxtail millet using Fourier transformnear-infrared spectroscopy (NIRS) was investigated. Foxtail millet samples (n=259) were analyzed using NIRS. Spectral data were linearized with data from chemicalanalyses. Calibration models were established using apartial least-squares (PLS) algorithm with cross-validation. Optimized models were tested using external validation setsamples with coefficients of determination in the externalvalidation (R2val) of >0.90. Residual predictive deviation(RPD) values were nearly equal to or >2.5 for crudeprotein, alanine, aspartic acid, glutamic acid, isoleucine,leucine, and serine. However, for glycine, histidine,phenylalanine, proline, threonine, tyrosine, and valine, theR2val values were >0.83 and RPD values were nearly equalto or >2.0. For crude fat, total starch, arginine, and lysine,the R2val values were >0.70 and RPD values were >1.5. NIRS is a rapid determination tool for foxtail milletbreeding, and for quality control.

Correlation between fat accumulation and fecal microbiota in crossbred pigs

Li Xin,Li Mengyu,Han Jinyi,Liu Chuang,Han Xuelei,Wang Kejun,Qiao Ruimin,Li Xiu-Ling,Li Xin-Jian 한국미생물학회 2022 The journal of microbiology Vol.60 No.11

Backfat thickness (BF) is an important indicator of fat deposition capacity and lean meat rate in pigs and is very important in porcine genetics and breeding. Intestinal microbiota plays a key role in nutrient digestion and utilization with a profound impact on fat deposition of livestock animals. To investigate the relationship between the pig gut microbiome and BF, 20 low-BF (L-BF) and 20 high-BF (H-BF) pigs were selected as two groups from Yunong Black pigs in the present study. Fecal samples from pigs were analyzed for microbial diversity, composition, and predicted functionality using 16S rRNA gene sequencing. The results showed that there were significant differences in microbial β diversity between the two groups. LEfSe analysis revealed a number of bacterial features being differentially enriched in either L-BF or H-BF pigs. Spearman correlation analysis identified the abundance of Oscillospira, Peptococcus, and Bulleidia were significantly positive correlations with BF (P < 0.05), while Sutterella and Bifidobacterium were significantly negatively correlated with BF (P < 0.05). Importantly, the bacteria significantly positively correlated with BF mainly belong to Clostridium, which can ferment host-indigestible plant polysaccharides into shortchain fatty acid (SCFA) and promote fat synthesis and deposition. Predictive functional analysis indicated that the pathway abundance of cell motility and glycan biosynthesis were significantly widespread in the microbiota of the H-BF group. The results of this study will be useful for the development of microbial biomarkers for predicting and improving porcine BF, as well as for the investigation of targets for dietary strategies.

Properties of an AlGaN/AlN Distributed-Bragg-reflector Structure

Li-Li Zhang,Zhan-Hui Liu,Xiao-Gu Huang,Qing-Fang Li,Rong Zhang,Zi-Li Xie,Xiang-Qian Xiu 한국물리학회 2014 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.65 No.7

An AlGaN/AlN distributed-Bragg-reflector (DBR) structure with a high Al content was grown byusing plasma-assisted molecular beam epitaxy (PA-MBE). The properties of the sample were characterizedby using the transmission electron microscopy, high-resolution X-ray diffraction, atomicforce microscopy, and reflectivity spectrum measurements. The reciprocal space mapping analysisindicated that the strain in the AlGaN layers was partially relaxed. The morphology of the DBRexhibited a surface covered by grains (average size of about 130 nm), and the surface roughness wasabout 2 nm. The spectral measurements showed that the DBR structure presented a peak reflectivityof 68.8% at the center wavelength of 247 nm, which indicated that this DBR structure couldwork in the deep solar-blind UV region with acceptable reflectivity. However, the optical propertiesof the DBR structure were deteriorated by the fluctuation of the Al composition, non-uniformity ofthe layer thickness, the blurry, rough interface in the DBR structure, and so on.

Clinical Risk Factor Analysis for Breast Cancer: 568,000 Subjects Undergoing Breast Cancer Screening in Beijing, 2009

Pan, Lei,Han, Li-Li,Tao, Li-Xin,Zhou, Tao,Li, Xia,Gao, Qi,Wu, Li-Juan,Luo, Yan-Xia,Ding, Hui,Guo, Xiu-Hua Asian Pacific Journal of Cancer Prevention 2013 Asian Pacific journal of cancer prevention Vol.14 No.9

