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  • Energy Research
  • 2021-2025
  • 3. Good health
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Haiyan Liu; Jaeyoung Lee;

    The COVID-19 pandemic has tremendously affected the whole of human society worldwide. Travel patterns have greatly changed due to the increased risk perception and the governmental interventions regarding COVID-19. This study aimed to identify contributing factors to the changes in public and private transportation mode choice behavior in China after COVID-19 based on an online questionnaire survey. In the survey, travel behaviors in three periods were studied: before the outbreak (before 27 December 2019), the peak (from 20 January to 17 March 2020), and after the peak (from 18 March to the date of the survey). A series of random-parameter bivariate Probit models was developed to quantify the relationship between individual characteristics and the changes in travel mode choice. The key findings indicated that individual sociodemographic characteristics (e.g., gender, age, ownership, occupation, residence) have significant effects on the changes in mode choice behavior. Other key findings included (1) a higher propensity to use a taxi after the peak compared to urban public transportation (i.e., bus and subway); (2) a significant impact of age on the switch from public transit to private car and two-wheelers; (3) more obvious changes in private car and public transportation modes in more developed cities. The findings from this study are expected to be useful for establishing partial and resilient policies and ensuring sustainable mobility and travel equality in the post-pandemic era.

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    Sustainability
    Article . 2023 . Peer-reviewed
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Sustainability
    Article . 2023
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Sustainabilityarrow_drop_down
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      Sustainability
      Article . 2023 . Peer-reviewed
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    Authors: David Caldevilla-Domínguez; Almudena Barrientos-Báez; Graciela Padilla-Castillo;

    The social confinement resulting from the COVID-19 crisis temporarily reduced greenhouse gas emissions. Although experts contend that the decrease in pollution rates was not drastic, some surveys detect growth in social concern about the climate. In this new climate-conscious environment, municipalities and local governments are promoting a new way of living and caring for cities, even before they can regain national and international freedom of movement. This work analyzes the connections between new climate awareness arising from the COVID-19 crisis, proposals of sustainable citizenship around the world, and its communication on Twitter to educate the new eco-conscious audience. The methodology mixes quantitative and qualitative analysis, using the Twitonomy Premium tool and the Twitter research tool with data extracted at the end of December 2020. Among the top ten most influential and active accounts, the results show educational institutions, local institutions, companies, neighborhoods, associations, and influencers. The impossibility of living in the city has not prevented citizen education and commitment to make real change for when that city and its citizens return to normality. However, this new normality must be different: more ecological, more responsible, more sustainable, and practiced from early childhood.

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    Sustainability
    Article . 2021 . Peer-reviewed
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      Sustainability
      Article . 2021 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Farrukh Baig; Konstantinos Kirytopoulos; Jaeyoung Lee; Evangelos Tsamilis; +2 Authors

    The lockdown and social distancing policies to reduce COVID-19 spread and perceived safety threats of COVID-19 significantly affected people’s travel behavior. Greece has been suffering from the COVID-19 pandemic, and people’s mobility behavior has been greatly affected. This study aims at: (1) exploring the variations in individuals’ trip frequencies by mode and purpose before and after the COVID-19 outbreak; (2) understanding the effects of individual differences (i.e., sociodemographic details) and perceptions towards COVID-19 (i.e., the perceived threats of COVID-19) on people’s mobility behavior changes after the outbreak; (3) underlining the individuals’ perceptions of the COVID-19 threat on the willingness of public transportation usage. Overall, 403 responses were collected in late 2020. A series of random parameter Probit modeling results reveal multiple individual and perception factors affecting the changes in mobility behavior in Greece. The results from structural equation modeling indicate that perceived COVID-19 threats affect the attitudes and subjective norms towards people’s intentions to use public transportation. The results from this study provide valuable insights for transportation authorities to develop effective strategies to manage traffic during the spread of disease for a possible future epidemic.

