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Open AccessArticle Public Support for Electronic Cigarette Regulation in Hong Kong: A Population-Based Cross-Sectional Study
Int. J. Environ. Res. Public Health 2017, 14(7), 709; doi:10.3390/ijerph14070709
Received: 15 May 2017 / Revised: 27 June 2017 / Accepted: 28 June 2017 / Published: 30 June 2017
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Abstract
This study aimed to gauge the Hong Kong’s public support towards new e-cigarette regulation, and examine the associated factors of the support. We conducted a two-stage, randomized cross-sectional telephone-based survey to assess the public support towards the banning of e-cigarette promotion and advertisement,
[...] Read more.
This study aimed to gauge the Hong Kong’s public support towards new e-cigarette regulation, and examine the associated factors of the support. We conducted a two-stage, randomized cross-sectional telephone-based survey to assess the public support towards the banning of e-cigarette promotion and advertisement, its use in smoke-free venues, the sale to people aged under 18, and regulating the sale of nicotine-free e-cigarettes. Adults (aged 15 years or above) who were never smoking (n = 1706), ex-smoking (n = 1712) or currently smoking (n = 1834) were included. Over half (57.8%) supported all the four regulations. Banning of e-cigarette promotion and advertisement (71.7%) received slightly less support than the other three regulations (banning of e-cigarette use in smoke-free venues (81.5%); banning of e-cigarette sale to minors (93.9%); sale restriction of nicotine-free e-cigarettes (80.9%)). Current smokers, and perceiving e-cigarettes as less harmful than traditional cigarettes or not knowing the harmfulness, were associated with a lower level of support. Our findings showed a strong public support for further regulation of e-cigarettes in Hong Kong. Current stringent measures on tobacco and e-cigarettes, and media reports on the harmfulness of e-cigarettes may underpin the strong support for the regulation. Full article
(This article belongs to the Section Global Health)
Open AccessArticle Application of a GIS-Based Slope Unit Method for Landslide Susceptibility Mapping along the Longzi River, Southeastern Tibetan Plateau, China
ISPRS Int. J. Geo-Inf. 2017, 6(6), 172; doi:10.3390/ijgi6060172
Received: 30 March 2017 / Revised: 11 June 2017 / Accepted: 11 June 2017 / Published: 12 June 2017
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Abstract
The Longzi River Basin in Tibet is located along the edge of the Himalaya Mountains and is characterized by complex geological conditions and numerous landslides. To evaluate the susceptibility of landslide disasters in this area, eight basic factors were analyzed comprehensively in order
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The Longzi River Basin in Tibet is located along the edge of the Himalaya Mountains and is characterized by complex geological conditions and numerous landslides. To evaluate the susceptibility of landslide disasters in this area, eight basic factors were analyzed comprehensively in order to obtain a final susceptibility map. The eight factors are the slope angle, slope aspect, plan curvature, distance-to-fault, distance-to-river, topographic relief, annual precipitation, and lithology. Except for the rainfall factor, which was extracted from the grid cell, all the factors were extracted and classified by the slope unit, which is the basic unit in geological disaster development. The eight factors were superimposed using the information content method (ICM), and the weight of each factor was acquired through an analytic hierarchy process (AHP). The sensitivities of the landslides were divided into four categories: low, moderate, high, and very high, respectively, accounting for 22.76%, 38.64%, 27.51%, and 11.09% of the study area. The accuracies of the area under AUC using slope units and grid cells are 82.6% and 84.2%, respectively, and it means that the two methods are accurate in predicting landslide occurrence. The results show that the high and very high susceptibility areas are distributed throughout the vicinity of the river, with a large component in the north as well as a small portion in the middle and the south. Therefore, it is necessary to conduct landslide warnings in these areas, where the rivers are vast and the population is dense. The susceptibility map can reflect the comprehensive risk of each slope unit, which provides an important reference for later detailed investigations, including research and warning studies. Full article
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Open AccessArticle Smoke-Free Laws and Hazardous Drinking: A Cross-Sectional Study among U.S. Adults
Int. J. Environ. Res. Public Health 2017, 14(4), 412; doi:10.3390/ijerph14040412
Received: 18 January 2017 / Revised: 21 March 2017 / Accepted: 11 April 2017 / Published: 13 April 2017
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Abstract
Tobacco and alcohol use are strongly associated. This cross-sectional study examined the relationship of smoke-free law coverage and smoke-free bar law coverage with hazardous drinking behaviors among a representative sample of U.S. adult drinkers (n = 17,057). We merged 2009 National Health
[...] Read more.
