| 1. |
- Pelikan, Elisabeth R., et al.
(author)
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Distance learning in higher education during COVID-19 : The role of basic psychological needs and intrinsic motivation for persistence and procrastination-a multi-country study
- 2021
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In: PLOS ONE. - : PLOS. - 1932-6203. ; 16:10
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Journal article (peer-reviewed)abstract
- Due to the COVID-19 pandemic, higher educational institutions worldwide switched to emergency distance learning in early 2020. The less structured environment of distance learning forced students to regulate their learning and motivation more independently. According to self-determination theory (SDT), satisfaction of the three basic psychological needs for autonomy, competence and social relatedness affects intrinsic motivation, which in turn relates to more active or passive learning behavior. As the social context plays a major role for basic need satisfaction, distance learning may impair basic need satisfaction and thus intrinsic motivation and learning behavior. The aim of this study was to investigate the relationship between basic need satisfaction and procrastination and persistence in the context of emergency distance learning during the COVID-19 pandemic in a cross-sectional study. We also investigated the mediating role of intrinsic motivation in this relationship. Furthermore, to test the universal importance of SDT for intrinsic motivation and learning behavior under these circumstances in different countries, we collected data in Europe, Asia and North America. A total of N = 15,462 participants from Albania, Austria, China, Croatia, Estonia, Finland, Germany, Iceland, Japan, Kosovo, Lithuania, Poland, Malta, North Macedonia, Romania, Sweden, and the US answered questions regarding perceived competence, autonomy, social relatedness, intrinsic motivation, procrastination, persistence, and sociodemographic background. Our results support SDT's claim of universality regarding the relation between basic psychological need fulfilment, intrinsic motivation, procrastination, and persistence. However, whereas perceived competence had the highest direct effect on procrastination and persistence, social relatedness was mainly influential via intrinsic motivation.
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| 2. |
- Wang, Meiting, et al.
(author)
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Unraveling the Binding Mode of Cyclic Adenosine–Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations
- 2024
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In: Molecules. - 1420-3049. ; 29:11
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Journal article (peer-reviewed)abstract
- The stimulator of interferon genes (STING) plays a significant role in immune defense and protection against tumor proliferation. Many cyclic dinucleotide (CDN) analogues have been reported to regulate its activity, but the dynamic process involved when the ligands activate STING remains unclear. In this work, all-atom molecular dynamics simulations were performed to explore the binding mode between human STING (hSTING) and four cyclic adenosine–inosine monophosphate analogs (cAIMPs), as well as 2′,3′-cGMP-AMP (2′,3′-cGAMP). The results indicate that these cAIMPs adopt a U-shaped configuration within the binding pocket, forming extensive non-covalent interaction networks with hSTING. These interactions play a significant role in augmenting the binding, particularly in interactions with Tyr167, Arg238, Thr263, and Thr267. Additionally, the presence of hydrophobic interactions between the ligand and the receptor further contributes to the overall stability of the binding. In this work, the conformational changes in hSTING upon binding these cAIMPs were also studied and a significant tendency for hSTING to shift from open to closed state was observed after binding some of the cAIMP ligands.
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| 3. |
- Xia, Lixin, et al.
(author)
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Visualized method of chemical enhancement mechanism on SERS and TERS
- 2014
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In: Journal of Raman Spectroscopy. - : Wiley. - 1097-4555 .- 0377-0486. ; 45:7, s. 533-540
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Research review (peer-reviewed)abstract
- We review our developed visualization method of charge transfer (CT) for chemical enhancement mechanism on surface-enhanced Raman scattering (SERS) and tip-enhanced Raman spectroscopy (TERS). Firstly, we describe our visualization method of charge difference density, which provides direct visual evidence for photoinduced CT. And then, using the visualization method of CT, we interpreted the mechanism of SERS and TERS. Photoinduced charge transfer in the processes of SERS and TERS can be clearly seen. Our visualization method provides a visual and easy understanding way for the mechanism of SERS and TERS. Copyright (C) 2014 John Wiley & Sons, Ltd.
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| 4. |
- Xu, Yongtao, et al.
(author)
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Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation
- 2022
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In: Molecules. - : MDPI AG. - 1420-3049. ; 27:23
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Journal article (peer-reviewed)abstract
- Lysine-specific demethylase 1 (LSD1) is a histone-modifying enzyme, which is a significant target for anticancer drug research. In this work, 40 reported tetrahydroquinoline-derivative inhibitors targeting LSD1 were studied to establish the three-dimensional quantitative structure–activity relationship (3D-QSAR). The established models CoMFA (Comparative Molecular Field Analysis (q2 = 0.778, (Formula presented.) = 0.709)) and CoMSIA (Comparative Molecular Similarity Index Analysis (q2 = 0.764, (Formula presented.) = 0.713)) yielded good statistical and predictive properties. Based on the corresponding contour maps, seven novel tetrahydroquinoline derivatives were designed. For more information, three of the compounds (D1, D4, and Z17) and the template molecule 18x were explored with molecular dynamics simulations, binding free energy calculations by MM/PBSA method as well as the ADME (absorption, distribution, metabolism, and excretion) prediction. The results suggested that D1, D4, and Z17 performed better than template molecule 18x due to the introduction of the amino and hydrophobic groups, especially for the D1 and D4, which will provide guidance for the design of LSD1 inhibitors.
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| 5. |
- Zhao, Yesi, et al.
(author)
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Deciphering the transfer of hydroclimate signals to tree-ring S18O 18 O using a proxy system model in East Asia's Meiyu region
- 2024
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In: CHEMICAL GEOLOGY. - 0009-2541 .- 1872-6836. ; 668
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Journal article (peer-reviewed)abstract
- The stable oxygen isotope ratios of whole tree-ring alpha-cellulose ( S 18 O WR ) have been interpreted as an indicator of early summer hydroclimate in the Meiyu region of East Asia. However, the underlying physical mechanism often remains unclear. Here we provide a mechanistic understanding through intra-annual tree-ring oxygen isotope analysis and process-based S 18 O WR modelling over the period 1979-2006. The selected tree species for analysis is Pinus taiwanensis, , whose S 18 O WR exhibit the strongest linear relationship with relative humidity (RH) in June. The results indicated that the June RH signal is predominantly contained in tree-ring earlywood rather than latewood. The strong response of S 18 O WR to June RH is not due to the legacy effect. Using the proxy system model (PSM) of S 18 O WR , we obtained a modeled S 18 O WR time series that is significantly positively correlated with the measured S 18 O WR time series. The modeled and measured S 18 O WR series show similar relationships with monthly RH. Sensitivity experiments with PSM revealed that the June RH signal is originated from the oxygen isotopes of source water and leaf water. Rapid cellulose formation in June plays a role in enhancing the June RH signal. Our study demonstrates how S 18 O WR record early summer hydroclimate signals from a process perspective, and that the PSM is effective in modelling the interannual S 18 O WR variability in the Meiyu region.
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