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6 pages, 220 KiB  
Communication
Comparison of QIAstat-Dx and BioFire FilmArray Gastrointestinal Panels in a Pediatric Population
by Mohammed Suleiman, Muhammad Iqbal, Patrick Tang and Andrés Pérez-López
Microorganisms 2024, 12(11), 2282; https://doi.org/10.3390/microorganisms12112282 - 10 Nov 2024
Viewed by 1033
Abstract
Accurate laboratory diagnosis of gastroenteritis is important to ensure that patients receive appropriate treatment and proper isolation precautions. This study evaluated the performance of the QIAGEN QIAstat-Dx gastrointestinal panel (QGP) in comparison to the bioMerieux BioFire FilmArray gastrointestinal panel (BGP) for the detection [...] Read more.
Accurate laboratory diagnosis of gastroenteritis is important to ensure that patients receive appropriate treatment and proper isolation precautions. This study evaluated the performance of the QIAGEN QIAstat-Dx gastrointestinal panel (QGP) in comparison to the bioMerieux BioFire FilmArray gastrointestinal panel (BGP) for the detection of gastrointestinal pathogens in 110 pediatric patients being evaluated for gastroenteritis at our hospital. We compared 23 different bacterial, viral, and parasite enteropathogens detected by the QGP against the BGP. The overall positive percent agreement (PPA) for all compared targets was 96.2% and the overall negative percent agreement (NPA) for all compared targets was 99.7%. Our study shows that QIAstat-Dx QGP provides comparable results to the BioFire BGP in our pediatric population. Additionally, the PCR cycle threshold (Ct) value reported by the QGP is potentially a helpful tool in estimating the load of the detected pathogen in stool samples. Full article
(This article belongs to the Section Medical Microbiology)
20 pages, 11015 KiB  
Article
Spatiotemporal Variations in Gross Ecosystem Product and Its Relationship with Economic Growth in Ecologically Vulnerable Watershed Areas: A Case Study of Yongding River Basin
by Jingyi Guo and Ling Wang
Sustainability 2024, 16(21), 9383; https://doi.org/10.3390/su16219383 - 29 Oct 2024
Viewed by 831
Abstract
Ecosystem service value is crucial for balancing economic growth and ecological preservation in ecologically vulnerable watershed areas. Although Gross Ecosystem Product (GEP) has received significant attention, most existing studies have focused on how to measure it. Few studies have explored spatiotemporal variations in [...] Read more.
Ecosystem service value is crucial for balancing economic growth and ecological preservation in ecologically vulnerable watershed areas. Although Gross Ecosystem Product (GEP) has received significant attention, most existing studies have focused on how to measure it. Few studies have explored spatiotemporal variations in GEP and how land-use changes affect these variations regarding ecological restoration at the river basin level. Additionally, while many studies have examined the relationship between ecosystem service value and economic growth, there is little research on how components of GEP influence economic growth. Analyzing the spatiotemporal structure of GEP and its components could offer new insights into optimizing ecological restoration strategies and promoting sustainable development in vulnerable watershed regions. In this study, we used ArcGIS, InVEST, SPSS, and Python to analyze spatiotemporal variations in GEP in the Yongding River Basin within the Beijing–Tianjin–Hebei Economic Region from 1995 to 2020. Moran’s Index and variance decomposition were applied to analyze the spatiotemporal structure. The grey prediction model forecasted GEP trends from 2025 to 2035. The random forest model was used to assess land-use changes’ impacts on GEP. Paired T-tests were used to compare GEP and GDP, and a dynamic panel model was used to examine how ecosystem service value factors influenced economic growth. The results show the following: (1) Regarding values, GEP accounting and variance decomposition results indicated that ecosystem cultural service value (ECV) and ecosystem regulating service value (ERV) each contributed about half of the total GEP. Ecosystem provisioning service value (EPV) showed an upward trend with fluctuations. Regarding the spatial distribution, Moran’s I analysis showed significant positive spatial correlations for EPV and ERV. The grey prediction model results indicated significant growth in GEP from 2025 to 2035 under current ecological restoration policies, especially for ERV and ECV. (2) In terms of the influence of land-use changes, random forest analysis showed that the forest land area was consistently the most influential factor across GEP, EPV, and ERV. Unused land area was identified as the most significant factor for ECV. (3) Before 2010, GEP was larger than GDP, with significant differences between 1995 and 2000. From 2010 onwards, GDP surpassed GEP, but the differences were not statistically significant. Dynamic panel regression further showed that the water conservation value significantly boosted GDP, whereas the water purification value significantly reduced it. This study highlights the importance of integrating GEP into ecological restoration and economic development to ensure the sustainability of ecologically vulnerable watershed areas. Full article
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<p>Logical framework of this study.</p>
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<p>Study area: the Yongding River Basin.</p>
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<p>GEP of the Yongding River Basin.</p>
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<p>The EPV of the Yongding River Basin.</p>
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<p>The ERV of the Yongding River Basin.</p>
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<p>The ECV of the Yongding River Basin.</p>
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<p>Changes of GEP, EPV, ERV, and ECV. (<b>a</b>) Radar chart. (<b>b</b>) Chord diagram. (<b>c</b>) Heatmap.</p>
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<p>EPV local Moran’s Index from 1995 to 2020 (<b>a</b>–<b>f</b>): (<b>a</b>) 1995: Moran’s I = 0.416; (<b>b</b>) 2000: Moran’s I = 0.177; (<b>c</b>)2005: Moran’s I = 0.367; (<b>d</b>) 2010: Moran’s I = 0.321; (<b>e</b>) 2015: Moran’s I = 0.170; (<b>f</b>) 2020: Moran’s I = 0.230. The red line represents the regression line for Moran’s I, which is commonly used to analyse spatial autocorrelation.</p>
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<p>ERV local Moran’s I from 1995 to 2020. (<b>a</b>–<b>f</b>): (<b>a</b>) 1995: Moran’s I = 0.225; (<b>b</b>) 2000: Moran’s I = 0.227; (<b>c</b>) 2005: Moran’s I = 0.227; (<b>d</b>) 2010: Moran’s I = 0.223; (<b>e</b>) 2015: Moran’s I = 0.222; (<b>f</b>) 2020: Moran’s I = 0.230. The red line represents the regression line for Moran’s I, which is commonly used to analyse spatial autocorrelation.</p>
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<p>Grey prediction model to forecast GEP, EPV, ERV, and ECV from 2020 to 2035 (<b>a</b>–<b>d</b>): (<b>a</b>) GEP; (<b>b</b>) EPV; (<b>c</b>) ERV; (<b>d</b>) ECV.The blue line represents actual observed data, showing historical changes. The green line represents the projected future trend, showing the expected change in the variable.</p>
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<p>Influences of land-use changes on different components of GEP.</p>
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22 pages, 73111 KiB  
Article
The City as a Power Hub for Boosting Renewable Energy Communities: A Case Study in Naples
by Giuseppe Aruta, Fabrizio Ascione, Romano Fistola and Teresa Iovane
Sustainability 2024, 16(18), 7988; https://doi.org/10.3390/su16187988 - 12 Sep 2024
Viewed by 1516
Abstract
This study introduces an innovative methodology for designing sustainable urban energy districts using Geographic Information Systems (GIS). The scope is to identify specific parts of the urban fabric, suitable for becoming energy districts that can meet the energy needs of dwellings and activities [...] Read more.