Tobacco and alcohol use are strongly associated. This cross-sectional study examined the relationship of smoke-free law coverage and smoke-free bar law coverage with hazardous drinking behaviors among a representative sample of U.S. adult drinkers (n = 17,057). We merged 2009 National Health Interview Survey data, American Nonsmokers’ Rights Foundation U.S. Tobacco Control Laws Database, and Census Population Estimates. Hazardous drinking outcomes included heavy drinking (>14 drinks/week for men; >7 drinks/week for women) and binge drinking (≥5 drinks on one or more days during past year). Chi-square tests compared hazardous drinking by sociodemographic factors. Multivariable logistic regression models were used to examine if smoke-free law and bar law coverages were associated with hazardous drinking, controlling for sociodemographics and smoking status. Subset analyses were conducted among drinkers who also smoked (n = 4074) to assess the association between law coverages and hazardous drinking. Among all drinkers, smoke-free law coverage was not associated with heavy drinking (adjusted odds ratio (AOR) = 1.22, 95% confidence interval (CI) = 0.99–1.50) or binge drinking (AOR = 1.09, 95% CI = 0.93–1.26). Smoke-free bar law coverage was also found to be unrelated to hazardous drinking. Similar results were found among those drinkers who smoked. Findings suggest that smoke-free laws and bar laws are not associated with elevated risk for alcohol-related health issues. Full article
(This article belongs to the collection Health Behavior and Public Health)
Open AccessArticle Design, Synthesis and Structure-Activity Relationships of Novel Diaryl Urea Derivatives as Potential EGFR Inhibitors
Molecules 2016, 21(11), 1572; doi:10.3390/molecules21111572
Received: 19 October 2016 / Revised: 11 November 2016 / Accepted: 15 November 2016 / Published: 18 November 2016
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Abstract
Two novel series of diaryl urea derivatives 5ai and 13al were synthesized and evaluated for their cytotoxicity against H-460, HT-29, A549, and MDA-MB-231 cancer cell lines in vitro. Therein, 4-aminoquinazolinyl-diaryl urea derivatives 5ai demonstrated significant activity, and
[...] Read more.
Two novel series of diaryl urea derivatives 5ai and 13al were synthesized and evaluated for their cytotoxicity against H-460, HT-29, A549, and MDA-MB-231 cancer cell lines in vitro. Therein, 4-aminoquinazolinyl-diaryl urea derivatives 5ai demonstrated significant activity, and seven of them are more active than sorafenib, with IC50 values ranging from 0.089 to 5.46 μM. Especially, compound 5a exhibited the most active potency both in cellular (IC50 = 0.15, 0.089, 0.36, and 0.75 μM, respectively) and enzymatic assay (IC50 = 56 nM against EGFR), representing a promising lead for further optimization. Full article
(This article belongs to the Section Medicinal Chemistry)
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Open AccessReview Additive Manufacturing of Biomedical Constructs with Biomimetic Structural Organizations
Materials 2016, 9(11), 909; doi:10.3390/ma9110909
Received: 29 August 2016 / Revised: 26 October 2016 / Accepted: 28 October 2016 / Published: 9 November 2016
Cited by 1 | Viewed by 986 | PDF Full-text (7626 KB) | HTML Full-text | XML Full-text
Abstract
Additive manufacturing (AM), sometimes called three-dimensional (3D) printing, has attracted a lot of research interest and is presenting unprecedented opportunities in biomedical fields, because this technology enables the fabrication of biomedical constructs with great freedom and in high precision. An important strategy in
[...] Read more.
