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        The inhibitory effect of pyrogallol on tyrosinase activity and structure: Integration study of inhibition kinetics with molecular dynamics simulation

        Xiong, Shang-Ling,Lim, Gyu Tae,Yin, Shang-Jun,Lee, Jinhyuk,Si, Yue-Xiu,Yang, Jun-Mo,Park, Yong-Doo,Qian, Guo-Ying Elsevier 2019 INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES Vol.121 No.-

        <P><B>Abstract</B></P> <P>Pyrogallol is naturally found in aquatic plant and has been proposed as a substrate of tyrosinase. In this study, we evaluated the dual effect of pyrogallol on tyrosinase as an inhibitor in the presence of L‑DOPA simultaneously via integrating methods of enzyme kinetics and computational molecular dynamics (MD) simulations. Pyrogallol was found to be a reversible inhibitor of tyrosinase in the presence of L‑DOPA and its induced mechanism was the parabolic non-competitive inhibition type (<I>IC</I> <SUB>50</SUB> = 0.772 ± 0.003 mM and <I>K</I> <SUB>i</SUB> = 0.529 ± 0.022 mM). Kinetic measurements by real-time interval assay showed that pyrogallol induced rapid inactivation process composing with slight activations at the low dose. Spectrofluorimetry studies showed that pyrogallol mainly induced regional changes in the active site of tyrosinase accompanying with hydrophobic disruption at high dose. The computational MD simulations further revealed that pyrogallol could interact with several residues near the tyrosinase active site pocket such as HIS61, HIS85, HIS259, ASN260, HIS263, VAL283, and ALA296. Our study provides insight into the mechanism by which hydroxyl group composing pyrogallol inhibit tyrosinase and pyrogallol is a potential natural anti-pigmentation agent.</P>

      • KCI등재

        Characteristics of registered studies for Coronavirus disease 2019 (COVID-19): a systematic review

        Ming Yang,Ya-xi Shang,Zi-yu Tian,Min Xiong,Chun-li Lu,Jiang Yue,Zhang Yao,Zhang Ying-ying,Jin Xin-yan,Jin Qiu-bai,Zhang Ying-ying,Willcox Merlin L.,Liu Jian-ping 한국한의학연구원 2020 Integrative Medicine Research Vol.9 No.3

        Background: The World Health Organization characterized the Coronavirus disease 2019 (COVID-19) as a pandemic on March 11th. Many clinical trials on COVID-19 have been registered, and we aim to review the study characteristics and provide guidance for future trials to avoid duplicated effort. Methods: Studies on COVID-19 registered before March 3rd, 2020 on eight registry platforms worldwide were searched and the data of design, participants, interventions, and outcomes were extracted and analyzed. Results: Three hundred and ninety-three studies were identified and 380 (96.7%) were from mainland China, while 3 in Japan, 3 in France, 2 in the US, and 3 were international collaborative studies. Two hundred and sixty-six (67.7%) aimed at therapeutic effect, others were for prevention, diagnosis, prognosis, etc. Two hundred and two studies (51.4%) were randomized controlled trials. Two third of therapeutic studies tested Western medicines including antiviral drugs (17.7%), stem cell and cord blood therapy (10.2%), chloroquine and derivatives (8.3%), 16 (6.0%) on Chinese medicines, and 73 (27.4%) on integrated therapy of Western and Chinese medicines. Thirty-one studies among 266 therapeutic studies (11.7%) used mortality as primary outcome, while the most designed secondary outcomes were symptoms and signs (47.0%). Half of the studies (45.5%) had not started recruiting till March 3rd. Conclusion: Inappropriate outcome setting, delayed recruitment and insufficient numbers of new cases in China implied many studies may fail to complete. Strategies and protocols of the studies with robust and rapid data sharing are warranted for emergency public health events, helping the timely evidence-based decision-making.

      • KCI등재

        Achieving Improved/Reversed Tension–Compression Asymmetry by Tailoring Extrusion Processing for Mg–Sn(–Y) Alloy

        Ying Zeng,Xunfei Xiong,Xiaoying Qian,Dabiao Xia,Xin Shang,Bin Jiang,Dongdi Yin 대한금속·재료학회 2023 METALS AND MATERIALS International Vol.29 No.7

        Significant tension-compression (T–C) yield asymmetry in common wrought Mg alloys hinders their widespread applications. A double extrusion process with variable speed and partially substituted yttrium (Y) (2 wt%) for Sn was proposed to improvethe T–C asymmetry of Mg–2.5Sn (wt%) alloy, and then to explore the critical grain size parameter for T–C symmetry. Theresult showed that the individual double extrusion or partial substitution of Sn by Y slightly refined the grains of Mg–2.5Snalloy (from ~ 42.5 μm to 35.5 μm and 31.2 μm, respectively), along with the improved T–C asymmetry (CYS/TYS) from0.44 to 0.51 and 0.75, respectively. When combining the above two factors, the double-extruded Mg–Sn–Y alloys obtainedfine grains with ~ 8.8 μm and gained a T–C yield symmetry (CYS/TYS = 1.01). By tailoring the extrusion speed from theprevious 1.2 mm/s to 2 mm/s, the grain size of double-extruded Mg–Sn–Y further deduced to ~ 5.6 μm and turned to be areversed T–C asymmetry (CYS/TYS) of 1.37. The refined grain size combined with weakened texture led to a decreasedactivation or even inhibition of tension twinning and increased activation of non-basal slip, which might be the main reasonfor the improved or even reversed T–C asymmetry in double-extruded Mg–0.5Sn–2Y.