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    Sustainability
    Article . 2022 . Peer-reviewed
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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    Article . 2022
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Sustainabilityarrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      Sustainability
      Article . 2022 . Peer-reviewed
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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  • Authors: Dan Han; Jianjun Tan; Jingrui Men; Chunhua Li; +1 Authors

    Background: HIV-1 protease inhibitor (PIs) is a good choice for AIDS patients. Nevertheless, for PIs, there are several bugs in clinical application, like drug resistance, the large dose, the high costs and so on, among which, the poor pharmacokinetics property is one of the important reasons that leads to the failure of its clinical application. Objective: We aimed to build computational models for studying the relationship between PIs structure and its pharmacological activities. Methods: We collected experimental values of koff/Ki and structures of 50 PIs through a careful literature and database search. Quantitative structure activity/pharmacokinetics relationship (QSAR/QSPR) models were constructed by support vector machine (SVM), partial-least squares regression (PLSR) and back-propagation neural network (BPNN). Results: For QSAR models, SVM, PLSR and BPNN all generated reliable prediction models with the r2 of 0.688, 0.768 and 0.787, respectively, and r2pred of 0.748, 0.696 and 0.640, respectively. For QSPR models, the optimum models of SVM, PLSR and BPNN obtained the r2 of 0.952, 0.869 and 0.960, respectively, and the r2pred of 0.852, 0.628 and 0.814, respectively. Conclusion: Among these three modelling methods, SVM showed superior ability than PLSR and BPNN both in QSAR/QSPR modelling of PIs, thus, we suspected that SVM was more suitable for predicting activities of PIs. In addition, 3D-MoRSE descriptors may have a tight relationship with the Ki values of PIs, and the GETAWAY descriptors have significant influence on both koff and Ki in PLSR equations.

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  • image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Authors: Shen, Yafei;

    Volatile organic compounds (VOCs) can lead to environmental pollution and threaten human health due to their toxic and carcinogenic nature. The emission of VOCs increases dramatically with the accelerated industrialization and economic growth. Adsorption is identified as one of the most promising recovery technologies owing to its cost-effectiveness, flexible operation, and low energy consumption. In particular, adsorption-based technologies have a high potential to recycle both adsorbents and adsorbates, typically to capture valuable aromatic VOCs from industrial exhaust. Porous materials such as carbon-based materials, zeolite-based materials, and organic polymers and their composites have been extensively developed for VOCs adsorption focusing in adsorption capacity, hydrophobic property, thermal stability and regenerability. Among them, porous carbons as VOCs adsorbents have attracted increasingly attention, because they can be regulated by tuning the pore structure for VOCs accessibility during the adsorption process. Moreover, porous carbons can adsorb target VOCs by controlling the pore structure and surface functional groups. Significantly, the pore size distribution of porous carbons mostly controls the VOCs sorption process. Micropores provide the main adsorption sites, while mesopores enhance the diffusion of VOCs. In this review, the adsorption mechanism of VOCs onto porous carbons was generally concluded. Porous carbons can be designed as a specific structure for adsorption of aromatic VOCs by controlling the pore structure, hydrophobic sites, π-electronic structure, and surface functional groups. Since there are limited review literatures on porous carbons derived from renewable resources for VOCs adsorption, this paper will provide an overview on the synthesis of porous carbons from biomass and other organic wastes for VOCs adsorption or integrated oxidation processes (e.g., photocatalysis, non-thermal plasma catalysis, chemical catalysis) under ambient conditions with the objective of guiding ...

    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Fuelarrow_drop_down
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    Fuel
    Article . 2023 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Fuelarrow_drop_down
      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Fuel
      Article . 2023 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Chenxing Zhou; Jingya Yang; Congde Huo; Yong Yuan; +3 Authors

    Correction for ‘Photocatalyzed redox-neutral decarboxylative alkylation of heteroaryl methanamines’ by Pengfei Niu et al., Green Chem., 2021, 23, 774–779, DOI: 10.1039/D0GC04094K.

