Publications by authors named "Zhenzhen Xie"

47 Publications

In-vitro and in-vivo monitoring of gold(III) ions from intermediate metabolite of sodium aurothiomalate through water-soluble ruthenium (II) complex-based luminescent probe.

Bioorg Chem 2021 Feb 19;110:104749. Epub 2021 Feb 19.

Key Laboratory of Xinjiang Phytomedicine Resources of Ministry of Education, School of Pharmacy, Shihezi University, Shihezi 832002, China. Electronic address:

Real-time monitoring of drug metabolism in vivo is of great significance to drug development and toxicology research. The purpose of this study is to establish a rapid and visual in vivo detection method for the detection of an intermediate metabolite of the gold (I) drug. Gold (I) drugs such as sodium aurothiomalate (AuTM) have anti-inflammatory effects in the treatment of rheumatoid arthritis. Gold(III) ions (Au) are the intermediate metabolite of gold medicine, and they are also the leading factor of side effects in the treatment of patients. However, the rapid reduction of Au to Au by thiol proteins in organisms limits the in-depth study of metabolism of gold drugs in vivo. Here we describe a luminescence Au probe (RA) based on ruthenium (II) complex for detecting Au in vitro and in vivo. RA with large Stokes shift, good water solubility and biocompatibility was successfully applied to detect Au in living cells and vivo by luminescence imaging, and to trap the fluctuation of Au level produced by gold (I) medicine. More importantly, the luminescent probe was used to the detection of the intermediate metabolites of gold (I) drugs for the first time. Overall, this work offers a new detection tool/method for a deeper study of gold (I) drugs metabolite.
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http://dx.doi.org/10.1016/j.bioorg.2021.104749DOI Listing
February 2021

Effect of Thiol Molecular Structure on the Sensitivity of Gold Nanoparticle-Based Chemiresistors toward Carbonyl Compounds.

Sensors (Basel) 2020 Dec 8;20(24). Epub 2020 Dec 8.

Department of Chemistry, University of Louisville, Louisville, KY 40208, USA.

Increasing both the sensitivity and selectivity of thiol-functionalized gold nanoparticle chemiresistors remains a challenging issue in the quest to develop real-time gas sensors. The effects of thiol molecular structure on such sensor properties are not well understood. This study investigates the effects of steric as well as electronic effects in a panel of substituted thiol-urea compounds on the sensing properties of thiolate monolayer-protected gold nanoparticle chemiresistors. Three series of urea-substituted thiols with different peripheral end groups were synthesized for the study and used to prepare gold nanoparticle-based chemiresistors. The responses of the prepared sensors to trace volatile analytes were significantly affected by the urea functional motifs. The largest response for sensing acetone among the three series was observed for the thiol-urea sensor featuring a tert-butyl end group. Furthermore, the ligands fitted with N, N'-dialkyl urea moieties exhibit a much larger response to carbonyl analytes than the more acidic urea series containing N-alkoxy-N'-alkyl urea and N, N'-dialkoxy urea groups with the same peripheral end groups. The results show that the peripheral molecular structure of thiolate-coated gold nanoparticles plays a critical role in sensing target analytes.
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http://dx.doi.org/10.3390/s20247024DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7763667PMC
December 2020

Correction: Effectiveness of Mobile App-Assisted Self-Care Interventions for Improving Patient Outcomes in Type 2 Diabetes and/or Hypertension: Systematic Review and Meta-Analysis of Randomized Controlled Trials.

JMIR Mhealth Uhealth 2020 Aug 19;8(8):e23600. Epub 2020 Aug 19.

Department of Industrial and Manufacturing Systems Engineering, University of Hong Kong, Hong Kong, China (Hong Kong).

[This corrects the article DOI: 10.2196/15779.].
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http://dx.doi.org/10.2196/23600DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7468631PMC
August 2020

An examination of the socio-demographic correlates of patient adherence to self-management behaviors and the mediating roles of health attitudes and self-efficacy among patients with coexisting type 2 diabetes and hypertension.

BMC Public Health 2020 Aug 12;20(1):1227. Epub 2020 Aug 12.

Department of Systems Engineering and Engineering Management, City University of Hong Kong, Hong Kong, China.

Background: Patients with coexisting type 2 diabetes and hypertension generally exhibit poor adherence to self-management, which adversely affects their disease control. Therefore, identification of the factors related to patient adherence is warranted. In this study, we aimed to examine (i) the socio-demographic correlates of patient adherence to a set of self-management behaviors relevant to type 2 diabetes and hypertension, namely, medication therapy, diet therapy, exercise, tobacco and alcohol avoidance, stress reduction, and self-monitoring/self-care, and (ii) whether health attitudes and self-efficacy in performing self-management mediated the associations between socio-demographic characteristics and adherence.

Methods: We performed a secondary analysis of data collected in a randomized controlled trial. The sample comprised 148 patients with coexisting type 2 diabetes mellitus and hypertension. Data were collected by a questionnaire and analyzed using logistic regression.