      • SCIESCOPUSKCI등재

        Somatic Cell Nuclear Transfer of Oocytes Aspirated from Postovulatory Ovarian Follicles of Superovulated Rabbits

        Shang, Jiang-Hua,Xu, Ru-Xiang,Jiang, Xiao-Dan,Zou, Yu-Xi,Qin, Ling-Sha,Cai, Ying-Qian,Yang, Zhi-Jun,Zheng, Xing,Cui, Sheng Asian Australasian Association of Animal Productio 2007 Animal Bioscience Vol.20 No.9

        The aim of this study was to evaluate if oocytes, aspirated from postovulatory ovarian follicles of superovulated rabbits 14 h post-hCG administration, could be efficiently used as ooplasm recipients for somatic cell nuclear transfer (SCNT). Within a common SCNT protocol, a comparison between oocytes recovered by direct aspiration (aspirated) from available ovarian follicles and oocytes flushed out from oviducts (flushed) was carried out. The results showed that maturation and enucleation rates of aspirated oocytes were 70.7% and 69.2%, significantly lower than 95.3% (p<0.01) and 83.6% (p<0.05), respectively, from flushed oocytes. However, following enucleation of matured oocytes as ooplasm recipients for SCNT, no difference was recorded in fusion and cleavage rates, as well as blastocyst development from cleaved embryos or hatching of blastocysts between aspirated and flushed groups. Additionally, some matured aspirated and flushed oocytes were also used for immediate parthenogenetic activation and the resulting embryo development was not significantly different. Results from this study show the following: i) the majority of oocytes aspirated from postovulatory ovarian follicles of superovulated rabbits 14 h post-hCG administration are matured and can be used directly as ooplasm recipients for SCNT; ii) the reconstructed embryos derived from these oocytes have similar in vitro developmental ability to those flushed from the oviducts.

      • KCI등재

        Application of Jasmonic Acid Followed by Salicylic Acid Inhibits Cucumber mosaic virus Replication

        Ying Luo,Jing Shang,Pingping Zhao,Dehui Xi,Shu Yuan,Honghui Lin 한국식물병리학회 2011 Plant Pathology Journal Vol.27 No.1

        Systemic acquired resistance is a form of inducible resistance that is triggered in systemic healthy tissues of local-infected plants. Several candidate signaling molecules emerged in the past two years, including the methylated derivatives of well-known defense hormones salicylic acid (SA) and jasmonic acid (JA). In our present study, the symptom on Cucumber mosaic virus (CMV) infected Arabidopsis leaves in 0.1 mM SA or 0.06 mM JA pre-treated plants was lighter (less reactive oxygen species accumulation and less oxidative damages)than that of the control group. JA followed by SA (JA→SA) had the highest inhibitory efficiency to CMV replication, higher than JA and SA simultaneous co-pretreatment (JA+SA), and higher than a JA or a SA single pretreatment. The crosstalk between the two hormones was further investigated at the transcriptional levels of pathogenesis-related genes. The time-course measurement showed JA might play a more important role in the interaction between JA and SA.

      • KCI등재

        The Simulation Study of the Plasmonic Coupling Effect for the Ag Nanoparticle-nanowire Structure

        Ying-jie Wang,Wei Cai,Mu Yang,Zheng-liang Liu,Guang-yi Shang 한국물리학회 2015 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.66 No.2

        This paper presents a simulation study of the photon-to-plasmon coupling effect for the silver (Ag)nanoparticle-nanowire structure. The calculated results show that the in-coupling light efficiencydepends on many factors, involving the gap between the nanoparticle and the nanowire, the sizeof the nanoparticle, the wavelength of the incident light and the dielectric environment. Undercertain conditions, the in-coupling light efficiency of such a structure can be increased as comparedwith that of a single nanowire, suggesting that this nanoparticle-nanowire system can be used asan interesting structure for subwavelength waveguides, optical sensors and many other applicationsin the field of nanophotonics technology.