This study introduces an innovative methodology for designing sustainable urban energy districts using Geographic Information Systems (GIS). The scope is to identify specific parts of the urban fabric, suitable for becoming energy districts that can meet the energy needs of dwellings and activities and produce an energy surplus for the city. The method uses building archetypes to characterize the districts and perform simulations through an algorithm based on correction coefficients considering variables such as total building height, exposure, year of construction, and building typology. By leveraging GIS, this approach supports the creation of urban energy maps, which help identify and address potential energy-related issues in various urban contexts. Additionally, the research explores different scenarios for developing energy communities within the district, aiming to optimize energy use and distribution. A case study in Naples, Southern Italy, demonstrates that installing photovoltaic panels on the roofs of buildings can allow a complete electrical supply to the building stock. The final goal is to provide a robust tool that enhances confidence in urban energy planning decisions, contributing to more sustainable and efficient energy management at the district level. This approach may support the urban and territorial governance towards sustainable solutions by developing strategies for the creation of energy communities and optimizing the potential of specific sites. Full article
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Graphical abstract

Graphical abstract
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<p>Example of (<b>A</b>) old town zone, (<b>B</b>) saturated expansion zone, and (<b>C</b>) non-saturated expansion zone for the Mediterranean context, in detail in the city of Naples.</p>
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<p>Method to attribute energy classes to buildings during the EPC process.</p>
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<p>The industrial mill (in red) and the surrounding district (in yellow).</p>
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<p>(<b>A</b>) Prevalent intended use for the analyzed district buildings; (<b>B</b>) building typologies in the district.</p>
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<p>Buildings archetypes: on the left the considered existing buildings, and on the right the building models. (<b>1</b>) Multi-story compact building unit; (<b>2</b>) multi-story building units, in line; (<b>3</b>) single-family isolated building unit; (<b>4</b>) facility and tertiary sector.</p>
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<p>Heating (<b>up</b>) and cooling (<b>down</b>) Urban Energy Maps for the examined district, QGIS.</p>
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<p>Interior lighting (<b>up</b>) and equipment (<b>down</b>) Urban Energy Maps for the examined district, QGIS.</p>
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<p>PEC Urban Energy Map for the examined district, QGIS.</p>
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22 pages, 11628 KiB  
Article
Addition of Biochar to Green Roof Substrate to Enhance Plant Performance: A Long-Term Field Study
by Cuong Ngoc Nguyen, Hing-Wah Chau and Nitin Muttil
Buildings 2024, 14(9), 2775; https://doi.org/10.3390/buildings14092775 - 4 Sep 2024
Viewed by 1046
Abstract
Green roofs (GRs) have been widely adopted as an effective Green Infrastructure (GI) practice in cities worldwide, offering ecosystem services such as stormwater management and reduction of the urban heat island effect. However, their widespread implementation is still limited by a lack of [...] Read more.
Green roofs (GRs) have been widely adopted as an effective Green Infrastructure (GI) practice in cities worldwide, offering ecosystem services such as stormwater management and reduction of the urban heat island effect. However, their widespread implementation is still limited by a lack of local research and uncertain research findings. As a result, the potential benefits of GRs often cannot justify their high investment costs. Previous studies have sought to enhance the effectiveness of GRs by evaluating new GR systems, such as integrating GRs with green walls, blue roofs, photovoltaic (PV) panels, radiant cooling systems, as well as the use of innovative materials in GR substrates. Biochar, a carbon-rich substrate additive, has been recently investigated. The addition of biochar improves water/nutrient retention of GRs, thereby increasing substrate fertility and promoting plant performance. Although studies have examined the effects of biochar on GR plant growth, long-term observational studies focusing on the impacts of various biochar-related parameters remain necessary. Therefore, this research aims to assess the performance of GR plants with different biochar parameters, namely, amendment rates, application methods, and particle sizes. A one-year-long observational data of plant height, coverage area, and dry weight from six GR test beds was collected and analyzed. Results demonstrate the positive impacts of biochar on plant growth in different biochar-GR setups and types of plant species (wallaby grass, common everlasting, and billy buttons). The GR with medium biochar particles at the amendment rate of 15% v/v had the best plant performance. This contributes to increasing the feasibility of GRs by maximizing GR benefits to buildings where they are installed while reducing GR costs of irrigation and maintenance. The conclusions were further supported by observed data indicating reduced substrate temperature, which in turn reduces building energy consumption. Since vegetation is crucial in determining the effectiveness of a GR system, this study will offer valuable insights to GR designers and urban planners for developing optimal biochar-amended GR systems. Such systems provide numerous benefits over traditional GRs, including enhanced plant growth, reduced building energy costs, a shorter payback period, and reduced structural requirements. Full article
(This article belongs to the Special Issue Advances in Green Building Systems)
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<p>A flow chart depicting the methodological framework used in this study.</p>
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<p>The green roofs on the rooftop of Building M at the Footscray Park campus of Victoria University (<b>a</b>) The 50 m<sup>2</sup> GR system and (<b>b</b>) The six GR test beds.</p>
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<p>The cross-section of a green roof test bed with 7.5% <span class="html-italic">v</span>/<span class="html-italic">v</span> medium biochar particles applied at the bottom of the substrate.</p>
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<p>The distribution of plants in each test bed.</p>
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<p>Weather characteristics at the study area during the observation period from May 2023 to May 2024.</p>
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<p>Average height of three wallaby grasses with standard error in the six green roof test beds during the monitoring period.</p>
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<p>Average height of two common everlasting plants with standard error in the six green roof test beds during the monitoring period.</p>
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<p>Average height of two billy button plants with standard error in the six green roof test beds during the monitoring period. (*) one plant died, the average height was measured from one plant only.</p>
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<p>Average dry weight of plants with standard error in six green roof test beds at the end of the monitoring period. (*) one plant died, the average dry weight was measured from one plant only.</p>
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<p>Plant coverage area in the six green roof test beds at the end of the monitoring period.</p>
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<p>Temperature at 10 cm substrate depth in the six green roof test beds from 9:30 to 19:00 over three consecutive hot days (from 27 May 2024 to 29 May 2024).</p>
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<p>Temperature at 10 cm substrate depth in the six green roof test beds from 9:30 to 19:00 over three consecutive cold days (from 31 May 2024 to 2 June 2024).</p>
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14 pages, 4307 KiB  
Article
Detection of Gastrointestinal Pathogens with Zoonotic Potential in Horses Used in Free-Riding Activities during a Countrywide Study in Greece
by Panagiota Tyrnenopoulou, Katerina Tsilipounidaki, Zoi Florou, Christos-Georgios Gkountinoudis, Konstantina Tyropoli, Alexandros Starras, Christina Peleki, Danai Marneris, Nikoletta Arseniou, Daphne T. Lianou, Eleni I. Katsarou, Efthymia Petinaki and George C. Fthenakis
Animals 2024, 14(17), 2566; https://doi.org/10.3390/ani14172566 - 3 Sep 2024
Viewed by 960
Abstract
The objectives of this study were (a) to detect zoonotic gastrointestinal pathogens in faecal samples of horses using the FilmArray® GI Panel and (b) to identify variables potentially associated with their presence. Faecal samples collected from 224 horses obtained during a countrywide [...] Read more.