Additive manufacturing (AM), sometimes called three-dimensional (3D) printing, has attracted a lot of research interest and is presenting unprecedented opportunities in biomedical fields, because this technology enables the fabrication of biomedical constructs with great freedom and in high precision. An important strategy in AM of biomedical constructs is to mimic the structural organizations of natural biological organisms. This can be done by directly depositing cells and biomaterials, depositing biomaterial structures before seeding cells, or fabricating molds before casting biomaterials and cells. This review organizes the research advances of AM-based biomimetic biomedical constructs into three major directions: 3D constructs that mimic tubular and branched networks of vasculatures; 3D constructs that contains gradient interfaces between different tissues; and 3D constructs that have different cells positioned to create multicellular systems. Other recent advances are also highlighted, regarding the applications of AM for organs-on-chips, AM-based micro/nanostructures, and functional nanomaterials. Under this theme, multiple aspects of AM including imaging/characterization, material selection, design, and printing techniques are discussed. The outlook at the end of this review points out several possible research directions for the future. Full article
(This article belongs to the Special Issue 3D Printing for Biomedical Engineering)
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Open AccessArticle Ruscogenin Attenuates Cerebral Ischemia-Induced Blood-Brain Barrier Dysfunction by Suppressing TXNIP/NLRP3 Inflammasome Activation and the MAPK Pathway
Int. J. Mol. Sci. 2016, 17(9), 1418; doi:10.3390/ijms17091418
Received: 21 July 2016 / Revised: 19 August 2016 / Accepted: 23 August 2016 / Published: 29 August 2016
Cited by 2 | Viewed by 1164 | PDF Full-text (4613 KB) | HTML Full-text | XML Full-text
Abstract
Ruscogenin, an important steroid sapogenin derived from Ophiopogon japonicus, has been shown to inhibit cerebral ischemic injury. However, its potential molecular action on blood-brain barrier (BBB) dysfunction after stroke remains unclear. This study aimed to investigate the effects of ruscogenin on BBB
[...] Read more.
Ruscogenin, an important steroid sapogenin derived from Ophiopogon japonicus, has been shown to inhibit cerebral ischemic injury. However, its potential molecular action on blood-brain barrier (BBB) dysfunction after stroke remains unclear. This study aimed to investigate the effects of ruscogenin on BBB dysfunction and the underlying mechanisms in middle cerebral artery occlusion/reperfusion (MCAO/R)-injured mice and oxygen–glucose deprivation/reoxygenation (OGD/R)-injured mouse brain microvascular endothelial cells (bEnd.3). The results demonstrated that administration of ruscogenin (10 mg/kg) decreased the brain infarction and edema, improved neurological deficits, increased cerebral brain flow (CBF), ameliorated histopathological damage, reduced evans blue (EB) leakage and upregulated the expression of tight junctions (TJs) in MCAO/R-injured mice. Meanwhile, ruscogenin (0.1–10 µM) treatment increased cell viability and trans-endothelial electrical resistance (TEER) value, decreased sodium fluorescein leakage, and modulated the TJs expression in OGD/R-induced bEnd.3 cells. Moreover, ruscogenin also inhibited the expression of interleukin-1β (IL-1β) and caspase-1, and markedly suppressed the expression of Nucleotide-binding domain (NOD)-like receptor family, pyrin domain containing 3 (NLRP3) and thiredoxin-interactive protein (TXNIP) in vivo and in vitro. Furthermore, ruscogenin decreased reactive oxygen species (ROS) generation and inhibited the mitogen-activated protein kinase (MAPK) pathway in OGD/R-induced bEnd.3 cells. Our findings provide some new insights into its potential application for the prevention and treatment of ischemic stroke. Full article
(This article belongs to the Special Issue Natural Anti-Inflammatory Agents)
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Open AccessReview Flavones: From Biosynthesis to Health Benefits
Plants 2016, 5(2), 27; doi:10.3390/plants5020027
Received: 26 April 2016 / Revised: 15 June 2016 / Accepted: 16 June 2016 / Published: 21 June 2016
Cited by 4 | Viewed by 1044 | PDF Full-text (1914 KB) | HTML Full-text | XML Full-text
Abstract
Flavones correspond to a flavonoid subgroup that is widely distributed in the plants, and which can be synthesized by different pathways, depending on whether they contain C- or O-glycosylation and hydroxylated B-ring. Flavones are emerging as very important specialized metabolites involved
[...] Read more.