      • SCIESCOPUSKCI등재

        New hydroperoxylated and 20,24-epoxylated dammarane triterpenes from the rot roots of Panax notoginseng

        Shang, Jia-Huan,Sun, Wen-Jie,Zhu, Hong-Tao,Wang, Dong,Yang, Chong-Ren,Zhang, Ying-Jun The Korean Society of Ginseng 2020 Journal of Ginseng Research Vol.44 No.3

        Background: Root rot is a serious destructive disease of Panax notoginseng, a famous cultivated araliaceous herb called Sanqi or Tianqi in Southwest China. Methods: The chemical substances of Sanqi rot roots were explored by chromatographic techniques. MS, 1D/2D-NMR, and single crystal X-ray diffraction were applied to determine the structures. Murine macrophage RAW264.7 and five human cancer cell lines were used separately for evaluating the antiinflammatory and cytotoxic activities. Results and Conclusion: Thirty dammarane-type triterpenes and saponins were isolated from the rot roots of P. notoginseng. Among them, seven triterpenes, namely, 20(S)-dammar-25-ene-24(S)-hydroperoxyl-3β,6α,12β,20-tetrol (1), 20(S)-dammar-3-oxo-23-ene-25-hydroperoxyl-6α,12β,20-triol (2), 20(S)-dammar-12-oxo-23-ene-25-hydroperoxyl-3β,6α,20-triol (3), 20(S)-dammar-3-oxo-23-ene-25-hydroperoxyl-12β,20-diol (4), 20(S),24(R)-epoxy-3,4-seco-dammar-25-hydroxy-12-one-3-oic acid (5), 20(S),24(R)-epoxy-3,4-seco-dammar-25-hydroxy-12-one-3-oic acid methyl ester (6), and 6α-hydroxy-22,23,24,25,26,27-hexanordammar-3,12,20-trione (7), are new compounds. In addition, 12 known ones (12-16 and 19-25) were reported in Sanqi for the first time. The new Compound 1 showed comparable antiinflammatory activity on inhibition of NO production to the positive control, whereas the known compounds 9, 12, 13, and 16 displayed moderate cytotoxicities against five human cancer cell lines. The results will provide scientific basis for understanding the chemical constituents of Sanqi rot roots and new candidates for searching antiinflammatory and antitumor agents.

      • SCIESCOPUSKCI등재
      • Trifluoroethanol-induced changes in activity and conformation of manganese-containing superoxide dismutase.

        Yin, Shang-Jun,L?, Zhi-Rong,Park, Daeui,Chung, Hae Young,Yang, Jun-Mo,Zhou, Hai-Meng,Qian, Guo-Ying,Park, Yong-Doo Humana Press 2012 Applied biochemistry and biotechnology Vol.166 No.2

        <P>Superoxide dismutase (SOD, EC 1.15.1.1) plays an important role in antioxidant defense in organisms exposed to oxygen. However, there is a lack of research into the regulation of SOD activity and structural changes during folding, especially for SOD originating from extremophiles. We studied the inhibitory effects of trifluoroethanol (TFE) on the activity and conformation of manganese-containing SOD (Mn-SOD) from Thermus thermophilus. TFE decreased the degree of secondary structure of Mn-SOD, which directly resulted in enzyme inactivation and disrupted the tertiary structure of Mn-SOD. The kinetic studies showed that TFE-induced inactivation of Mn-SOD is a first-order reaction and that the regional Mn-contained active site is very stable compared to the overall structure. We further simulated the docking between Mn-SOD and TFE (binding energy for Dock 6.3, -9.68 kcal/mol) and predicted that the LEU9, TYR13, and HIS29 residues outside of the active site interact with TFE. Our results provide insight into the inactivation of Mn-SOD during unfolding in the presence of TFE and allow us to describe ligand binding via inhibition kinetics combined with computational predictions.</P>

      • High-mobility low-bandgap conjugated copolymers based on indacenodithiophene and thiadiazolo[3,4-<i>c</i>]pyridine units for thin film transistor and photovoltaic applications

        Sun, Ying,Chien, Shang-Chieh,Yip, Hin-Lap,Zhang, Yong,Chen, Kung-Shih,Zeigler, David F.,Chen, Fang-Chung,Lin, Baoping,Jen, Alex K.-Y. Royal Society of Chemistry 2011 Journal of materials chemistry Vol.21 No.35

        <P>Two new semiconducting polymers based on indacenodithiophene and thiadiazolo[3,4-<I>c</I>]pyridine units were synthesized <I>via</I> Stille coupling polymerization. The polymers, PIDTPyT and PIDTDTPyT, exhibited main absorption bands in the range of 550–800 nm while their absorption maxima were located at around 700 nm in films. With two additional thiophene spacers, PIDTDTPyT showed a broader absorption band but a 20 nm blue-shifted maximum peak compared to that of PIDTPyT. Both of the polymers possess low bandgaps (∼1.6 eV) and deep energy levels for both the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). Organic field-effect transistors (OFETs) device measurements indicate that PIDTPyT and PIDTDTPyT have high hole carrier mobilities of 0.066 and 0.045 cm<SUP>2</SUP> V<SUP>−1</SUP> s<SUP>−1</SUP>, respectively, with the on/off ratio on the order of 10<SUP>6</SUP>. Bulk heterojunction photovoltaic devices consisting of the copolymers and PC<SUB>71</SUB>BM gave power conversion efficiencies (PCE) as high as 3.91% with broadband photo-response in the range of 300–800 nm. The relationships between the photovoltaic performance and film morphology, energy levels, hole mobilities are discussed.</P> <P>Graphic Abstract</P><P>Low bandgap regiorandom polymers based on indacenodithiophene and thiadiazolo[3,4-<I>c</I>]pyridine units showed excellent OFET hole mobilities and promising photovoltaic device performance as high as 3.91%. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=c1jm11564b'> </P>

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