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    Green Chemistry
    Article . 2021 . Peer-reviewed
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    Green Chemistry
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      Green Chemistry
      Article . 2021 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Jing-Ting Zhang; Min-Feng Wu; Ming-Hua Ma; Liang Zhao; +3 Authors

    Abstract Background Diabetic ulcer is a common complication of diabetes. It is characterized by a long-term disease course and high recurrence rate. Shengji Huayu Formula (SHF) is an effective formula for treating diabetic ulcers. However, the specific effective parts of SHF remain unclear. Clarifying the active polar site of SHF would be helpful to refine research on the components in SHF that promote wound healing. This research aims to focus on evaluating the activity of polar fractions. Methods A diabetic rat model was established by intraperitoneally injecting streptozotocin (STZ) and was adopted to confirm the therapeutic effect of SHF. Four different polarity parts were extracted from SHF and prepared into a cream to evaluate the activity. High-performance liquid chromatography (HPLC) was used to detect chemical constituents in chloroform extracts. Results It was discovered that dracorhodin, aloe-emodin, rhein, imperatorin, emodin, isoimperatorin, chrysophanol, physcion, and tanshinone IIA were the main components of the chloroform extract from SHF. The results revealed that chloroform extract could effectively accelerate diabetic wound healing by promoting collagen regeneration and epidermal repair. Chloroform extract of SHF could stimulate the generation of vascular endothelial growth factor (VEGF). The results are also indicated that the effective active fraction was the chloroform part, and the method of detecting the main chemical constituents in the active part was successfully established. Conclusion SHF could improve diabetic ulcers by promoting granulation tissue synthesis. In this study, four polar parts (petroleum ether, chloroform, ethylacetate, n-butanol) were extracted from a 95% ethanol extract. In contrast, chloroform polar parts showed a higher wound closure rate, stimulated more collagen regeneration and promoted more production of vascular endothelial cells. In conclusion, the chloroform extract of SHF was the effective polar part in ameliorating diabetic wound healing.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ BMC Complementary Me...arrow_drop_down
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    BMC Complementary Medicine and Therapies
    Article . 2023 . Peer-reviewed
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      BMC Complementary Medicine and Therapies
      Article . 2023 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Hui Xu; Wei Pan; Meng Xin; Cheng Hu; +3 Authors

    Environmental pollution damages public health and affects economic development. Environmental regulation is the main way for the government to solve environmental pollution. So what type of environmental regulation works better for public health and economic development? Can environmental regulation have an influence on economic development through public health? To solve these problems, this research uses China’s provincial panel data from 2013 to 2017 to divide environmental regulation into command-control policy tools and economic incentive policy tools and uses the mediating effect model to examine the relationship among environmental regulation, public health and economic development. The results show that: (1) There is a positive correlation between economic incentive policy tools and economic development; while no significant relationship between command-control policy tools and economic development is founded; (2) The relationship between command-control policy tools and public health is not significant, while the relationship between economic incentive policy tools and public health is positive; (3) Public health does not play a mediating role between command-control policy tools and economic development but plays a partial mediating role between economic incentive policy tools and economic development. Therefore, the government should strengthen the use of economic incentive policy tools to promote public health and sustainable economic development.

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    Energies
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    Energies
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      Energies
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      Energies
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Cunqi Han; Liqun Liu; Siyu Chen;

    Since the COVID-19 outbreak, online learning has become the norm. Primary school students require parental assistance and supervision due to their lack of digital media capabilities and safety concerns. This study uses the mixed research method to process and analyze the interview data of 10 primary school parents and 564 questionnaire data using topic coding and partial least squares structural equation model (PLS-SEM) to explore the factors influencing primary school parents’ choice of online learning and the mechanism of these factors on choice intention. The results show that online learning continuity and learning attitude development risk are two new variables affecting parents’ cognition of online learning. They have a significant positive impact on performance evaluation and risk perception. Perceived ease of use, performance evaluation, and perceived cost affect parents’ assessment of their children’s satisfaction with online learning during the pandemic. Parents’ satisfaction with online learning positively affects their intention to choose online learning. The results of this study can provide a reference for education departments and schools on how to carry out online teaching with higher quality in case of emergencies.

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    Sustainability
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      Sustainability
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Xiaohong Liu;

    This study explores the impacts of environmental pollution and the digital economy on the new energy industry with panel data on 30 Chinese provinces from 2005 to 2020. Mean group regression was performed, and fully modified OLS and dynamic OLS were conducted to check the robustness of the results. The authors reached two conclusions: (1) environmental pollution exerts significant negative impacts on the new energy industry. For every 1% increase in environmental pollution, the level of development of the new energy industry drops by 0.1658%. In other words, environmental pollution levels down the new energy industry. (2) The digital economy produces significant positive impacts on the new energy industry. For every 1% increase in the digital economy, the level of development of the new energy industry rises by 0.4262%. That is, the digital economy levels up the new energy industry. Our policy recommendations place equal stress on both the prevention and the control of environmental pollution, strengthening digital infrastructure, enhancing the government’s digital governance and service capabilities, protecting consumer rights, and replacing conventional energy with new energy.