Flavones correspond to a flavonoid subgroup that is widely distributed in the plants, and which can be synthesized by different pathways, depending on whether they contain C- or O-glycosylation and hydroxylated B-ring. Flavones are emerging as very important specialized metabolites involved in plant signaling and defense, as well as key ingredients of the human diet, with significant health benefits. Here, we appraise flavone formation in plants, emphasizing the emerging theme that biosynthesis pathway determines flavone chemistry. Additionally, we briefly review the biological activities of flavones, both from the perspective of the functions that they play in biotic and abiotic plant interactions, as well as their roles as nutraceutical components of the human and animal diet. Full article
(This article belongs to the Special Issue Plant Flavonoids)
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Open AccessArticle Extraction, Purification and Primary Characterization of Polysaccharides from Defatted Peanut (Arachis hypogaea) Cakes
Molecules 2016, 21(6), 716; doi:10.3390/molecules21060716
Received: 20 April 2016 / Revised: 21 May 2016 / Accepted: 24 May 2016 / Published: 1 June 2016
Cited by 1 | Viewed by 664 | PDF Full-text (10344 KB) | HTML Full-text | XML Full-text
Abstract
The hot-water extraction, purification and characterization of polysaccharides from defatted peanut cake (PPC) were investigated in this study. A Box-Behnken factorial design (BBD) was used to investigate the effects of three independent variables, namely extraction temperature (X1), extraction time (X2
[...] Read more.
The hot-water extraction, purification and characterization of polysaccharides from defatted peanut cake (PPC) were investigated in this study. A Box-Behnken factorial design (BBD) was used to investigate the effects of three independent variables, namely extraction temperature (X1), extraction time (X2) and ratio of water to raw material (X3). The optimum conditions were 85 °C, 3 h and 20:1 (mL/g) respectively. Regression analysis was done to reveal the experimental results which include 34.97% extraction rate while the value verified under these conditions was 34.49%. The crude PPC was sequentially further purified by Sephadex G-100 chromatography, and one purified fraction was obtained. The PPC purified fraction was characterized by FT-IR, HPAEC; SEC-MALLS. The average molecular weight of the PPC purified fraction was 2.383 × 105 Da. The polysaccharide was mainly composed of glucose, galactose, arabinose and xylose. The PPC have the typical absorption of polysaccharide. Full article
(This article belongs to the Special Issue Natural Polysaccharides)
Open AccessArticle Development of Therapeutic Chimeric Uricase by Exon Replacement/Restoration and Site-Directed Mutagenesis
Int. J. Mol. Sci. 2016, 17(5), 764; doi:10.3390/ijms17050764
Received: 30 March 2016 / Revised: 1 May 2016 / Accepted: 6 May 2016 / Published: 20 May 2016
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Abstract
The activity of urate oxidase was lost during hominoid evolution, resulting in high susceptibility to hyperuricemia and gout in humans. In order to develop a more “human-like” uricase for therapeutic use, exon replacement/restoration and site-directed mutagenesis were performed to obtain porcine–human uricase with
[...] Read more.