Results: Female patients were found to be less likely to exercise regularly (odds ratio [OR] = 0.49, P = 0.03) and more likely to avoid tobacco and alcohol (OR = 9.87, P < 0.001) than male patients. Older patients were found to be more likely to adhere to diet therapy (OR = 2.21, P = 0.01) and self-monitoring/self-care (OR = 2.17, P = 0.02). Patients living with family or others (e.g., caregivers) were found to be more likely to exercise regularly (OR = 3.44, P = 0.02) and less likely to avoid tobacco and alcohol (OR = 0.10, P = 0.04) than those living alone. Patients with better perceived health status were found to be more likely to adhere to medication therapy (OR = 2.02, P = 0.03). Patients with longer diabetes duration (OR = 2.33, P = 0.01) were found to be more likely to adhere to self-monitoring/self-care. Self-efficacy was found to mediate the association between older age and better adherence to diet therapy, while no significant mediating effects were found for health attitudes.

Conclusions: Adherence to self-management was found to be associated with socio-demographic characteristics (sex, age, living status, perceived health status, and diabetes duration). Self-efficacy was an important mediator in some of these associations, suggesting that patient adherence may be improved by increasing patients' self-management efficacy, such as by patient empowerment, collaborative care, or enhanced patient-physician interactions.
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http://dx.doi.org/10.1186/s12889-020-09274-4DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7424981PMC
August 2020

Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.

Nat Commun 2020 05 29;11(1):2676. Epub 2020 May 29.

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, P. R. China.

Cytochrome P450 monooxygenases are versatile heme-thiolate enzymes that catalyze a wide range of reactions. Self-sufficient cytochrome P450 enzymes contain the redox partners in a single polypeptide chain. Here, we present the crystal structure of full-length CYP116B46, a self-sufficient P450. The continuous polypeptide chain comprises three functional domains, which align well with the direction of electrons traveling from FMN to the heme through the [2Fe-2S] cluster. FMN and the [2Fe-2S] cluster are positioned closely, which facilitates efficient electron shuttling. The edge-to-edge straight-line distance between the [2Fe-2S] cluster and heme is approx. 25.3 Å. The role of several residues located between the [2Fe-2S] cluster and heme in the catalytic reaction is probed in mutagenesis experiments. These findings not only provide insights into the intramolecular electron transfer of self-sufficient P450s, but are also of interest for biotechnological applications of self-sufficient P450s.
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http://dx.doi.org/10.1038/s41467-020-16500-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7260179PMC
May 2020

Effectiveness of Mobile App-Assisted Self-Care Interventions for Improving Patient Outcomes in Type 2 Diabetes and/or Hypertension: Systematic Review and Meta-Analysis of Randomized Controlled Trials.

JMIR Mhealth Uhealth 2020 08 4;8(8):e15779. Epub 2020 Aug 4.

Department of Industrial and Manufacturing Systems Engineering, University of Hong Kong, Hong Kong, Hong Kong.

Background: Mobile app-assisted self-care interventions are emerging promising tools to support self-care of patients with chronic diseases such as type 2 diabetes and hypertension. The effectiveness of such interventions requires further exploration for more supporting evidence.

Objective: A systematic review and meta-analysis of randomized controlled trials (RCTs) were conducted to examine the effectiveness of mobile app-assisted self-care interventions developed for type 2 diabetes and/or hypertension in improving patient outcomes.

Methods: We followed the Cochrane Collaboration guidelines and searched MEDLINE, Cochrane Library, EMBASE, and CINAHL Plus for relevant studies published between January 2007 and January 2019. Primary outcomes included changes in hemoglobin A (HbA) levels, systolic blood pressure (SBP), and diastolic blood pressure (DBP). Changes in other clinical-, behavioral-, knowledge-, and psychosocial-related outcomes were included as secondary outcomes. Primary outcomes and objective secondary outcomes that were reported in at least two trials were meta-analyzed; otherwise, a narrative synthesis was used for data analysis.

Results: A total of 27 trials were identified and analyzed. For primary outcomes, the use of mobile app-assisted self-care interventions was associated with significant reductions in HbA levels (standardized mean difference [SMD] -0.44, 95% CI -0.59 to -0.29; P<.001), SBP (SMD -0.17, 95% CI -0.31 to -0.03, P=.02), and DBP (SMD -0.17, 95% CI -0.30 to -0.03, P=.02). Subgroup analyses for primary outcomes showed that several intervention features were supportive of self-management, including blood glucose, blood pressure, and medication monitoring, communication with health care providers, automated feedback, personalized goal setting, reminders, education materials, and data visualization. In addition, 8 objective secondary outcomes were meta-analyzed, which showed that the interventions had significant lowering effects on fasting blood glucose levels and waist circumference. A total of 42 secondary outcomes were narratively synthesized, and mixed results were found.

Conclusions: Mobile app-assisted self-care interventions can be effective tools for managing blood glucose and blood pressure, likely because their use facilitates remote management of health issues and data, provision of personalized self-care recommendations, patient-care provider communication, and decision making. More studies are required to further determine which combinations of intervention features are most effective in improving the control of the diseases. Moreover, evidence regarding the effects of these interventions on the behavioral, knowledge, and psychosocial outcomes of patients is still scarce, which warrants further examination.
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http://dx.doi.org/10.2196/15779DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7435643PMC
August 2020

Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.

Biochem Biophys Res Commun 2020 06 16;527(3):799-804. Epub 2020 May 16.