Objectives: Although there are many reports about the risk of breast cancer, few have reported clinical factors including history of breast-related or other diseases that affect the prevalence of breast cancer. This study explores these risk factors for breast cancer cases reported in Beijing in 2009. Materials and Methods: Data were derived from a Beijing breast cancer screening performed in 2009, of 568,000 women, from 16 districts of Beijing, all aged between 40 and 60 years. In this study, multilevel statistical modeling was used to identify clinical factors that affect the prevalence of breast cancer and to provide more reliable evidence for clinical diagnostics by using screening data. Results and Conclusion: Those women who had organ transplants, compared with those with none, were associated with breast cancer with an odds ratio (OR)=65.352 [95% confidence interval (CI): 8.488-503.165] and those with solid breast mass compared with none had OR=1.384 (95% CI: 1.022-1.873). Malignant tendency was strongly associated with increased risk of breast cancer, OR=207.999(95% CI: 151.950-284.721). The risk of breast cancer increased with age, $OR_1$=2.759 (95% CI: 1.837-4.144, 56-60 vs. 40-45), $OR_2$=2.047 (95% CI: 1.394-3.077, 51-55 vs. 40-45), $OR_3$=1.668 (95% CI: 1.145-2.431). Normal results of B ultrasonic examination show a lower risk among participants, OR= 0.136 (95% CI: 0.085-0.218). Those women with ductal papilloma compared with none were associated with breast cancer, OR=6.524 (95% CI: 1.871-22.746). Therefore, this study suggests that clinical doctors should pay attention to these high-risk factors.

H∞ Control with Multiple Packets Compensation Scheme for T-S Fuzzy Systems Subject to Cyber Attacks

Xiu-Ying Li,Bao-Jun Wang,Lei Zhang,Xiang-Hua Ma 제어·로봇·시스템학회 2021 International Journal of Control, Automation, and Vol.19 No.1

This paper is concerned with the H∞ controller design problem for a class of network-based nonlinearsystems (NCSs) represented by the Takagi-Sugeno (T-S) fuzzy model. A multiple packets compensation schemeis developed which uses all the data stored in a finite memory buffer to compensate the negative effects of packetdropouts. This model contains the medium access constraint problem as a special case. The time-multiplexingmechanism may be used for such a case so that there are multiple packets arrive at the receiver side. By taking thestochastic cyber attacks into account, the desired controller in terms of linear matrix inequalities (LMIs) is designedby using fuzzy-rule-dependent Lyapunov method. The sufficient condition is obtained which makes the closed-loopsystem be asymptotically mean-square stable and achieve the prescribed H∞ disturbance-rejection-attenuation level. Finally, a mass-spring-damping system is given to show the effectiveness of the algorithm.

A Novel 3D Polypseudo-rotaxane Metal-organic Framework Based on a Flexible Bis-pyridyl-bis-amide Ligand

Xiu-Li Wang,Na Han, Hong-Yan Lin,Chuang Xu,Jian Luan,Guo-Cheng Liu 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.11

A novel 3D compound {[Cu(L)(H2O)4][Cu2(SIP)2(L)2]}·2H2O (1) (L = N,N-bis(4-pyridinecarboxamide)-1,4- butane, SIP = 5-sulfoisophthalate) is hydrothermally synthesized. X-ray diffraction analysis reveals that compound 1 is composed of 2D anionic [Cu2(SIP)2(L)2]n 2n− double-layers and discrete 1D cationic [CuL(H2O)4]n 2n+ polymeric chains, which represents a rare 3D polypseudo-rotaxane MOF from intercalation of 1D and 2D framework. In addition, the luminescent property and electrochemical behavior of compound 1 have been investigated.

The Numerical Simulation of Unsteady Flow in a Mixed flow Pump Guide Vane

Li, Yi-Bin,Li, Ren-Nian,Wang, Xiu-Yong Korean Society for Fluid machinery 2013 International journal of fluid machinery and syste Vol.6 No.4

In order to investigate the characteristics of unsteady flow in a mixed flow pump guide vane under the small flow conditions, several indicator points in a mixed flow pump guide vane was set, the three-dimensional unsteady turbulence numerical value of the mixed flow pump which is in the whole flow field will be calculated by means of the large eddy simulation (LES), sub-grid scale model and sliding mesh technology. The experimental results suggest that the large eddy simulation can estimate the positive slope characteristic of head & capacity curve. And the calculation results show that the pressure fluctuation coefficients of the middle section in guide vane inlet will decrease firstly and then increase. In guide vane outlet, the pressure fluctuation coefficients of section will be approximately axially symmetrical distribution. The pressure fluctuation minimum of section in guide vane inlet is above the middle location of the guide vane suction surface, and the pressure fluctuation minimum of section in which located the middle and outlet of guide vane. When it is under the small flow operating condition, the eddy scale of guide vane is larger, and the pressure fluctuation of the channel in guide vane being cyclical fluctuations obviously which leads to the area of eddy expanding to the whole channel from the suction side. The middle of the guide vane suction surface of the minimum amplitude pressure fluctuation to which the vortex core of eddy scale whose direction of fluid's rotation is the same to impeller in the guide vane adhere.