The activity of urate oxidase was lost during hominoid evolution, resulting in high susceptibility to hyperuricemia and gout in humans. In order to develop a more “human-like” uricase for therapeutic use, exon replacement/restoration and site-directed mutagenesis were performed to obtain porcine–human uricase with higher homology to deduced human uricase (dHU) and increased uricolytic activity. In an exon replacement study, substitution of exon 6 in wild porcine uricase (wPU) gene with corresponding exon in dhu totally abolished its activity. Substitutions of exon 5, 3, and 1–2 led to 85%, 60%, and 45% loss of activity, respectively. However, replacement of exon 4 and 7–8 did not significantly change the enzyme activity. When exon 5, 6, and 3 in dhu were replaced by their counterparts in wpu, the resulting chimera H1-2P3H4P5-6H7-8 was active, but only about 28% of wPU. Multiple sequence alignment and homology modeling predicted that mutations of E24D and E83G in H1-2P3H4P5-6H7-8 were favorable for further increase of its activity. After site-directed mutagenesis, H1-2P3H4P5-6H7-8 (E24D & E83G) with increased homology (91.45%) with dHU and higher activity and catalytic efficiency than the FDA-approved porcine–baboon chimera (PBC) was obtained. It showed optimum activity at pH 8.5 and 35 °C and was stable in a pH range of 6.5–11.0 and temperature range of 20–40 °C. Full article
(This article belongs to the Section Biochemistry, Molecular and Cellular Biology)
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Open AccessArticle GNSS Precise Kinematic Positioning for Multiple Kinematic Stations Based on A Priori Distance Constraints
Sensors 2016, 16(4), 470; doi:10.3390/s16040470
Received: 20 December 2015 / Revised: 28 March 2016 / Accepted: 30 March 2016 / Published: 1 April 2016
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Abstract
When applying the Global Navigation Satellite System (GNSS) for precise kinematic positioning in airborne and shipborne gravimetry, multiple GNSS receiving equipment is often fixed mounted on the kinematic platform carrying the gravimetry instrumentation. Thus, the distances among these GNSS antennas are known and
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When applying the Global Navigation Satellite System (GNSS) for precise kinematic positioning in airborne and shipborne gravimetry, multiple GNSS receiving equipment is often fixed mounted on the kinematic platform carrying the gravimetry instrumentation. Thus, the distances among these GNSS antennas are known and invariant. This information can be used to improve the accuracy and reliability of the state estimates. For this purpose, the known distances between the antennas are applied as a priori constraints within the state parameters adjustment. These constraints are introduced in such a way that their accuracy is taken into account. To test this approach, GNSS data of a Baltic Sea shipborne gravimetric campaign have been used. The results of our study show that an application of distance constraints improves the accuracy of the GNSS kinematic positioning, for example, by about 4 mm for the radial component. Full article
(This article belongs to the Section Physical Sensors)
Open AccessArticle DNA Binding, Photonuclease Activity and Human Serum Albumin Interaction of a Water-Soluble Freebase Carboxyl Corrole
Molecules 2016, 21(1), 54; doi:10.3390/molecules21010054
Received: 30 September 2015 / Revised: 21 December 2015 / Accepted: 24 December 2015 / Published: 31 December 2015
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Abstract
The DNA binding property of 5,10,15-Tris(4-carboxyphenyl) corrole (TCPC) was studied by UV-Visible, fluorescence and circular dichroism (CD) spectroscopic methods. TCPC can bind to ct-DNA via an outside binding mode with the binding constant of Kb = 1.05 × 105 M−1
[...] Read more.
The DNA binding property of 5,10,15-Tris(4-carboxyphenyl) corrole (TCPC) was studied by UV-Visible, fluorescence and circular dichroism (CD) spectroscopic methods. TCPC can bind to ct-DNA via an outside binding mode with the binding constant of Kb = 1.05 × 105 M−1. TCPC also displayed good photonuclease activity, which involves singlet oxygen species (1O2). The binding constant between TCPC and human serum albumin (HSA) is KA = 2.24 × 105 M−1 with a simulated binding distance of 2.06 nm. The fluorescence quenching of HSA by TCPC followed a static quenching process. Site marker competitive displacement experiments indicated that warfarin site I is the main binding site. The secondary structure of HSA was changed upon interaction with TCPC, which was confirmed by UV-Visible and CD spectroscopy. Full article