School of Life Science, University of Science and Technology of China, Anhui, 230026, China; Industrial Enzymes National Engineering Laboratory, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, 300308, China; State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, China. Electronic address:

When administrated orally, the vasodilating drug diltiazem can be metabolized into diacetyl diltiazem in the presence of Bacteroides thetaiotaomicron, a human gut microbe. The removal of acetyl group from the parent drug is carried out by the GDSL/SGNH-family hydrolase BT4096. Here the crystal structure of the enzyme was solved by mercury soaking and single-wavelength anomalous diffraction. The protein folds into two parts. The N-terminal part comprises the catalytic domain which is similar to other GDSL/SGNH hydrolases. The flanking C-terminal part is made up of a β-barrel subdomain and an α-helical subdomain. Structural comparison shows that the catalytic domain is most akin to acetyl-xylooligosaccharide esterase and allows a plausible binding mode of diltiazem to be proposed. The β-barrel subdomain is similar in topology to the immunoglobulin-like domains, including some carbohydrate-binding modules, of various bacterial glycoside hydrolases. Consequently, BT4096 might originally function as an oligosaccharide deacetylase with additional subdomains that could enhance substrate binding, and it acts on diltiazem just by accident.
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http://dx.doi.org/10.1016/j.bbrc.2020.04.116DOI Listing
June 2020

Investigation of endogenous malondialdehyde through fluorescent probe MDA-6 during oxidative stress.

Anal Chim Acta 2020 Jun 13;1116:9-15. Epub 2020 Apr 13.

Key Laboratory of Xinjiang Phytomedicine Resources of Ministry of Education, School of Pharmacy, Shihezi University, Shihezi, 832002, China. Electronic address:

The malondialdehyde (MDA)-specific detection probe (MDA-6) was successfully synthesised through the photoinduced electron transfer (PET) mechanism which possesses many biological applications. In vivo biological applicability of this probe was proved in different cell lines, zebrafish and mice. In these models, the MDA was produced by oxygen stress injury and the relationship between MDA and probe were evaluated in vitro as well as in vivo under different stress conditions. After comparing evaluated results with commercial MDA kit, MDA-6 was concluded with high specificity, low limit of detection (0.03 μM), and can achieve micro-detection of MDA with low cytotoxicity, demonstrating MDA-6 enables safe and effective detection.
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http://dx.doi.org/10.1016/j.aca.2020.04.030DOI Listing
June 2020

Integrated Analysis of mRNA and microRNA Elucidates the Regulation of Glycyrrhizic Acid Biosynthesis in Fisch.

Int J Mol Sci 2020 Apr 28;21(9). Epub 2020 Apr 28.

Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine, Ministry of Education, Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100193, China.

Licorice () is a staple Chinese herbal medicine in which the primary bioactive compound is glycyrrhizic acid (GA), which has important pharmacological functions. To date, the structural genes involved in GA biosynthesis have been identified. However, the regulation of these genes in has not been elucidated. In this study, we performed a comprehensive analysis based on the transcriptome and small RNAome by high-throughput sequencing. In total, we identified 18 structural GA genes and 3924 transporter genes. We identified genes encoding 2374 transporters, 1040 transcription factors (TFs), 262 transcriptional regulators (TRs) and 689 protein kinases (PKs), which were coexpressed with at least one structural gene. We also identified 50,970 alternative splicing (AS) events, in which 17 structural genes exhibited AS. Finally, we also determined that miRNAs potentially targeted 4 structural genes, and 318, 8, and 218 miRNAs potentially regulated 150 TFs, 34 TRs, and 88 PKs, respectively, related to GA. Overall, the results of this study helped to elucidate the gene expression and regulation of GA biosynthesis in , provided a theoretical basis for the synthesis of GA via synthetic biology, and laid a foundation for the cultivation of new varieties of licorice with high GA content.
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http://dx.doi.org/10.3390/ijms21093101DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7247157PMC
April 2020

Characterization of DNPH-coated microreactor chip for analysis of trace carbonyls with application for breath analysis.

J Chromatogr B Analyt Technol Biomed Life Sci 2019 Feb 6;1106-1107:58-63. Epub 2019 Jan 6.

Department of Chemical Engineering, University of Louisville, Louisville, KY 40208, USA. Electronic address:

The analysis of trace carbonyls including aldehydes and ketones is important for monitoring environmental air quality, determining toxicity of aerosol of electronic cigarette, and detecting diseases by breath analysis. This work reports investigation of a single microreactor chip with HClO-acidified DNPH coating for capture and analysis of carbonyls in air and exhaled breath. Three aldehydes and three ketones were spiked into one liter synthetic air in Tedlar bags serving as gaseous carbonyl standard for characterization of capture efficiency (CE). The HClO-acidified DNPH showed higher CE of carbonyls than conventionally-used acid including HPO and HSO acidified DNPH under the microreactor conditions. The microreactor conditions including HClO to DNPH molar ratio, DNPH to carbonyls molar ratio, and gaseous sample flow rate through the microreactor were studied in detail and thereby optimized. Under the optimized conditions, 100% of CEs for aldehydes and above 80% for ketones were obtained. The microreactor chips were applied to determine acetone concentration in exhaled breath.
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http://dx.doi.org/10.1016/j.jchromb.2018.12.030DOI Listing
February 2019

Imparting sensitivity and selectivity to a gold nanoparticle chemiresistor through thiol monolayer functionalization for sensing acetone.

RSC Adv 2018 Oct 18;8(62):35618-35624. Epub 2018 Oct 18.