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    Sustainability
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Haiyan Liu; Jaeyoung Lee;

    The COVID-19 pandemic has tremendously affected the whole of human society worldwide. Travel patterns have greatly changed due to the increased risk perception and the governmental interventions regarding COVID-19. This study aimed to identify contributing factors to the changes in public and private transportation mode choice behavior in China after COVID-19 based on an online questionnaire survey. In the survey, travel behaviors in three periods were studied: before the outbreak (before 27 December 2019), the peak (from 20 January to 17 March 2020), and after the peak (from 18 March to the date of the survey). A series of random-parameter bivariate Probit models was developed to quantify the relationship between individual characteristics and the changes in travel mode choice. The key findings indicated that individual sociodemographic characteristics (e.g., gender, age, ownership, occupation, residence) have significant effects on the changes in mode choice behavior. Other key findings included (1) a higher propensity to use a taxi after the peak compared to urban public transportation (i.e., bus and subway); (2) a significant impact of age on the switch from public transit to private car and two-wheelers; (3) more obvious changes in private car and public transportation modes in more developed cities. The findings from this study are expected to be useful for establishing partial and resilient policies and ensuring sustainable mobility and travel equality in the post-pandemic era.

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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: David Caldevilla-Domínguez; Almudena Barrientos-Báez; Graciela Padilla-Castillo;

    The social confinement resulting from the COVID-19 crisis temporarily reduced greenhouse gas emissions. Although experts contend that the decrease in pollution rates was not drastic, some surveys detect growth in social concern about the climate. In this new climate-conscious environment, municipalities and local governments are promoting a new way of living and caring for cities, even before they can regain national and international freedom of movement. This work analyzes the connections between new climate awareness arising from the COVID-19 crisis, proposals of sustainable citizenship around the world, and its communication on Twitter to educate the new eco-conscious audience. The methodology mixes quantitative and qualitative analysis, using the Twitonomy Premium tool and the Twitter research tool with data extracted at the end of December 2020. Among the top ten most influential and active accounts, the results show educational institutions, local institutions, companies, neighborhoods, associations, and influencers. The impossibility of living in the city has not prevented citizen education and commitment to make real change for when that city and its citizens return to normality. However, this new normality must be different: more ecological, more responsible, more sustainable, and practiced from early childhood.

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    Authors: Farrukh Baig; Konstantinos Kirytopoulos; Jaeyoung Lee; Evangelos Tsamilis; +2 Authors

    The lockdown and social distancing policies to reduce COVID-19 spread and perceived safety threats of COVID-19 significantly affected people’s travel behavior. Greece has been suffering from the COVID-19 pandemic, and people’s mobility behavior has been greatly affected. This study aims at: (1) exploring the variations in individuals’ trip frequencies by mode and purpose before and after the COVID-19 outbreak; (2) understanding the effects of individual differences (i.e., sociodemographic details) and perceptions towards COVID-19 (i.e., the perceived threats of COVID-19) on people’s mobility behavior changes after the outbreak; (3) underlining the individuals’ perceptions of the COVID-19 threat on the willingness of public transportation usage. Overall, 403 responses were collected in late 2020. A series of random parameter Probit modeling results reveal multiple individual and perception factors affecting the changes in mobility behavior in Greece. The results from structural equation modeling indicate that perceived COVID-19 threats affect the attitudes and subjective norms towards people’s intentions to use public transportation. The results from this study provide valuable insights for transportation authorities to develop effective strategies to manage traffic during the spread of disease for a possible future epidemic.