(This article belongs to the Special Issue Tetrapyrroles, Porphyrins and Phthalocyanines)
Open AccessArticle Simplified Calculation Model and Experimental Study of Latticed Concrete-Gypsum Composite Panels
Materials 2015, 8(10), 7199-7216; doi:10.3390/ma8105375
Received: 21 August 2015 / Revised: 11 October 2015 / Accepted: 19 October 2015 / Published: 27 October 2015
Cited by 1 | Viewed by 925 | PDF Full-text (8297 KB) | HTML Full-text | XML Full-text
Abstract
In order to address the performance complexity of the various constituent materials of (dense-column) latticed concrete-gypsum composite panels and the difficulty in the determination of the various elastic constants, this paper presented a detailed structural analysis of the (dense-column) latticed concrete-gypsum composite panel
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In order to address the performance complexity of the various constituent materials of (dense-column) latticed concrete-gypsum composite panels and the difficulty in the determination of the various elastic constants, this paper presented a detailed structural analysis of the (dense-column) latticed concrete-gypsum composite panel and proposed a feasible technical solution to simplified calculation. In conformity with mechanical rules, a typical panel element was selected and divided into two homogenous composite sub-elements and a secondary homogenous element, respectively for solution, thus establishing an equivalence of the composite panel to a simple homogenous panel and obtaining the effective formulas for calculating the various elastic constants. Finally, the calculation results and the experimental results were compared, which revealed that the calculation method was correct and reliable and could meet the calculation needs of practical engineering and provide a theoretical basis for simplified calculation for studies on composite panel elements and structures as well as a reference for calculations of other panels. Full article
Open AccessArticle Seismic Experimental Study on New-Type Composite Exterior Wallboard with Integrated Structural Function and Insulation
Materials 2015, 8(6), 3732-3753; doi:10.3390/ma8063732
Received: 9 May 2015 / Revised: 5 June 2015 / Accepted: 15 June 2015 / Published: 19 June 2015
Cited by 4 | Viewed by 1046 | PDF Full-text (1962 KB) | HTML Full-text | XML Full-text
Abstract
In order to evaluate the seismic performance of new-type composite exterior wallboard, a total of six exterior and interior wallboards were incorporated in the experiment of seismic performance. Seismic performance such as the stress process, damage mode, hysteresis and skeleton curve, load-carrying and
[...] Read more.
In order to evaluate the seismic performance of new-type composite exterior wallboard, a total of six exterior and interior wallboards were incorporated in the experiment of seismic performance. Seismic performance such as the stress process, damage mode, hysteresis and skeleton curve, load-carrying and ductility coefficient, damping and energy dissipation, stiffness degradation as well as material strain of the exterior wallboards were analyzed with emphasis and compared with interior wallboards. Results of the experiment and analysis showed that both interior and exterior wallboards exhibited outstanding seismic performance. Due to the existence of insulation layer and externally bonded single gypsum board, the capacity of elastoplastic deformation and seismic energy dissipation of the exterior wallboards was improved and each seismic performance indicator of the exterior wallboards outperformed the interior wallboards. Full article
Open AccessArticle A Comparative Analysis between GIMSS NDVIg and NDVI3g for Monitoring Vegetation Activity Change in the Northern Hemisphere during 1982–2008
Remote Sens. 2013, 5(8), 4031-4044; doi:10.3390/rs5084031
Received: 9 June 2013 / Revised: 18 July 2013 / Accepted: 6 August 2013 / Published: 12 August 2013
Cited by 24 | Viewed by 2493 | PDF Full-text (1074 KB) | HTML Full-text | XML Full-text
Abstract
The long-term Normalized Difference Vegetation Index (NDVI) time-series data set generated from the Advanced Very High Resolution Radiometers (AVHRR) has been widely used to monitor vegetation activity change. The third version of NDVI (NDVI3g) produced by the Global Inventory Modeling and Mapping Studies
[...] Read more.