The objectives of this study were (a) to detect zoonotic gastrointestinal pathogens in faecal samples of horses using the FilmArray® GI Panel and (b) to identify variables potentially associated with their presence. Faecal samples collected from 224 horses obtained during a countrywide study in Greece were tested by means of the BioFire® FilmArray® Gastrointestinal (GI) Panel, which uses multiplex-PCR technology for the detection of 22 pathogens. Gastrointestinal pathogens were detected in the faecal samples obtained from 97 horses (43.3%). Zoonotic pathogens were detected more frequently in samples from horses in courtyard housing (56.0%) than in samples from horses in other housing types (39.7%) (p = 0.040). The most frequently detected zoonotic pathogens were enteropathogenic Escherichia coli (19.2% of horses) and Shiga-like toxin-producing E. coli stx1/stx2 (13.8%). During multivariable analysis, two variables emerged as significant predictors for the outcome ‘detection of at least one zoonotic pathogen in the faecal sample from an animal’: (a) the decreasing age of horses (p = 0.0001) and (b) the presence of livestock at the same premises as the horses (p = 0.013). As a significant predictor for the outcome ‘detection of two zoonotic pathogens concurrently in the faecal sample from an animal’, only the season of sampling of animals (autumn) emerged as significant in the multivariable analysis (p = 0.049). The results indicated a diversity of gastrointestinal pathogens with zoonotic potential in horses and provided evidence for predictors for the infections; also, they can serve to inform horse owners and handlers regarding the possible risk of transmission of pathogens with zoonotic potential. In addition, our findings highlight the importance of continuous surveillance for zoonotic pathogens in domestic animals. Full article
(This article belongs to the Section Equids)
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Figure 1
<p>Location of horses (<span class="html-italic">n</span> = 224) from which faecal samples were collected in Greece.</p>
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<p>Proportion of faecal samples from horses (<span class="html-italic">n</span> = 224) in Greece, in which zoonotic gastrointestinal pathogens were detected, in accordance with the type of horse housing. Grey bars: proportions of horses in which pathogens were detected; green bars: proportions of horses in which pathogens were not detected.</p>
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<p>Seasonal change in the detection rate of zoonotic gastrointestinal pathogens in faecal samples from horses (<span class="html-italic">n</span> = 224) in Greece. The dashed line is the trendline.</p>
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<p>Box and whisker plot of the age of horses (<span class="html-italic">n</span> = 224) in Greece, in accordance with the detection of zoonotic gastrointestinal pathogens in faecal samples and the presence of livestock at the same premises. Green bars: horses in which pathogens were not detected; grey bars: horses in which pathogens were detected; motif pattern: no presence of livestock at same premises; full pattern: presence of livestock at same premises.</p>
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<p>Biplot of results of principal component analysis for detection of zoonotic gastrointestinal pathogens in faecal samples from horses in Greece, in accordance with season when sampling took place, location of horse (part of the country), age of horse, and presence of livestock at the same premises. Grey dots: horses in which pathogens were detected; green dots: horses in which pathogens were not detected.</p>
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<p>Seasonal change in the detection rate of two zoonotic gastrointestinal pathogens concurrently in faecal samples from horses (<span class="html-italic">n</span> = 224) in Greece. The dashed line is the trendline.</p>
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67 pages, 15390 KiB  
Article
Synthesis and Biochemical Evaluation of Ethanoanthracenes and Related Compounds: Antiproliferative and Pro-Apoptotic Effects in Chronic Lymphocytic Leukemia (CLL)
by James P. McKeown, Andrew J. Byrne, Sandra A. Bright, Clara E. Charleton, Shubhangi Kandwal, Ivan Čmelo, Brendan Twamley, Anthony M. McElligott, Darren Fayne, Niamh M. O’Boyle, D. Clive Williams and Mary J. Meegan
Pharmaceuticals 2024, 17(8), 1034; https://doi.org/10.3390/ph17081034 - 5 Aug 2024
Viewed by 1482
Abstract
Chronic lymphocytic leukemia (CLL) is a malignancy of mature B cells, and it is the most frequent form of leukemia diagnosed in Western countries. It is characterized by the proliferation and accumulation of neoplastic B lymphocytes in the blood, lymph nodes, bone marrow [...] Read more.
Chronic lymphocytic leukemia (CLL) is a malignancy of mature B cells, and it is the most frequent form of leukemia diagnosed in Western countries. It is characterized by the proliferation and accumulation of neoplastic B lymphocytes in the blood, lymph nodes, bone marrow and spleen. We report the synthesis and antiproliferative effects of a series of novel ethanoanthracene compounds in CLL cell lines. Structural modifications were achieved via the Diels–Alder reaction of 9-(2-nitrovinyl)anthracene and 3-(anthracen-9-yl)-1-arylprop-2-en-1-ones (anthracene chalcones) with dienophiles, including maleic anhydride and N-substituted maleimides, to afford a series of 9-(E)-(2-nitrovinyl)-9,10-dihydro-9,10-[3,4]epipyrroloanthracene-12,14-diones, 9-(E)-3-oxo-3-phenylprop-1-en-1-yl)-9,10-dihydro-9,10-[3,4]epipyrroloanthracene-12,14-diones and related compounds. Single-crystal X-ray analysis confirmed the structures of the novel ethanoanthracenes 23f, 23h, 24a, 24g, 25f and 27. The products were evaluated in HG-3 and PGA-1 CLL cell lines (representative of poor and good patient prognosis, respectively). The most potent compounds were identified as 20a, 20f, 23a and 25n with IC50 values in the ranges of 0.17–2.69 µM (HG-3) and 0.35–1.97 µM (PGA-1). The pro-apoptotic effects of the potent compounds 20a, 20f, 23a and 25n were demonstrated in CLL cell lines HG-3 (82–95%) and PGA-1 (87–97%) at 10 µM, with low toxicity (12–16%) observed in healthy-donor peripheral blood mononuclear cells (PBMCs) at concentrations representative of the compounds IC50 values for both the HG-3 and PGA-1 CLL cell lines. The antiproliferative effect of the selected compounds, 20a, 20f, 23a and 25n, was mediated through ROS flux with a marked increase in cell viability upon pretreatment with the antioxidant NAC. 25n also demonstrated sub-micromolar activity in the NCI 60 cancer cell line panel, with a mean GI50 value of 0.245 µM. This ethanoanthracene series of compounds offers potential for the further development of lead structures as novel chemotherapeutics to target CLL. Full article
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<p>Drugs used in the treatment of CLL: alkylating agents <b>1</b> bendamustine, <b>2</b> fludarabine phosphate and <b>3</b> pentostatin; covalent BTK inhibitors <b>4</b> ibrutinib, <b>5</b> acalabrutinib, <b>6</b> zanubrutinib and <b>7</b> tirabrutinib; and non-covalent BTK inhibitors <b>8</b> pirtobrutinib and <b>9</b> fenebrutinib.</p>
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<p>Drugs targeting CLL: PI3Kδ inhibitor idelalasilib <b>10</b>; PI3Kδ and PI3Kγ inhibitor duvelisib <b>11</b>; Bcl-2 inhibitor venetoclax <b>12</b>; glutaminase inhibitor telaglenastat CB 839 <b>13</b>; and dual BTK degrader NX-2127 <b>14</b> and MALT-1 inhibitor SGR-1505 <b>15</b>.</p>
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<p>Nitrostyrenes <b>17a</b>, <b>17b</b>, nitrovinylanthracenes <b>18a–e</b> and maprotiline <b>16</b>; target ethanoanthracene structures, Series 1–7.</p>
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<p>Stability study for compounds <b>21a</b>, <b>21i</b>, <b>22h</b>, <b>23a</b>, <b>23g</b>, <b>23n</b>, <b>24a</b>, <b>24h</b>, <b>26a</b> and <b>26n</b> at pH 4.0, pH 7.5 and pH 9.0 over 24 h.</p>
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<p>Cell viability data for ethanoanthracenes <b>20a–e</b>, <b>20g</b>, <b>20h</b> and <b>20f</b>. Cell viability data for (<span class="html-italic">E</span>)-9-(2-Nitrovinyl)-9,10,11,15-tetrahydro-9,10-[3,4]epipyrroloanthracene-12,14-diones <b>20a–e, 20g</b> and <b>20h</b> and the related dimer <b>20f</b> in CLL: (<b>A</b>) HG-3 cells (1 and 10 µM) and (<b>B</b>) PGA-1 cells (1 and 10 µM). The cell proliferation of HG-3 and PGA-1 cells was determined with an alamarBlue assay. Compound concentrations of either 1 µM or 10 µM for 24 h were used to treat the cells (in triplicate) with control wells containing vehicle DMSO (1% <span class="html-italic">v</span>/<span class="html-italic">v</span>). Map = maprotiline; Flu = fludarabine. The mean value for three experiments is shown.</p>
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<p>Cell viability data for chalcones <b>21a–q</b> and ethanoanthracenes <b>22a–22q</b> and <b>23a–23q</b> in CLL cell lines HG-3 and PGA-1. Cell viability data for chalcones <b>21a–q</b> (<b>A</b>,<b>B</b>), maleic anhydride ethanoanthracene adducts <b>22a–22q</b> (<b>C</b>,<b>D</b>) and maleimide ethanoanthracene adducts <b>23a–23q</b> (<b>E</b>,<b>F</b>) in CLL cell lines: the cell proliferation of HG-3 and PGA-1 cells was determined with an alamarBlue assay. Compound concentrations of either 1 µM or 10 µM for 24 h were used to treat the cells (in triplicate) with control wells containing vehicle DMSO (1% <span class="html-italic">v</span>/<span class="html-italic">v</span>). Flu = fludarabine. The mean value for three independent experiments is shown.</p>
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<p>Cell viability data for chalcones <b>21a–q</b> and ethanoanthracenes <b>22a–22q</b> and <b>23a–23q</b> in CLL cell lines HG-3 and PGA-1. Cell viability data for chalcones <b>21a–q</b> (<b>A</b>,<b>B</b>), maleic anhydride ethanoanthracene adducts <b>22a–22q</b> (<b>C</b>,<b>D</b>) and maleimide ethanoanthracene adducts <b>23a–23q</b> (<b>E</b>,<b>F</b>) in CLL cell lines: the cell proliferation of HG-3 and PGA-1 cells was determined with an alamarBlue assay. Compound concentrations of either 1 µM or 10 µM for 24 h were used to treat the cells (in triplicate) with control wells containing vehicle DMSO (1% <span class="html-italic">v</span>/<span class="html-italic">v</span>). Flu = fludarabine. The mean value for three independent experiments is shown.</p>
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<p>Cell viability data for ethanoanthracenes <b>24a–q</b>, <b>25a–q</b>, <b>26a–q</b> and <b>27</b> in CLL cell lines HG-3 and PGA-1. Cell viability data for <span class="html-italic">N</span>-phenylmaleimide-substituted ethanoanthracenes (<b>24a–q</b>, Panels <b>A</b>,<b>B</b>), <span class="html-italic">N</span>-(4-chlorophenyl)maleimide-substituted ethanoanthracenes (<b>25a–q,</b> Panels <b>C</b> and <b>D</b>) and <span class="html-italic">N-</span>(4-benzoylphenyl)maleimide-substituted ethanoanthracenes (<b>26a–q</b>, Panels <b>E</b>,<b>F</b>) and <b>27</b> (<b>E</b>,<b>F</b>) were determined in CLL cells HG-3 cells (1 and 10 µM) and PGA-1 cells (1 and 10 µM). The cell proliferation of HG-3 and PGA-1 cells was determined with an alamarBlue assay. Compound concentrations of either 1 µM or 10 µM for 24 h were used to treat the cells (in triplicate) with control wells containing vehicle DMSO (1% <span class="html-italic">v</span>/<span class="html-italic">v</span>). Flu = fludarabine. The mean value for three independent experiments is shown.</p>
Full article ">Figure 7 Cont.