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    Sustainability
    Article . 2022 . Peer-reviewed
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  • Authors: Dan Han; Jianjun Tan; Jingrui Men; Chunhua Li; +1 Authors

    Background: HIV-1 protease inhibitor (PIs) is a good choice for AIDS patients. Nevertheless, for PIs, there are several bugs in clinical application, like drug resistance, the large dose, the high costs and so on, among which, the poor pharmacokinetics property is one of the important reasons that leads to the failure of its clinical application. Objective: We aimed to build computational models for studying the relationship between PIs structure and its pharmacological activities. Methods: We collected experimental values of koff/Ki and structures of 50 PIs through a careful literature and database search. Quantitative structure activity/pharmacokinetics relationship (QSAR/QSPR) models were constructed by support vector machine (SVM), partial-least squares regression (PLSR) and back-propagation neural network (BPNN). Results: For QSAR models, SVM, PLSR and BPNN all generated reliable prediction models with the r2 of 0.688, 0.768 and 0.787, respectively, and r2pred of 0.748, 0.696 and 0.640, respectively. For QSPR models, the optimum models of SVM, PLSR and BPNN obtained the r2 of 0.952, 0.869 and 0.960, respectively, and the r2pred of 0.852, 0.628 and 0.814, respectively. Conclusion: Among these three modelling methods, SVM showed superior ability than PLSR and BPNN both in QSAR/QSPR modelling of PIs, thus, we suspected that SVM was more suitable for predicting activities of PIs. In addition, 3D-MoRSE descriptors may have a tight relationship with the Ki values of PIs, and the GETAWAY descriptors have significant influence on both koff and Ki in PLSR equations.

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    Authors: Shen, Yafei;

    Volatile organic compounds (VOCs) can lead to environmental pollution and threaten human health due to their toxic and carcinogenic nature. The emission of VOCs increases dramatically with the accelerated industrialization and economic growth. Adsorption is identified as one of the most promising recovery technologies owing to its cost-effectiveness, flexible operation, and low energy consumption. In particular, adsorption-based technologies have a high potential to recycle both adsorbents and adsorbates, typically to capture valuable aromatic VOCs from industrial exhaust. Porous materials such as carbon-based materials, zeolite-based materials, and organic polymers and their composites have been extensively developed for VOCs adsorption focusing in adsorption capacity, hydrophobic property, thermal stability and regenerability. Among them, porous carbons as VOCs adsorbents have attracted increasingly attention, because they can be regulated by tuning the pore structure for VOCs accessibility during the adsorption process. Moreover, porous carbons can adsorb target VOCs by controlling the pore structure and surface functional groups. Significantly, the pore size distribution of porous carbons mostly controls the VOCs sorption process. Micropores provide the main adsorption sites, while mesopores enhance the diffusion of VOCs. In this review, the adsorption mechanism of VOCs onto porous carbons was generally concluded. Porous carbons can be designed as a specific structure for adsorption of aromatic VOCs by controlling the pore structure, hydrophobic sites, π-electronic structure, and surface functional groups. Since there are limited review literatures on porous carbons derived from renewable resources for VOCs adsorption, this paper will provide an overview on the synthesis of porous carbons from biomass and other organic wastes for VOCs adsorption or integrated oxidation processes (e.g., photocatalysis, non-thermal plasma catalysis, chemical catalysis) under ambient conditions with the objective of guiding ...

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    Fuel
    Article . 2023 . Peer-reviewed
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      Fuel
      Article . 2023 . Peer-reviewed
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    Authors: Chenxing Zhou; Jingya Yang; Congde Huo; Yong Yuan; +3 Authors

    Correction for ‘Photocatalyzed redox-neutral decarboxylative alkylation of heteroaryl methanamines’ by Pengfei Niu et al., Green Chem., 2021, 23, 774–779, DOI: 10.1039/D0GC04094K.

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    Green Chemistry
    Article . 2021 . Peer-reviewed
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    Authors: Jing-Ting Zhang; Min-Feng Wu; Ming-Hua Ma; Liang Zhao; +3 Authors