Chemical Engineering Department, University of Louisville, Louisville, Kentucky 40292, USA. Email:

Chemiresistor-based gas sensors for detection of target volatile organic compounds (VOCs) in air face common challenges of poor sensitivity and selectivity as well as suffering from interference by other constituent gases and/or humidity. This work demonstrates that functionalizing gold nanoparticles (AuNPs) with a designed thiol monolayer improves sensitivity and selectivity of the derived AuNPs gas sensor. We report the synthesis and application of a thiol ligand fitted with both a urea motif and a -butyl end group for functionalizing AuNPs. The AuNPs sensor prepared using the urea thiol ligand demonstrated significantly increased acetone sensing in comparison with tested commercially available thiol-functionalized AuNPs. The sensor worked under ambient temperature and high humidity conditions, and demonstrated a linear relationship between the sensor response and the common logarithm of analyte concentration.
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http://dx.doi.org/10.1039/c8ra06137hDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6238108PMC
October 2018

Prevalence, Demographic Correlates, and Perceived Impacts of Mobile Health App Use Amongst Chinese Adults: Cross-Sectional Survey Study.

JMIR Mhealth Uhealth 2018 04 26;6(4):e103. Epub 2018 Apr 26.

Department of Industrial and Manufacturing Systems Engineering, The University of Hong Kong, Hong Kong, China (Hong Kong).

Background: Mobile health apps have changed the way people obtain health information and services and advance their understanding and management of their health. Although many health apps are available, little is known about the prevalence of their use for different purposes, whether such use is associated with demographic characteristics, and the impacts of their use on health knowledge and management.

Objective: The main objectives of this study were to examine the prevalence, extent, and demographic correlates of health app use and the perceived impacts of health app use on increased health knowledge and improved health condition management.

Methods: We conducted a cross-sectional questionnaire survey of 633 Chinese adults randomly drawn from the general population in Hong Kong.

Results: Of the 633 participants, 612 (96.7%) reported using mobile devices. Of them, 235 (38.4%) reported using multiple types of health apps. The most-used type of health app was about healthy living information (197/612, 32.2%), followed by measuring/recording vital signs (80/612, 13.1%), health and medical reminders (64/612, 10.5%), recovery and rehabilitation information (42/612, 6.9%), diagnosis assistance (28/612, 4.6%), emergency services (16/612, 2.6%), telehealth (11/612, 1.8%), and “other” (19/612, 3.1%). Multivariate logistic regression analysis found that health app users were more likely to be women (odds ratio [OR] 1.68, 95% CI 1.14-2.48, P=.01) of a higher self-rated social class (OR 3.66, 95% CI 1.11-12.11, P=.03). Participants who worked in education/culture/academia (OR 2.31, 95% CI 1.16-4.59, P=.02) or disciplinary forces (OR 5.07, 95% CI 1.25-20.62, p=.02) were more likely to believe that using health apps could increase their health knowledge; participants working in education/culture/academia were also more likely to believe that using health apps could improve the effectiveness of health condition management (OR 2.18, 95% CI 1.10-4.34, P=.03).

Conclusions: Effort should be made to promote health app use, especially to demographic groups that are currently less likely to use health apps (eg, males, individuals from lower social classes). From the public health perspective, guidelines could be developed to help individuals identify quality health apps that meet their needs. Moreover, app developers could improve the usability of health apps to promote health app use.
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http://dx.doi.org/10.2196/mhealth.9002DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5945985PMC
April 2018

Synthesis, biological evaluation and molecular docking studies of aminochalcone derivatives as potential anticancer agents by targeting tubulin colchicine binding site.

Bioorg Chem 2018 08 3;78:332-340. Epub 2018 Apr 3.

Guizhou Provincial Key Laboratory of Pharmaceutics, State Key Laboratory of Functions and Applications of Medicinal Plants, Guizhou Medical University, Guiyang 550004, China; School of Pharmacy, Guizhou Medical University, Guiyang 550004, China. Electronic address:

A series of aminochalcone derivatives have been synthesized, characterized by HRMS, H NMR and C NMR and evaluated for their antiproliferative activity against HepG2 and HCT116 human cancer cell lines. The most of new synthesized compounds displayed moderate to potent antiproliferative activity against test cancer cell lines. Among the derivatives, compound 4 displayed potent inhibitory activity with IC values ranged from 0.018 to 5.33 μM against all tested cancer cell lines including drug resistant HCT-8/T. Furthermore, this compound showed low cytotoxicity on normal human cell lines (LO2). The in vitro tubulin polymerization assay showed that compound 4 inhibited tubulin assembly in a concentration-dependent manner with IC value of 7.1 μM, when compared to standard colchicine (IC = 9.0 μM). Further biological evaluations revealed that compound 4 was able to arrest the cell cycle in G2/M phase. Molecular docking study demonstrated the interaction of compound 4 at the colchicine binding site of tubulin. All the results indicated that compound 4 is a promising inhibitor of tubulin polymerization for the treatment of cancer.
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http://dx.doi.org/10.1016/j.bioorg.2018.03.028DOI Listing
August 2018

Synthesis, in vitro α-glucosidase inhibitory activity and docking studies of novel chromone-isatin derivatives.

Bioorg Med Chem Lett 2018 01 28;28(2):113-116. Epub 2017 Nov 28.