<p>Cell viability data for ethanoanthracenes <b>24a–q</b>, <b>25a–q</b>, <b>26a–q</b> and <b>27</b> in CLL cell lines HG-3 and PGA-1. Cell viability data for <span class="html-italic">N</span>-phenylmaleimide-substituted ethanoanthracenes (<b>24a–q</b>, Panels <b>A</b>,<b>B</b>), <span class="html-italic">N</span>-(4-chlorophenyl)maleimide-substituted ethanoanthracenes (<b>25a–q,</b> Panels <b>C</b> and <b>D</b>) and <span class="html-italic">N-</span>(4-benzoylphenyl)maleimide-substituted ethanoanthracenes (<b>26a–q</b>, Panels <b>E</b>,<b>F</b>) and <b>27</b> (<b>E</b>,<b>F</b>) were determined in CLL cells HG-3 cells (1 and 10 µM) and PGA-1 cells (1 and 10 µM). The cell proliferation of HG-3 and PGA-1 cells was determined with an alamarBlue assay. Compound concentrations of either 1 µM or 10 µM for 24 h were used to treat the cells (in triplicate) with control wells containing vehicle DMSO (1% <span class="html-italic">v</span>/<span class="html-italic">v</span>). Flu = fludarabine. The mean value for three independent experiments is shown.</p>
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<p>Heatmap for compound <b>25n</b> across cell lines in the NCI-60 screen.</p>
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<p>LDH assay for cytotoxicity of compounds <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> in the HG-3 (Panel <b>A</b>) and PGA-1 (Panel <b>B</b>) cell lines.</p>
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<p>Ethanoanthracene nitrostyrene compounds <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> induce apoptosis in HG-3 and PGA-1 CLL cells. Compounds <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> potently induce apoptosis in HG-3 and PGA-1 cell lines (Annexin V/PI FACS). HG-3 and PGA-1 leukemia cells were treated with <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> (10 µM, 5 µM and 1 µM) and a control vehicle [(1% DMSO (<span class="html-italic">v</span>/<span class="html-italic">v</span>))] at 48 h for panels <b>A</b> and <b>B,</b> respectively. The % of apoptotic cells was determined by staining with Annexin V-FITC and PI (Panels <b>C</b> and <b>D</b> show compounds <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> at 1- and 10-µM concentrations). The lower left quadrant cells are negative for both Annexin V-FITC and PI, and the upper left shows PI cells that are necrotic. The lower right quadrant shows Annexin-positive cells in the early apoptotic stage, and the upper right shows both Annexin- and PI-positive cells in the late apoptosis stage. The experiment was replicated on three independent days.</p>
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<p>Ethanoanthracene nitrostyrene compounds <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> induce apoptosis in HG-3 and PGA-1 CLL cells. Compounds <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> potently induce apoptosis in HG-3 and PGA-1 cell lines (Annexin V/PI FACS). HG-3 and PGA-1 leukemia cells were treated with <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> (10 µM, 5 µM and 1 µM) and a control vehicle [(1% DMSO (<span class="html-italic">v</span>/<span class="html-italic">v</span>))] at 48 h for panels <b>A</b> and <b>B,</b> respectively. The % of apoptotic cells was determined by staining with Annexin V-FITC and PI (Panels <b>C</b> and <b>D</b> show compounds <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> at 1- and 10-µM concentrations). The lower left quadrant cells are negative for both Annexin V-FITC and PI, and the upper left shows PI cells that are necrotic. The lower right quadrant shows Annexin-positive cells in the early apoptotic stage, and the upper right shows both Annexin- and PI-positive cells in the late apoptosis stage. The experiment was replicated on three independent days.</p>
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<p>Ethanoanthracene nitrostyrene compounds <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> induce apoptosis in HG-3 and PGA-1 CLL cells. Compounds <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> potently induce apoptosis in HG-3 and PGA-1 cell lines (Annexin V/PI FACS). HG-3 and PGA-1 leukemia cells were treated with <b>18a</b>, <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> (10 µM, 5 µM and 1 µM) and a control vehicle [(1% DMSO (<span class="html-italic">v</span>/<span class="html-italic">v</span>))] at 48 h for panels <b>A</b> and <b>B,</b> respectively. The % of apoptotic cells was determined by staining with Annexin V-FITC and PI (Panels <b>C</b> and <b>D</b> show compounds <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n</b> at 1- and 10-µM concentrations). The lower left quadrant cells are negative for both Annexin V-FITC and PI, and the upper left shows PI cells that are necrotic. The lower right quadrant shows Annexin-positive cells in the early apoptotic stage, and the upper right shows both Annexin- and PI-positive cells in the late apoptosis stage. The experiment was replicated on three independent days.</p>
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<p>Percentage of total apoptosis observed upon treatment of isolated donor PBMCs with compounds <b>20a</b>, <b>23a</b> and <b>25n</b>. Ethanoanthracene compounds <b>20a</b>, <b>23a</b> and <b>25n</b> induced apoptosis upon the treatment of isolated human-donor peripheral blood mononuclear cells (PBMCs). Isolated donor PBMCs were treated with compound <b>20a</b> (Panel <b>A</b>) at 1.25 µM, 0.68 µM, 0.34 µM, 0.17 µM and 0.08 µM concentrations, compounds <b>23a</b> (Panel <b>B</b>) and <b>25n</b> (Panel <b>C</b>) at 5 µM, 2.5 µM, 1.25 µM, 0.68 µM and 0.34 µM concentrations, and all were normalized against a control vehicle (0.5% DMSO (<span class="html-italic">v</span>/<span class="html-italic">v</span>)) at 48 h. The % of apoptotic cells was determined via staining with Annexin V-FITC and PI. The experiment was performed individually and replicated on three independent days.</p>
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<p>Effect of antioxidant pre-treatment (N-acetylcysteine, NAC) on the viability of HG-3 and PGA-1 CLL cells treated with compounds <b>20a</b>, <b>20f</b>, <b>23a</b> and <b>25n. The</b> cell viability of HG-3 and PGA-1 cells was determined with an alamarBlue assay (seeding density: 2 × 10<sup>5</sup> cells/mL per well for 96-well plates). Compound concentrations of either 1 µM or 10 µM for 24 h were used to treat the HG-3 and PGA-1 CLL cells (in triplicate) with control wells containing vehicle DMSO (1% <span class="html-italic">v</span>/<span class="html-italic">v</span>). The cells were pre-treated with NAC (2 µL, 5 mM) for 1 h, (Panel <b>A</b>,<b>B</b>) and protected from light before then being treated with the compound. The mean value for three independent experiments is shown.</p>
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<p>Effect of pre-treatment with caspase inhibitor Z-VAD-FMK on HG-3 and PGA-1 cell viability for compounds <b>20a</b> and <b>23a</b>. Cell viability analysis (24 h) for inhibitor studies of compounds <b>20a</b> and <b>23a</b> in HG-3 (Panel <b>A</b>) and PGA-1 (Panel <b>B</b>) CLL cell lines: the HG-3 and PGA-1 CLL cells (2 × 10<sup>5</sup> cells/mL) were pre-treated at 37 °C with 40 µM of caspase inhibitor (CI) (Z-VAD-FMK) for 4 h prior to compound treatment at 1 µM and 10 µM for 24 h. The cell proliferation of HG-3 and PGA-1 cells was determined with an alamarBlue assay (CI = caspase inhibitor, n = 2).</p>
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<p>Cumulative probability scores for compounds <b>20a</b>, <b>20b</b>, <b>20d–20f</b>, <b>23a</b>, <b>23c</b>, <b>23f–23i</b>, <b>23k</b>, <b>23l</b>, <b>23n</b>, <b>23p</b>, <b>24f</b>, <b>24l</b>, <b>25n</b> and <b>26n</b> for the 30 targets most strongly indicated via STP.</p>