    Abstract Background Diabetic ulcer is a common complication of diabetes. It is characterized by a long-term disease course and high recurrence rate. Shengji Huayu Formula (SHF) is an effective formula for treating diabetic ulcers. However, the specific effective parts of SHF remain unclear. Clarifying the active polar site of SHF would be helpful to refine research on the components in SHF that promote wound healing. This research aims to focus on evaluating the activity of polar fractions. Methods A diabetic rat model was established by intraperitoneally injecting streptozotocin (STZ) and was adopted to confirm the therapeutic effect of SHF. Four different polarity parts were extracted from SHF and prepared into a cream to evaluate the activity. High-performance liquid chromatography (HPLC) was used to detect chemical constituents in chloroform extracts. Results It was discovered that dracorhodin, aloe-emodin, rhein, imperatorin, emodin, isoimperatorin, chrysophanol, physcion, and tanshinone IIA were the main components of the chloroform extract from SHF. The results revealed that chloroform extract could effectively accelerate diabetic wound healing by promoting collagen regeneration and epidermal repair. Chloroform extract of SHF could stimulate the generation of vascular endothelial growth factor (VEGF). The results are also indicated that the effective active fraction was the chloroform part, and the method of detecting the main chemical constituents in the active part was successfully established. Conclusion SHF could improve diabetic ulcers by promoting granulation tissue synthesis. In this study, four polar parts (petroleum ether, chloroform, ethylacetate, n-butanol) were extracted from a 95% ethanol extract. In contrast, chloroform polar parts showed a higher wound closure rate, stimulated more collagen regeneration and promoted more production of vascular endothelial cells. In conclusion, the chloroform extract of SHF was the effective polar part in ameliorating diabetic wound healing.

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    BMC Complementary Medicine and Therapies
    Article . 2023 . Peer-reviewed
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    Authors: Hui Xu; Wei Pan; Meng Xin; Cheng Hu; +3 Authors

    Environmental pollution damages public health and affects economic development. Environmental regulation is the main way for the government to solve environmental pollution. So what type of environmental regulation works better for public health and economic development? Can environmental regulation have an influence on economic development through public health? To solve these problems, this research uses China’s provincial panel data from 2013 to 2017 to divide environmental regulation into command-control policy tools and economic incentive policy tools and uses the mediating effect model to examine the relationship among environmental regulation, public health and economic development. The results show that: (1) There is a positive correlation between economic incentive policy tools and economic development; while no significant relationship between command-control policy tools and economic development is founded; (2) The relationship between command-control policy tools and public health is not significant, while the relationship between economic incentive policy tools and public health is positive; (3) Public health does not play a mediating role between command-control policy tools and economic development but plays a partial mediating role between economic incentive policy tools and economic development. Therefore, the government should strengthen the use of economic incentive policy tools to promote public health and sustainable economic development.

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    Authors: Cunqi Han; Liqun Liu; Siyu Chen;

    Since the COVID-19 outbreak, online learning has become the norm. Primary school students require parental assistance and supervision due to their lack of digital media capabilities and safety concerns. This study uses the mixed research method to process and analyze the interview data of 10 primary school parents and 564 questionnaire data using topic coding and partial least squares structural equation model (PLS-SEM) to explore the factors influencing primary school parents’ choice of online learning and the mechanism of these factors on choice intention. The results show that online learning continuity and learning attitude development risk are two new variables affecting parents’ cognition of online learning. They have a significant positive impact on performance evaluation and risk perception. Perceived ease of use, performance evaluation, and perceived cost affect parents’ assessment of their children’s satisfaction with online learning during the pandemic. Parents’ satisfaction with online learning positively affects their intention to choose online learning. The results of this study can provide a reference for education departments and schools on how to carry out online teaching with higher quality in case of emergencies.

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      Article . 2022
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    Authors: Xiaohong Liu;

    This study explores the impacts of environmental pollution and the digital economy on the new energy industry with panel data on 30 Chinese provinces from 2005 to 2020. Mean group regression was performed, and fully modified OLS and dynamic OLS were conducted to check the robustness of the results. The authors reached two conclusions: (1) environmental pollution exerts significant negative impacts on the new energy industry. For every 1% increase in environmental pollution, the level of development of the new energy industry drops by 0.1658%. In other words, environmental pollution levels down the new energy industry. (2) The digital economy produces significant positive impacts on the new energy industry. For every 1% increase in the digital economy, the level of development of the new energy industry rises by 0.4262%. That is, the digital economy levels up the new energy industry. Our policy recommendations place equal stress on both the prevention and the control of environmental pollution, strengthening digital infrastructure, enhancing the government’s digital governance and service capabilities, protecting consumer rights, and replacing conventional energy with new energy.

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    Article . 2023 . Peer-reviewed
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    Article . 2023
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      Article . 2023 . Peer-reviewed
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      Article . 2023
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