College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, China.

A novel series of chromone-isatin derivatives 6a-6p were designed, synthesized and characterized by H NMR, C NMR and HRMS. These novel synthetic compounds were evaluated for inhibitory activity against yeast α-glucosidase enzyme. The results of biological test have shown that all tested compounds exhibited excellent to potent inhibitory activity in the range of IC = 3.18 ± 0.12-16.59 ± 0.17 μM as compared to the standard drug acarbose (IC = 817.38 ± 6.27 μM). Compound 6j (IC = 3.18 ± 0.12 μM) with a hydroxyl group at the 7-position of chromone and a 4-bromobenzyl group at the N1-positions of isatin, was found to be the most active compound among the series. Furthermore, molecular docking study was performed to help understand binding interactions of the most active analogs with α-glucosidase enzyme. These results indicated that this class of compounds had potential for the development of anti-diabetic agents.
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http://dx.doi.org/10.1016/j.bmcl.2017.11.047DOI Listing
January 2018

Associations Between Waiting Times, Service Times, and Patient Satisfaction in an Endocrinology Outpatient Department: A Time Study and Questionnaire Survey.

Inquiry 2017 Jan-Dec;54:46958017739527

1 The University of Hong Kong, China.

The issue of long patient waits has attracted increasing public attention due to the negative effects of waiting on patients' satisfaction with health care. The present study examined the associations between actual waiting time, perceived acceptability of waiting time, actual service time, perceived acceptability of service time, actual visit duration, and the level of patient satisfaction with care. We conducted a cross-sectional time study and questionnaire survey of endocrinology outpatients visiting a major teaching hospital in China. Our results show that actual waiting time was negatively associated with patient satisfaction regarding several aspects of the care they received. Also, patients who were less satisfied with the sociocultural atmosphere and the identity-oriented approach to their care tended to perceive the amounts of time they spent waiting and receiving care as less acceptable. It is not always possible to prevent dissatisfaction with waiting, or to actually reduce waiting times by increasing resources such as increased staffing. However, several improvements in care services can be considered. Our suggestions include providing clearer, more transparent information to keep patients informed about the health care services that they may receive, and the health care professionals who are responsible for those services. We also suggest that care providers are encouraged to continue to show empathy and respect for patients, that patients are provided with private areas where they can talk with health professionals and no one can overhear, and that hospital staff treat the family members or friends who accompany patients in a courteous and friendly way.
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http://dx.doi.org/10.1177/0046958017739527DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5798665PMC
December 2017

Synthesis, Biological Evaluation and Molecular Docking Study of 2-Substituted-4,6-Diarylpyrimidines as α-Glucosidase Inhibitors.

Molecules 2017 Oct 30;22(11). Epub 2017 Oct 30.

College of Chemistry and Chemical Engineering, Jishou University, Jishou 416000, China.

A novel series of 2-substituted-4,6-diarylpyrimidines - has been synthesized, characterized by ¹H-NMR, C-NMR and HRMS, and screened for in vitro -glucosidase inhibitory activity. The majority of the screened compounds possessed significant α-glucosidase inhibitory activity with IC values ranging from 19.6 ± 0.21 to 38.9 ± 0.35 μM, which is more potent than the positive control α-glucosidase inhibitor acarbose (IC = 817.38 ± 6.27 μM). Among them, was found to be the most active compound against α-glucosidase with an IC of 19.6 ± 0.21 μM. In addition, molecular docking studies were carried out to explore the binding interactions of 2-substituted-4,6-diarylpyrimidine derivatives with α-glucosidase.
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http://dx.doi.org/10.3390/molecules22111865DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6150375PMC
October 2017

Synthesis, biological evaluation and molecular docking studies of chromone hydrazone derivatives as α-glucosidase inhibitors.

Bioorg Med Chem Lett 2017 07 5;27(13):2957-2961. Epub 2017 May 5.

College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.

A series of chromone hydrazone derivatives 4a-4p have been synthesized, characterized by H NMR and C NMR and evaluated for theirinvitro α-glucosidase inhibitory activity. Out of these tested compounds, six (4a, 4b, 4d, 4j, 4o and 4p) displayed potent α-glucosidase inhibitory activity with IC values in the range of 20.1±0.19μM to 45.7±0.23μM, as compared to the standard drug acarbose (IC=817.38±6.27μM). Among this series, compound 4d (IC=20.1±0.19μM) with 4-sulfonamide substitution at phenyl part of hydrazide was found to be the most active compound. Lineweaver-Burk plot analysis indicated that compound 4d is a non-competitive inhibitor of α-glucosidase. The binding interactions of the most active analogs were confirmed through molecular docking studies. Docking studies showed 4d are interacting with the residues Glu-276, Asp-214, Asp-349 and Arg-439 through hydrogen bonds, arene-anion and arene-cation interactions. In summary, our studies shown that these chromone hydrazone derivatives are a new class of α-glucosidase inhibitors.
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http://dx.doi.org/10.1016/j.bmcl.2017.05.007DOI Listing
July 2017

Discovery of 3,3-di(indolyl)indolin-2-one as a novel scaffold for α-glucosidase inhibitors: In silico studies and SAR predictions.

Bioorg Chem 2017 06 3;72:228-233. Epub 2017 May 3.

College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.