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<p>Standardized cumulative probability scores of target groups indicated via STP for the tested compounds <b>20a</b>, <b>20b</b>, <b>20d–20f</b>, <b>23a</b>, <b>23c</b>, <b>23f–23i</b>, <b>23k</b>, <b>23l</b>, <b>23n</b>, <b>23p</b>, <b>24f</b>, <b>24l</b>, <b>25n</b> and <b>26n</b> compared to Maprotiline. Scores were standardized using z-scores (i.e., differences in standard deviations from their mean).</p>
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<p>Synthesis of Series 1 ethanoanthracenes <b>20a–g</b> reagents and conditions: (<b>a</b>) piperidine acetate, excess nitromethane (CH<sub>3</sub>NO<sub>2</sub>), 90 °C, N<sub>2</sub>, 1.5 h (71–99%); (<b>b</b>) dienophile (maleic anhydride) for <b>20h</b>, maleimide for <b>20d</b>, NCHC=CH<sub>2</sub> for <b>20e</b>, toluene, 90 °C, 48 h (30–80%); (<b>c</b>) dienophile <b>19a</b> for <span class="html-italic">N</span>-arylmaleimides <b>20a</b> and <b>20g</b>, <b>19b</b> for <b>20g</b>, <b>19c</b> for <b>20c</b>, toluene, 90 °C, 48 h, (15–51%); and (<b>d</b>) toluene, 90 °C, 48 h (10%).</p>
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<p>Synthesis of Series 2 anthracene chalcones <b>21a–q</b> and Series 3–7 ethanoanthracenes <b>22a–q</b>, <b>23a–q</b>, <b>24a–q</b>, <b>25a–q</b>, <b>26a–q</b> and <b>27</b> (see <a href="#pharmaceuticals-17-01034-t001" class="html-table">Table 1</a> for substituents and yields). Reagents and conditions: (<b>a</b>) Appropriate aryl methyl ketone, EtOH, NaOH, 20 °C, 24 h. (<b>b</b>) Appropriate anthracene chalcone <b>21a–q</b>, dieneophile (maleic anhydride for <b>22a–q</b>, maleimide for <b>23a–q</b>, <span class="html-italic">N</span>-phenylmaleimide for <b>24a–q</b>, <span class="html-italic">N</span>-(4-chlorophenyl)maleimide for <b>25a–q</b>, <span class="html-italic">N</span>-(4-benzoylphenyl)maleimide for <b>26a–q</b>, dimethyl acetylenedicarboxylate for <b>27</b>), toluene, 90 °C, 48 h. (<b>c</b>) Aniline, acetic acid 120 °C, 2–3 h (72%).</p>
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29 pages, 4488 KiB  
Article
Assessment of Rural Industry Integration Development, Spatiotemporal Evolution Characteristics, and Regional Disparities in Ethnic Regions: A Case Study of Inner Mongolia Autonomous Region Counties
by Jinghui Bao, Changbai Xiu, Yuchun Liu and Jie Li
Sustainability 2024, 16(15), 6304; https://doi.org/10.3390/su16156304 - 23 Jul 2024
Cited by 2 | Viewed by 1140
Abstract
Ethnic regions in China primarily focus on the development of agricultural and animal husbandry economies, which are relatively underdeveloped. Rural industry integration development (RIID) is considered the foundation and guarantee for ethnic regions to achieve high-quality modernization of agriculture. The purpose of this [...] Read more.
Ethnic regions in China primarily focus on the development of agricultural and animal husbandry economies, which are relatively underdeveloped. Rural industry integration development (RIID) is considered the foundation and guarantee for ethnic regions to achieve high-quality modernization of agriculture. The purpose of this article is to measure the level of rural industrial integration in ethnic minority areas, analyze the spatial evolution and regional differences, and explore the actual situation of RIID in these regions. The aim is to provide a decision-making basis for local governments to effectively promote the development of rural industrial integration. Based on the improvement of the evaluation index system for rural industrial integration development, this paper takes the counties of the Inner Mongolia Autonomous Region as the research area. Utilizing panel data from the statistical yearbooks of 68 banners and counties in Inner Mongolia from 2011 to 2020, the panel entropy weight TOPSIS method is employed to assess the average level of rural industrial integration in the research area. The ArcGIS natural breakpoint method is employed to classify the level of RIID in county areas. Exploratory Spatial Data Analysis (ESDA) and GeoDa are utilized to analyze the spatial distribution characteristics of RIID. Finally, the Theil index is employed to analyze the regional differences in the level of RIID. The results show the following: (1) The overall level of RIID in ethnic regions is relatively low, with the contributions of the four dimensions in the evaluation index system as follows: integration path > integration foundation > integration sustainability > integration effect. The level of RIID in the study area is as follows: western region > eastern region > central region. (2) Spatially, there are positive correlations and significant spatial clustering in the level of RIID, with the spatial clustering effect of RIID weakening. (3) There are regional differences in the level of RIID, which are expanding. The inter-regional differences are decreasing, while the intra-regional differences are increasing. (4) The construction of agricultural processing facilities, financial investment, financial support, and talent policies are important influencing factors for the current stage of RIID in ethnic regions. Therefore, in the low-level development stage of RIID in ethnic regions, it is necessary to fully utilize the advantages of resource endowment, increase investment in rural infrastructure, and strengthen the guidance of talent flow into rural revitalization construction. Full article
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<p>The logical structure of rural industry integration.</p>
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<p>The research process.</p>
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<p>Geographical location of the Inner Mongolia Autonomous Region.</p>
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<p>Changes in the annual GDP growth rate of Inner Mongolia Autonomous Region and other major grain-producing areas from 2010 to 2020.</p>
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<p>The trends in the changes in the integration foundation, integration path, integration benefit, and sustainable integration from 2011 to 2020.</p>
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<p>Trend of RIID in the county-wide, eastern, central, and western regions from 2011 to 2020.</p>
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<p>Visual representation for the level of RIID in the study area for the years 2011, 2015, and 2020.</p>
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<p>Distribution trend map of the five categories in the eastern, central, and western regions for the years 2011, 2015, and 2020.</p>
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<p>Moran scatter plot of the level of RIID in counties for the years 2011, 2015, and 2020.</p>
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<p>LISA Diagrams of RIID and Comprehensive Level in County Regions of Inner Mongolia Autonomous Region for the Years 2011, 2015, and 2020.</p>
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<p>Theil index: overall, inter-group, intra-group, and regional (east, central, and west) disparity change trend.</p>
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26 pages, 12122 KiB  
Article
Large-Scale Solar Potential Analysis in a 3D CAD Framework as a Use Case of Urban Digital Twins
by Evgeny Shirinyan and Dessislava Petrova-Antonova
Remote Sens. 2024, 16(15), 2700; https://doi.org/10.3390/rs16152700 - 23 Jul 2024
Cited by 1 | Viewed by 2318
Abstract
Solar radiation impacts diverse aspects of city life, such as harvesting energy with PV panels, passive heating of buildings in winter, cooling the loads of air-conditioning systems in summer, and the urban microclimate. Urban digital twins and 3D city models can support solar [...] Read more.