The long-term Normalized Difference Vegetation Index (NDVI) time-series data set generated from the Advanced Very High Resolution Radiometers (AVHRR) has been widely used to monitor vegetation activity change. The third version of NDVI (NDVI3g) produced by the Global Inventory Modeling and Mapping Studies (GIMMS) group was released recently. The comparisons between the new and old versions should be conducted for linking existing studies with future applications of NDVI3g in monitoring vegetation activity change. Based on simple and piecewise linear regression methods, this study made a comparative analysis between NDVIg and NDVI3g for monitoring vegetation activity change and its responses to climate change in the middle and high latitudes of the Northern Hemisphere during 1982–2008. Our results indicated that there were large differences between NDVIg and NDVI3g in the spatial patterns for both the overall changing trends and the timing of Turning Points (TP) in NDVI time series, which spread over almost the entire study region. The average NDVI trend from NDVI3g was almost twice as great as that from NDVIg and the detected average timing of TP from NDVI3g was about one year later. Although the general spatial patterns were consistent between two data sets for detecting the responses of growing-season NDVI to temperature and precipitation changes, there were large differences in the response magnitude, with a higher response magnitude to temperature in NDVI3g and an opposite response to precipitation change for the two data sets. These results demonstrated that the NDVIg data set may underestimate the vegetation activity change trend and its response to climate change in the middle and high latitudes of the Northern Hemisphere during the past three decades. Full article
(This article belongs to the Special Issue Monitoring Global Vegetation with AVHRR NDVI3g Data (1981-2011))
Open AccessArticle Discovery of Hybrid Dual N-Acylhydrazone and Diaryl Urea Derivatives as Potent Antitumor Agents: Design, Synthesis and Cytotoxicity Evaluation
Molecules 2013, 18(3), 2904-2923; doi:10.3390/molecules18032904
Received: 7 January 2013 / Revised: 19 January 2013 / Accepted: 25 January 2013 / Published: 4 March 2013
Cited by 9 | Viewed by 2216 | PDF Full-text (439 KB) | HTML Full-text | XML Full-text
Abstract
Based on the hybrid pharmacophore design concept, a novel series of dual diaryl urea and N-acylhydrazone derivatives were synthesized and evaluated for their in vitro cytotoxicity by the standard MTT assay. The pharmacological results indicated that most compounds exhibited moderate to excellent
[...] Read more.
Based on the hybrid pharmacophore design concept, a novel series of dual diaryl urea and N-acylhydrazone derivatives were synthesized and evaluated for their in vitro cytotoxicity by the standard MTT assay. The pharmacological results indicated that most compounds exhibited moderate to excellent activity. Moreover, compound 2g showed the most potent cytotoxicity against HL-60, A549 and MDA-MB-231 cell lines, with IC50 values of 0.22, 0.34 and 0.41 μM, respectively, which was 3.8 to 22.5 times more active than the reference compounds sorafenib and PAC-1. The promising compound 2g thus emerges as a lead for further structural modifications. Full article
(This article belongs to the Section Medicinal Chemistry)
Open AccessArticle The Three Dimensional Quantitative Structure Activity Relationships (3D-QSAR) and Docking Studies of Curcumin Derivatives as Androgen Receptor Antagonists
Int. J. Mol. Sci. 2012, 13(5), 6138-6155; doi:10.3390/ijms13056138
Received: 17 April 2012 / Revised: 8 May 2012 / Accepted: 13 May 2012 / Published: 18 May 2012
Cited by 9 | Viewed by 2505 | PDF Full-text (854 KB) | HTML Full-text | XML Full-text
Abstract
Androgen receptor antagonists have been proved to be effective anti-prostate cancer agents. 3D-QSAR and Molecular docking methods were performed on curcumin derivatives as androgen receptor antagonists. The bioactive conformation was explored by docking the potent compound 29 into the binding site of AR.
[...] Read more.
Androgen receptor antagonists have been proved to be effective anti-prostate cancer agents. 3D-QSAR and Molecular docking methods were performed on curcumin derivatives as androgen receptor antagonists. The bioactive conformation was explored by docking the potent compound 29 into the binding site of AR. The constructed Comparative Molecular Field Analysis (CoMFA) and Comparative Similarity Indices Analysis (CoMSIA) models produced statistically significant results with the cross-validated correlation coefficients q2 of 0.658 and 0.567, non-cross-validated correlation coefficients r2 of 0.988 and 0.978, and predicted correction coefficients r2pred of 0.715 and 0.793, respectively. These results ensure the CoMFA and CoMSIA models as a tool to guide the design of novel potent AR antagonists. A set of 30 new analogs were proposed by utilizing the results revealed in the present study, and were predicted with potential activities in the developed models. Full article
(This article belongs to the Section Biochemistry, Molecular and Cellular Biology)

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