3,3-Di(indolyl)indolin-2-ones 4a-4n were synthesized and evaluated for their in vitro α-glucosidase inhibitory activity. These newly synthesized compounds showed moderate to potent α-glucosidase inhibitory activity with IC range from 5.98±0.11 to 145.95±0.46μM, when compared to the standard drug acarbose. Among this series of 3,3-di(indolyl)indolin-2-ones, compound 4j(5.98±0.11μM) having a 2-fluorobenzyl group on the indole ring was found to be the most active compound. Molecular docking studies showed that compound 4j have high binding affinities with the active site of α-glucosidase enzyme through hydrogen bonds, arene-cation, π-π stacking and hydrophobic interactions. This study showed these 3,3-di(indolyl)indolin-2-ones as a new class of α-glucosidase inhibitors.
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http://dx.doi.org/10.1016/j.bioorg.2017.05.006DOI Listing
June 2017

Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Isatin-Thiazole Derivatives as α-Glucosidase Inhibitors.

Molecules 2017 Apr 20;22(4). Epub 2017 Apr 20.

College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, China.

A series of novel isatin-thiazole derivatives were synthesized and screened for their in vitro α-glucosidase inhibitory activity. These compounds displayed a varying degree of α-glucosidase inhibitory activity with IC ranging from 5.36 ± 0.13 to 35.76 ± 0.31 μm as compared to the standard drug acarbose (IC = 817.38 ± 6.27 μm). Among the series, compound bearing a hydroxyl group at the 4-position of the right phenyl and 2-fluorobenzyl substituent at the 1-positions of the 5-methylisatin displayed the highest inhibitory activity with an IC value of 5.36 ± 0.13 μm. Molecular docking studies revealed the existence of hydrophobic interaction, CH-π interaction, arene-anion interaction, arene-cation interaction, and hydrogen bond between these compounds and α-glucosidase enzyme.
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http://dx.doi.org/10.3390/molecules22040659DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6154535PMC
April 2017

Synthesis, molecular docking and α-glucosidase inhibition of 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-N-arylacetamides.

Bioorg Med Chem Lett 2017 03 2;27(5):1115-1118. Epub 2017 Feb 2.

College of Chemistry and Chemical Engineering, Hunan Engineering Laboratory for Analyse and Drugs Development of Ethnomedicine in Wuling Mountains, Jishou University, Jishou 416000, PR China.

A novel series of 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-N-arylacetamides 5a-5q have been synthesized and evaluated for their α-glucosidase inhibitory activity. All newly synthesized compounds exhibited potent α-glucosidase inhibitory activity in the range of IC=12.46±0.13-72.68±0.20μM, when compared to the standard drug acarbose (IC=817.38±6.27μM). Among the series, compound 5j (12.46±0.13μM) with strong electron-withdrawing nitro group on the arylacetamide moiety was identified as the most potent inhibitor of α-glucosidase. Molecular docking study was carried out to explore the binding interactions of these compounds with α-glucosidase. Our study identifies a novel series of potent α-glucosidase inhibitors for further investigation.
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http://dx.doi.org/10.1016/j.bmcl.2017.01.094DOI Listing
March 2017

The complete mitochondrial genome of Lutjanus erythopterus (Perciformes: Lutjanidae) with phylogenetic consideration.

Mitochondrial DNA A DNA Mapp Seq Anal 2017 05 24;28(3):301-302. Epub 2017 Jan 24.

b State Key Laboratory of Biocontrol, Institute of Aquatic Economic Animals, Sun Yat-Sen University , Guangzhou , China , and.

The complete mitochondrial genome of the Lutjanus erythopterus is presented in this study. The mitochondrial genome is 16,509 bp long and consists of 13 protein-coding genes, 2 rRNA genes, 22 tRNA genes, and a control region. The gene order and the composition of Lutjanus erythopterus mitochondrial genome were similar to that of most other vertebrates. The nucleotide compositions of the light strand in descending order are 29.74% of G, 28.14% of T, 25.95% of A, and 16.17% of C. With the exception of the NADH dehydrogenase subunit 6 (ND6) and eight tRNA genes, all other mitochondrial genes are encoded on the heavy strand. The phylogenetic analysis by maximum-likelihood (ML) method shows that the Lutjanus erythopterus was closer to Lutjanus russellii in the phylogenetic relationship.
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http://dx.doi.org/10.3109/19401736.2015.1043537DOI Listing
May 2017

Microsatellite analysis of the genetic relationships between wild and cultivated giant grouper in the South China Sea.

J Genet 2016 Jun;95(2):369-76

1State Key Laboratory of Biocontrol, Institute of Aquatic Economic Animals and Guangdong Provincial Key Laboratory for Aquatic Economic Animals, School of Life Sciences, Sun Yat-Sen University, Guangzhou 510275, People's Republic of China.