Solar radiation impacts diverse aspects of city life, such as harvesting energy with PV panels, passive heating of buildings in winter, cooling the loads of air-conditioning systems in summer, and the urban microclimate. Urban digital twins and 3D city models can support solar studies in the process of urban planning and provide valuable insights for data-driven decision support. This study examines the calculation of solar incident radiation at the city scale in Sofia using remote sensing data for the large shading context in a mountainous region and 3D building data. It aims to explore the methods of geometry optimisation, limitations, and performance issues of a 3D computer-aided design (CAD) tool dedicated to small-scale solar analysis and employed at the city scale. Two cases were considered at the city and district scales, respectively. The total face count of meshes for the simulations constituted approximately 2,000,000 faces. A total of 64,379 roofs for the whole city and 4796 buildings for one district were selected. All calculations were performed in one batch and visualised in a 3D web platform. The use of a 3D CAD environment establishes a seamless process of updating 3D models and simulations, while preprocessing in Geographic Information System (GIS) ensures working with large-scale datasets. The proposed method showed a moderate computation time for both cases and could be extended to include reflected radiation and dense photogrammetric meshes in the future. Full article
(This article belongs to the Section Urban Remote Sensing)
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Graphical abstract

Graphical abstract
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<p>UDT functionality utilisation across different urban scenarios, including solar potential use case.</p>
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<p>The scheme of the workflow.</p>
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<p>Effective shading terrain surface and 3D terrain generation: (<b>a</b>) viewshed analysis of the terrain shading in QGIS; (<b>b</b>) clipping the terrain with the viewshed (terrain surface clipped the viewshed is presented in green and terrain surface outside the viewshed is presented in blue).</p>
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<p>Shading mask according to Global Solar Atlas.</p>
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<p>Calculation of incident radiation in Ladybug Tools.</p>
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<p>Texture baking in Blender for the study mesh (<b>a</b>), 3134 faces, and the simplification of the mesh, 292 faces(<b>b</b>).</p>
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<p>Location of the sample buildings.</p>
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<p>Terrain shading in Global Solar Atlas of Building 1 (<b>a</b>) and Building 2 (<b>b</b>).</p>
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<p>Input geometry for the study.</p>
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<p>Solar incident radiation without shading (<b>a</b>) and with shading (<b>b</b>).</p>
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<p>Calculation time and face count: (<b>a</b>) Tregenza sky; (<b>b</b>) Tregenza sky, Reinhart sky, and Reinhart sky with grafting; (<b>c</b>) Tregenza sky without shading geometry and with shading geometry.</p>
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<p>(<b>a</b>) solar potential in Rhino; (<b>b</b>) solar potential in ArcGIS Online.</p>
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<p>(<b>a</b>) Solar potential in Rhino; (<b>b</b>) solar potential in ArcGIS Online.</p>
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<p>Solar potential visualisation in CesiumJS; (<b>a</b>) rooftops of residential buildings in Sofia; (<b>b</b>) building surfaces in the district of Lozenets.</p>
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<p>Comparison PC1 and PC2.</p>
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<p>Solar analysis of dense photogrammetric meshes.</p>
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19 pages, 893 KiB  
Article
Impact of New Energy Industry Agglomeration on Green Innovation Efficiency—Based on the Regulative Effect of Green Finance
by Yiding Wu and Jingfei Song
Sustainability 2024, 16(8), 3311; https://doi.org/10.3390/su16083311 - 16 Apr 2024
Cited by 1 | Viewed by 1535
Abstract
With the implementation of China’s innovation-driven high-quality economic development strategy, green and innovation are already the key factors of economic development. Therefore, developing green industry and improving regional green innovation have attracted wide attention and are of great significance to the sustainable development [...] Read more.
With the implementation of China’s innovation-driven high-quality economic development strategy, green and innovation are already the key factors of economic development. Therefore, developing green industry and improving regional green innovation have attracted wide attention and are of great significance to the sustainable development of China’s economy. Therefore, starting from China’s provincial panel from 2012 to 2021, this paper first uses the super-efficiency relaxation data envelopment analysis model (Super-SBM) to estimate green innovation efficiency (GI) and then uses the location entropy to measure the regional agglomeration level of the new energy industry (agg). Then, the generalized estimation of moments (GMM) model is used to explore the impact of agg on GI and verify the regulatory mechanism of green finance (GF). The results are as follows: (1) agg presents a distribution of “the highest in the eastern region, followed by the central region, and the lowest in the western region”, (2) agg can facilitate the improvement of GI, and in accordance with the threshold model, moderate GF will further amplify this effect. Therefore, the state and government should further promote the green finance policy, guide new energy enterprises to gather and contribute to the sustainable development of China’s economy. Full article
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<p>LQ of the new energy industry in China’s provinces from 2012 to 2021.</p>
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<p>The development level of green finance in China’s provinces from 2012 to 2021.</p>
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19 pages, 12932 KiB  
Article
The Spatiotemporal Impact of Digital Economy on High-Quality Agricultural Development: Evidence from China
by Qi Li and Zhijiao Liu
Sustainability 2024, 16(7), 2814; https://doi.org/10.3390/su16072814 - 28 Mar 2024
Cited by 1 | Viewed by 1536
Abstract
China’s high-quality economic development is strongly supported by the high-quality development of agriculture, and the digital economy has emerged as a key driver for promoting shared prosperity and high-quality economic development. Against this backdrop, investigating the connection between high-quality agricultural development and the [...] Read more.
China’s high-quality economic development is strongly supported by the high-quality development of agriculture, and the digital economy has emerged as a key driver for promoting shared prosperity and high-quality economic development. Against this backdrop, investigating the connection between high-quality agricultural development and the digital economy holds significant importance. This study utilized the entropy-weighted TOPSIS model to evaluate comprehensive evaluation indicators of the two according to panel data from 30 provinces in China between 2011 and 2021. Subsequently, GIS spatial analysis and exploratory spatial data analysis (ESDA) were employed to investigate the spatiotemporal evolution features and spatial correlations. Finally, the spatiotemporal geographically weighted regression (GTWR) model was constructed to examine the spatiotemporal impact of the digital economy on the advancement of high-quality agricultural growth. The results indicate that: (1) from 2011 to 2021, China’s high-quality agricultural development and digital economy both demonstrated a general increasing trend. In terms of spatial distribution, there were significant spatial variations, with a general trend of “Southeast is higher, whereas the Northwest is lower”. The regions with significant value were primarily clustered in the coastal areas in the east and several provincial capitals. (2) Both of the two exhibited significant global spatial self-correlation, and there were also significant spatiotemporal clustering effects in high-quality agricultural growth, gradually forming a high-value cluster centered around Shanghai and a low-value cluster centered around western provinces. (3) The digital economy positively influences the enhancement of high-quality agricultural development, demonstrating notable spatial and temporal heterogeneity. In contrast to the southeastern areas, the influence is more pronounced in the northern and central-western areas. Full article
(This article belongs to the Special Issue Agricultural Economic Transformation and Sustainable Development)
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<p>Value of the digital economy and high-quality development of agriculture, 2011–2021.</p>
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<p>Spatial distribution of the digital economy.</p>
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<p>Spatial distribution of the high-quality development of agriculture.</p>
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<p>LISA diagram of the digital economy, 2009 and 2021.</p>
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<p>LISA diagram of the high-quality agricultural development, 2009 and 2021.</p>
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<p>Temporal changes of regression coefficients for the digital economy, 2011–2021.</p>
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<p>Spatial distribution of regression coefficients for the digital economy.</p>
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24 pages, 4328 KiB  
Article
Synthesis of Novel Triazine-Based Chalcones and 8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepines as Potential Leads in the Search of Anticancer, Antibacterial and Antifungal Agents
by Leydi M. Moreno, Jairo Quiroga, Rodrigo Abonia, María del P. Crespo, Carlos Aranaga, Luis Martínez-Martínez, Maximiliano Sortino, Mauricio Barreto, María E. Burbano and Braulio Insuasty
Int. J. Mol. Sci. 2024, 25(7), 3623; https://doi.org/10.3390/ijms25073623 - 23 Mar 2024
Cited by 1 | Viewed by 1903
Abstract
This study presents the synthesis of four series of novel hybrid chalcones (20,21)ag and (23,24)ag and six series of 1,3,5-triazine-based pyrimido[4,5-b][1,4]diazepines (2833)ag and the [...] Read more.