The giant grouper (Epinephelus lanceolatus) is a coral fish with high commercial value in Southeast Asia. In the present study, we isolated 11 microsatellite DNA markers, and analysed the genetic diversity and differentiation between cultured stocks and wild populations of the giant grouper originating from the South China Sea. A total of 390 alleles at 11 microsatellite loci were detected in 130 individuals from five different populations. The expected heterozygosity varied from 0.131 to 0.855 with a mean value of 0.623 and the observed heterozygosity varied from 0.145 to 0.869 with a mean value of 0.379. The allelic richness and heterozygosity studies revealed that the genetic diversity of the cultured population was significantly reduced when compared with that of the wild population. The Fis, pairwise Fst values, analysis of molecular variance (AMOVA), threedimensional factorial correspondence analysis and structure analysis revealed significant population differentiation between the cultured stocks and the wild populations, among the three cultured populations and between the two wild populations. These differences may be caused by random genetic drift, the effects of artificial selection and founder effects. Our results will be useful in the management of cultured stocks and conservation of wild populations of the giant grouper.
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http://dx.doi.org/10.1007/s12041-016-0647-9DOI Listing
June 2016

The complete mitochondrial genome of (Perciformes: Sparidae) with phylogenetic consideration.

Mitochondrial DNA B Resour 2016 Jun 20;1(1):348-349. Epub 2016 Jun 20.

Huizhou University, Huizhou, Guangdong, China.

The complete mitochondrial genome of the was presented in this study. The mitochondrial genome is 16,798 bp long and consists of 13 protein-coding genes, 2 rRNA genes, 22 tRNA genes and a control region. The gene order and composition of mitochondrial genome was similar to that of most other vertebrates. The nucleotide compositions of the light strand in descending order is 28.04% of T, 27.94% of G, 27.87% of A and 16.15% of C. With the exception of the NADH dehydrogenase subunit 6 (ND6) and 8 tRNA genes, all other mitochondrial genes are encoded on the heavy strand. The phylogenetic analysis by maximum-likelihood method shown that he has the closer relationship to the in the phylogenetic relationship.
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http://dx.doi.org/10.1080/23802359.2015.1137839DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7800553PMC
June 2016

The complete mitochondrial genome of (Perciformes: ) with phylogenetic consideration.

Mitochondrial DNA B Resour 2016 Apr 6;1(1):150-151. Epub 2016 Apr 6.

Huizhou University, Huizhou, China.

The complete mitochondrial genome of the was presented in this study. The mitochondrial genome is 16 798 bp long and consists of 13 protein-coding genes, two rRNA genes, 22 tRNA genes and a control region. The gene order and composition of mitochondrial genome was similar to that of most other vertebrates. The nucleotide compositions of the light strand in descending order is 28.04% of T, 27.94% of G, 27.87% of A and 16.15% of C. With the exception of the NADH dehydrogenase subunit 6 (ND6) and eight tRNA genes, all other mitochondrial genes are encoded on the heavy strand. The phylogenetic analysis by maximum-likelihood (ML) method shown that the has the closer relationship to the in the phylogenetic relationship.
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http://dx.doi.org/10.1080/23802359.2016.1144105DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7800163PMC
April 2016

Molecular cloning of the insulin-like growth factor 3 and difference in the expression of igf genes in orange-spotted grouper (Epinephelus coioides).

Comp Biochem Physiol B Biochem Mol Biol 2015 Aug 18;186:68-75. Epub 2015 Apr 18.

State Key Laboratory of Biocontrol, Institute of Aquatic Economic Animals and the Guangdong Province Key Laboratory for Aquatic Economic Animals, School of Life Sciences, Sun Yat-Sen University, Guangzhou 510275, China; College of Ocean, Hainan University, Haikou 570228, China.

Insulin-like growth factor (Igf) is the key regulator for development, growth, and reproduction. In most vertebrate species, the Igf family has two forms: Igf1 and Igf2. A novel form of Igf, termed Igf3, was recently discovered in fish. In the present study, we isolated igf3 from the orange-spotted grouper (Epinephelus coioides). The orange-spotted grouper igf3 consisted of a full-length cDNA of 1014 nucleotides with an open reading frame (ORF) of 597 bp, encoding for proteins of 199 amino acid residues in length. Tissue distribution analysis showed that igf1 widely expressed with the highest expression in the pituitary and liver. igf2 was expressed highly in all the tissues except the olfactory bulb, while igf3 showed the highest expression in the ovary, and moderate expression in brain areas. The expression profiles of three igf genes during the ovarian development and growth hormone (Gh) and human chorionic gonadotropin (hCG) treatment were also investigated. Three igf genes exhibited different expression patterns during the ovarian development, and showed different responses to the Gh and hCG treatments, appearing to play distinct roles in ovarian development. The present study provides further evidence for the existence of an intraovarian Igf system in orange-spotted grouper.
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http://dx.doi.org/10.1016/j.cbpb.2015.04.005DOI Listing
August 2015

Amino-functionalized adsorbent prepared by means of Cu(II) imprinted method and its selective removal of copper from aqueous solutions.

J Hazard Mater 2015 Aug 24;294:9-16. Epub 2015 Mar 24.

Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.