This study presents the synthesis of four series of novel hybrid chalcones (20,21)ag and (23,24)ag and six series of 1,3,5-triazine-based pyrimido[4,5-b][1,4]diazepines (2833)ag and the evaluation of their anticancer, antibacterial, antifungal, and cytotoxic properties. Chalcones 20b,d, 21a,b,d, 23a,dg, 24ag and the pyrimido[4,5-b][1,4]diazepines 29e,g, 30g, 31a,b,eg, 33a,b,eg exhibited outstanding anticancer activity against a panel of 60 cancer cell lines with GI50 values between 0.01 and 100 μM and LC50 values in the range of 4.09 μM to >100 μM, several of such derivatives showing higher activity than the standard drug 5-fluorouracil (5-FU). On the other hand, among the synthesized compounds, the best antibacterial properties against N. gonorrhoeae, S. aureus (ATCC 43300), and M. tuberculosis were exhibited by the pyrimido[4,5-b][1,4]diazepines (MICs: 0.25–62.5 µg/mL). The antifungal activity studies showed that triazinylamino-chalcone 29e and triazinyloxy-chalcone 31g were the most active compounds against T. rubrum and T. mentagrophytes and A. fumigatus, respectively (MICs = 62.5 μg/mL). Hemolytic activity studies and in silico toxicity analysis demonstrated that most of the compounds are safe. Full article
(This article belongs to the Section Molecular Pharmacology)
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<p>1,3,5-Triazine hybrids with biological properties.</p>
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<p>Bar chart of the mean growth percent (MGP) against 60 cancer cell lines for the trisubstituted triazines <b>14</b>–<b>15</b> and <b>17</b>–<b>18</b>, chalcones (<b>20</b>,<b>21</b>)<b>a</b>–<b>g</b> and (<b>23</b>,<b>24</b>)<b>a</b>–<b>g</b>, and diazepines (<b>28</b>–<b>33</b>)<b>a</b>–<b>g</b>.</p>
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<p>Bar chart of the In vitro Minimum Inhibitory Concentration (MIC) values for the triazinylamino-chalcones <b>24a</b>–<b>g</b> and triazinyloxy- and triazinylamino-pyrimido[4,5-<span class="html-italic">b</span>][1,4]diazepines <b>29a</b>–<b>g</b> and <b>31a</b>–<b>g</b>, against <span class="html-italic">M. tuberculosis</span> ATCC 27294. Control: Isoniazid (0.1 µg/mL).</p>
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<p>Synthesis of triazine-based sulfonamides <b>17</b>,<b>18</b>.</p>
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<p>Synthesis of triazinyloxy-chalcones (<b>20,21</b>)<b>a</b>–<b>g</b> and triazinylamino-chalcones <b>(23,24</b>)<b>a</b>–<b>g.</b></p>
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<p>Synthesis of the target triazinyloxy- and triazinylamino-pyrimido[4,5-<span class="html-italic">b</span>][1,4]diazepines (<b>28</b>–<b>33</b>)<b>a</b>–<b>g</b>.</p>
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29 pages, 26616 KiB  
Article
Estimating Yield Response Functions to Nitrogen for Annual Crops in Iran
by Mona Aghabeygi and Cenk Dönmez
Agronomy 2024, 14(3), 436; https://doi.org/10.3390/agronomy14030436 - 23 Feb 2024
Cited by 2 | Viewed by 1430
Abstract
Nitrate is a crucial element for crop growth, and its optimal application is essential for maximizing agricultural yield. In Iranian agriculture, there is a substantial gap between recommended nitrate usage and what farmers actually apply. In this study, our primary objective is to [...] Read more.
Nitrate is a crucial element for crop growth, and its optimal application is essential for maximizing agricultural yield. In Iranian agriculture, there is a substantial gap between recommended nitrate usage and what farmers actually apply. In this study, our primary objective is to determine the most effective utilization of nitrate for crop cultivation. Simultaneously, we aim to analyze the factors that contribute to the disparity between optimal and current nitrate application practices. Furthermore, our research explores the impact of these differences on regional variations in crop yields. This is achieved using a quadratic yield response function model based on unbalanced panel data spanning the years 2000 to 2016, which includes a total of 14 crop activities and encompasses 31 administrative regions. The results show that rice exhibits the highest nitrogen usage, while rain-fed wheat demonstrates the lowest utilization at the optimal point. Depending on whether random- or fixed-effects estimation is found to be the most suitable specification, average yields corresponding to the optimal level of nitrogen use are calculated by region, or the average across all regions. In Iran, the top-performing regions for cereals like rain-fed wheat and irrigated barley can achieve yields of 1.33 and 3 t/ha, respectively. These yields represent a 31% and a 9% increase from the levels observed in 2016. The outcomes derived from the estimated yield response function will be integrated into comprehensive agricultural, economic, and environmental optimization models. These integrated models will facilitate the assessment of various fertilizer policies on fertilizer use, land allocation, farm-household incomes, and environmental externalities, such as nitrate leaching and nitrate balance. This study holds substantial scientific promise, given its exploration of the policy implications surrounding fertilizer usage, making it crucial not only for Iran, but also for many developing nations grappling with inefficient and unsustainable agricultural practices. It represents the first of its kind in the literature, providing estimations of optimal nitrogen use and crop yield points across all regions in Iran. This is achieved through advanced visualization using GIS maps. Full article
(This article belongs to the Section Agricultural Biosystem and Biological Engineering)
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<p>Optimal nitrate application (kg/ha) for crops under rain-fed and irrigated technologies in Iran. Source: model results.</p>
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<p>Optimal and observed 2016 regional yield distribution of rain-fed wheat in Iran.</p>
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<p>Optimal and observed 2016 regional yield distribution of irrigated barley in Iran.</p>
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<p>Optimal and observed 2016 regional yield distribution of rain-fed maize in Iran.</p>
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<p>Optimal and observed 2016 regional yield distribution of irrigated tomato in Iran.</p>
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<p>Optimal and observed 2016 regional yield distribution of irrigated potato in Iran.</p>
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<p>Optimal and observed 2016 regional yield distribution of rain-fed onion in Iran.</p>
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<p>Optimal and observed 2016 regional yield distribution of irrigated canola in Iran.</p>
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<p>Optimal regional yield distribution of rain-fed wheat in Iran.</p>
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<p>Observed 2016 regional yield distribution of rain-fed wheat in Iran.</p>
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<p>Optimal regional yield distribution of irrigated barley in Iran.</p>
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<p>Observed 2016 regional yield distribution of irrigated barley in Iran.</p>
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<p>Optimal regional yield distribution of irrigated maize in Iran.</p>
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<p>Observed 2016 regional yield distribution of irrigated maize in Iran.</p>
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<p>Optimal regional yield distribution of irrigated tomato in Iran.</p>
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<p>Observed 2016 regional yield distribution of irrigated tomato in Iran.</p>
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<p>Optimal regional yield distribution of irrigated potato in Iran.</p>
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<p>Observed 2016 regional yield distribution of irrigated potato in Iran.</p>
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<p>Optimal regional yield distribution of irrigated onion in Iran.</p>
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<p>Observed 2016 regional yield distribution of irrigated onion in Iran.</p>
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<p>Optimal regional yield distribution of irrigated canola in Iran.</p>
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<p>Observed 2016 regional yield distribution of irrigated canola in Iran.</p>
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18 pages, 486 KiB  
Article
Can Green Infrastructure Investment Reduce Urban Carbon Emissions:Empirical Evidence from China
by Kunpeng Ai and Xiangwu Yan
Land 2024, 13(2), 226; https://doi.org/10.3390/land13020226 - 12 Feb 2024
Cited by 6 | Viewed by 3210
Abstract
Green infrastructure (GI) plays a pivotal role in contemporary urban infrastructure. Green infrastructure investment (GII) provides a fresh perspective for controlling urban carbon emissions in the context of global climate change. Based on theoretical analysis, we employed panel data from Chinese cities to [...] Read more.