An amino-functionalized modified metal ion imprinting adsorbent was newly synthesized for the selective extraction and the removal of Cu(II) from aqueous solution. The adsorption capacity of the amino-functionalized ion-imprinted adsorbent was found to be significantly more than the several adsorbents reported in the literatures. The carbon based adsorbent was characterized by SEM, TEM, XPS, Elemental analysis and FTIR respectively. The optimum pH for Cu(II) adsorption was found to be 5. The adsorption equilibrium isotherm could be described by Langmuir model, the Langmuir isotherm has shown an agreement with experimental data, and the maximum adsorption capacity of copper ions for Cu(II) imprinted adsorbent was 33.33mg/g. The selectivity coefficients of the imprinted material for Cu(II)/Cd(II), Cu(II)/Co(II), Cu(II)/Ni(II) and Cu(II)/Zn(II) were 31.8, 90.2, 38.6 and 36.1, respectively. Those were 10.6, 6.22, 7.11 and 39.2 times greater than that of non-imprinted material, respectively. The high adsorption capacity and selectivity coefficient indicated that this amino-functionalized ion-imprinted adsorbent can be used as the selective adsorbent for the removal of copper ions from wastewater. In this work, glucose, tetraethylene pentamine (TEPA) and copper ions as template are combined together with specific mole radio for preparing carbon-based adsorbent by means of hydrothermal synthesis method.
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http://dx.doi.org/10.1016/j.jhazmat.2015.03.046DOI Listing
August 2015

The complete mitochondrial genome of the hybrid grouper Epinephelus coioides♀ × Epinephelus lanceolatus♂.

Mitochondrial DNA A DNA Mapp Seq Anal 2016 11 20;27(6):4181-4182. Epub 2015 Jan 20.

a State Key Laboratory of Biocontrol , Institute of Aquatic Economic Animals, and the Guangdong Province Key Laboratory for Aquatic Economic Animals, Sun Yat-Sen University , Guangzhou , China and.

The complete mitochondrial genome of the hybrid grouper (Epinephelus coioides♀ × Epinephelus lanceolatus♂) was presented in this study. The mitochondrial genome is 16,743 bp long and consists of 13 protein-coding genes, two rRNA genes, 22 tRNA genes, and a control region. The gene order and the composition of the hybrid grouper mitochondrial genome were similar to that of most other vertebrates. The nucleotide compositions of the light strand are 26.56% of A, 15.79% of C, 28.74% of T, and 28.91% of G. With the exception of the NADH dehydrogenase subunit 6 (ND6) and eight tRNA genes, all other mitochondrial genes are encoded on the heavy strand.
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http://dx.doi.org/10.3109/19401736.2014.1003902DOI Listing
November 2016

The complete mitochondrial genome of the Epinephelus corallicola (Perciformes: Serranidae).

Mitochondrial DNA A DNA Mapp Seq Anal 2016 11 26;27(6):3971-3972. Epub 2014 Dec 26.

b State Key Laboratory of Biocontrol , Institute of Aquatic Economic Animals, Sun Yat-Sen University , Guangzhou , China , and.

We presented the complete mitochondrial genome of the Epinephelus corallicola in this study. The mitochondrial genome is 16,647 bp long and consists of 13 protein-coding genes, 2 rRNA genes, 22 tRNA genes and a control region. The gene order and composition of Epinephelus corallicola mitochondrial genome was similar to that of most other vertebrates. The nucleotide compositions of the light strand are 26.60% of A, 15.89% of C, 28.66% of T and 28.85% of G. With the exception of the NADH dehydrogenase subunit 6 (ND6) and eight tRNA genes, all other mitochondrial genes are encoded on the heavy strand.
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http://dx.doi.org/10.3109/19401736.2014.989509DOI Listing
November 2016

The complete mitochondrial genome of the Epinephelus moara (Osteichthyes: Ephippidae).

Mitochondrial DNA A DNA Mapp Seq Anal 2016 05 27;27(3):2174-5. Epub 2014 Nov 27.

a State Key Laboratory of Biocontrol , Institute of Aquatic Economic Animals, and the Guangdong Province Key Laboratory for Aquatic Economic Animals, Sun Yat-Sen University , Guangzhou 510275 , China and.

We presented the complete mitochondrial genome of the Epinephelus moara in this study. The mitochondrial genome is 16,696 bp long and consists of 13 protein-coding genes, two rRNA genes, 22 tRNA genes and a control region. The gene order and composition of Epinephelus tukula mitochondrial genome was similar to that of most other vertebrates. The nucleotide compositions of the light strand are 26.45% of A, 16.09% of C, 28.60% of T and 28.86% of G. With the exception of the NADH dehydrogenase subunit 6 (ND6) and eight tRNA genes, all other mitochondrial genes are encoded on the heavy strand.
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http://dx.doi.org/10.3109/19401736.2014.982612DOI Listing
May 2016

The complete mitochondrial genome of the Epinephelus akaara (Perciformes: Serranidae).

Mitochondrial DNA A DNA Mapp Seq Anal 2016 05 18;27(3):1890-1. Epub 2014 Nov 18.

a State Key Laboratory of Biocontrol , Institute of Aquatic Economic Animals and the Guangdong Province Key Laboratory for Aquatic Economic Animals, Sun Yat-Sen University , Guangzhou , P.R. China.

The complete mitochondrial genome of the Epinephelus akaara was presented in this study. The mitochondrial genome is 16,743 bp long and consists of 13 protein-coding genes, 2 rRNA genes, 22 tRNA genes and a control region. The gene order and composition of Epinephelus akaara mitochondrial genome was similar to that of most other vertebrates. The nucleotide compositions of the light strand are 27.31% of A, 16.20% of C, 28.68% of T and 27.81% of G. With the exception of the NADH dehydrogenase subunit 6 (ND6) and eight tRNA genes, all other mitochondrial genes are encoded on the heavy strand.
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http://dx.doi.org/10.3109/19401736.2014.971273DOI Listing
May 2016