Green infrastructure (GI) plays a pivotal role in contemporary urban infrastructure. Green infrastructure investment (GII) provides a fresh perspective for controlling urban carbon emissions in the context of global climate change. Based on theoretical analysis, we employed panel data from Chinese cities to examine the effects and operating mechanisms of GII on urban carbon emissions. The research reveals that the incremental GII can notably decrease urban carbon emissions, and various robustness tests and endogeneity checks corroborate this finding. However, when considering the cumulative effect, the GII stocks do not appear to influence urban carbon emissions; GII mitigates urban carbon emissions by drawing in pollution control talents, improving the efficiency of household waste treatment, increasing urban green spaces, and heightening public attention to the environment. Relative to cities in the central-western region, northern cities, smaller cities, resource-based cities, smart pilot cities, and cities with a lesser environmental emphasis, GII is more effective in curbing carbon emissions in eastern cities, southern cities, larger cities, non-resource-intensive cities, cities not in the smart pilot initiative, and cities with a stronger environmental focus. This research enhances the understanding of GI’s environmental outcomes and the determinants of urban carbon emissions from an investment viewpoint. It also dissects the four operative mechanisms through which GII lowers urban carbon emissions, offering a novel interpretation of GII for the variance in carbon emission levels across cities with diverse traits. Full article
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<p>Influence channels of the GII on urban carbon emission intensity.</p>
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28 pages, 12450 KiB  
Article
Benzimidazole-Based Derivatives as Apoptotic Antiproliferative Agents: Design, Synthesis, Docking, and Mechanistic Studies
by Bahaa G. M. Youssif, Martha M. Morcoss, Stefan Bräse, Mohamed Abdel-Aziz, Hamdy M. Abdel-Rahman, Dalal A. Abou El-Ella and El Shimaa M. N. Abdelhafez
Molecules 2024, 29(2), 446; https://doi.org/10.3390/molecules29020446 - 16 Jan 2024
Cited by 6 | Viewed by 2350
Abstract
A new class of benzimidazole-based derivatives (4aj, 5, and 6) with potential dual inhibition of EGFR and BRAFV600E has been developed. The newly synthesized compounds were submitted for testing for antiproliferative activity against the NCI-60 cell [...] Read more.
A new class of benzimidazole-based derivatives (4aj, 5, and 6) with potential dual inhibition of EGFR and BRAFV600E has been developed. The newly synthesized compounds were submitted for testing for antiproliferative activity against the NCI-60 cell line. All newly synthesized compounds 4aj, 5, and 6 were selected for testing against a panel of sixty cancer cell lines at a single concentration of 10 µM. Some compounds tested demonstrated remarkable antiproliferative activity against the cell lines tested. Compounds 4c, 4e, and 4g were chosen for five-dose testing against 60 human tumor cell lines. Compound 4c demonstrated strong selectivity against the leukemia subpanel, with a selectivity ratio of 5.96 at the GI50 level. The most effective in vitro anti-cancer assay derivatives (4c, 4d, 4e, 4g, and 4h) were tested for EGFR and BRAFV600E inhibition as potential targets for antiproliferative action. The results revealed that compounds 4c and 4e have significant antiproliferative activity as dual EGFR/BRAFV600E inhibitors. Compounds 4c and 4e induced apoptosis by increasing caspase-3, caspase-8, and Bax levels while decreasing the anti-apoptotic Bcl2 protein. Moreover, molecular docking studies confirmed the potential of compounds 4c and 4e to act as dual EGFR/BRAFV600E inhibitors. Full article
(This article belongs to the Section Bioorganic Chemistry)
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<p>Structures of compounds <b>1</b>–<b>4</b>.</p>
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<p>Structures of new targets <b>4a</b>–<b>j</b>, <b>5</b>, and <b>6</b>.</p>
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<p>Dose–response curves for all cell lines for compound <b>4c</b>.</p>
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<p>Dose–response curves for all cell lines for compound <b>4e</b>.</p>
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<p>Dose–response curves for all cell lines for compound <b>4g</b>.</p>
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<p>(<b>A</b>) 2D interaction, (<b>B</b>) 3D interaction of erlotinib inside EGFR binding pocket.</p>
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<p>(<b>A</b>) 2D interaction, (<b>B</b>) 3D interaction of <b>4c</b> inside EGFR binding pocket.</p>
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<p>(<b>A</b>) 2D interaction, (<b>B</b>) 3D interaction of <b>4e</b> inside EGFR binding pocket.</p>
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<p>(<b>A</b>) 2D interaction, (<b>B</b>) 3D interaction of vemurafenib inside BRAF<sup>V600</sup> binding pocket.</p>
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<p>(<b>A</b>) 2D interaction, (<b>B</b>) 3D interaction of <b>4c</b> inside BRAF<sup>V600</sup> binding pocket.</p>
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<p>(<b>A</b>) 2D interaction, (<b>B</b>) 3D interaction of <b>4e</b> inside BRAF<sup>V600</sup> binding pocket.</p>
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<p>Synthetic steps for compounds <b>4a</b>–<b>j</b>, <b>5</b>, and <b>6</b>.</p>
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21 pages, 1849 KiB  
Article
Impacts of Geographical Indications on Agricultural Growth and Farmers’ Income in Rural China
by Xiaoyu Yin, Jia Li, Jingyi Wu, Ruihan Cao, Siqian Xin and Jianxu Liu
Agriculture 2024, 14(1), 113; https://doi.org/10.3390/agriculture14010113 - 10 Jan 2024
Cited by 6 | Viewed by 3833
Abstract
Geographical indications (GIs) mitigate information asymmetry in agri-food transactions by providing consumers with origin and quality information. This paper explores the impact of GIs on rural development in China by examining agricultural output and farmers’ income. Utilizing a large county-level dataset and comprehensive [...] Read more.
Geographical indications (GIs) mitigate information asymmetry in agri-food transactions by providing consumers with origin and quality information. This paper explores the impact of GIs on rural development in China by examining agricultural output and farmers’ income. Utilizing a large county-level dataset and comprehensive official GI information, this study estimates the impact of GIs on agricultural output and rural income using panel-fixed-effects models. The results reveal that GIs significantly boost agricultural added value and rural per capita disposable income. A series of methods, including difference-in-differences, propensity score matching with difference-in-differences, and double machine learning combined with difference-in-differences using random forests verify the robustness of the results. Moreover, by categorizing GIs based on product types, the analysis reveals heterogeneous effects of different GI categories on agricultural growth and income gains for farmers. The research findings in this paper offer valuable insights to inform policymaking aimed at advancing rural development, raising farmers’ incomes, and promoting sustainable agri-food supply chains. Full article
(This article belongs to the Special Issue Application of Machine Learning and Data Analysis in Agriculture)
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<p>(<b>a</b>) Scatter plot of geographical indication cumulative acquisition and agricultural added value. (<b>b</b>) Scatter plot of geographical indication cumulative acquisition and rural per capita disposable income.</p>
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<p>(<b>a</b>) Parallel trends plot for agricultural added value. (<b>b</b>) Parallel trends plot for rural per capita disposable income.</p>
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<p>(<b>a</b>) Placebo test for agricultural added value. (<b>b</b>) Placebo test for rural per capita disposable income. The red circles in the figure are the frequencies corresponding to the estimated values, and the dark curves are the normal distribution curves based on the estimated means and standard deviations.</p>
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<p>(<b>a</b>) Covariate balance checks for agricultural added value. (<b>b</b>) Covariate balance checks for rural per capita disposable income. (<b>c</b>) Common support checks for agricultural added value. (<b>d</b>) Common support checks for rural per capita disposable income. The off support samples make up about 0.06% of the whole sample, making them unnoticeable in the figures.</p>
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<p>(<b>a</b>) Covariate balance checks for agricultural added value. (<b>b</b>) Covariate balance checks for rural per capita disposable income. (<b>c</b>) Common support checks for agricultural added value. (<b>d</b>) Common support checks for rural per capita disposable income. The off support samples make up about 0.06% of the whole sample, making them unnoticeable in the figures.</p>
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