Search results for "kyy"
showing 10 items of 296 documents
Two (E)-2-({[4-(dialkylamino)phenyl]- imino}methyl)-4-nitrophenols
2012
The slow evaporation of analytical NMR samples resulted in the formation of crystals of (E)-2-({[4-(dimethylamino)phenyl]imino}methyl)-4-nitrophenol, C15H15N3O3, (I), and (E)-2-({[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol, C17H19N3O3, (II). Despite the small structural difference between these two N-salicylideneaniline derivatives, they show different space groups and diverse molecular packing. The molecules of both compounds are close to being planar due to an intramolecular O-H...N hydrogen bond. The 4-alkylamino-substituted benzene ring is inclined at an angle of 13.44 (19)° in (I) and 2.57 (8)° in (II) with respect to the 4-nitro-substituted phenol ring. Only very…
The Role of Perceived Social Support as a Contributor to the Successful Transition from Primary to Lower Secondary School
2019
Following approximately 1,800 Finnish children, this longitudinal study examined the associations between students’ perceived social support (teacher-student relationships, family support, and peer support), behavioral engagement, cynicism towards school, and academic achievement during the transition from primary to lower secondary school. After controlling for parental educational level and cynicism before the school transition, the results showed that the more students experienced pre-transition peer support, the less they reported post-transition cynicism. Furthermore, pre-transition peer support contributed to students’ increased academic achievement and behavioral engagement after the…
The Essence of Dynamic Capabilities and their Measurement
2018
The growing popularity of explaining firm performance through dynamic capabilities has motivated plenty of conceptual development in the field. However, empirical approaches to measuring dynamic capabilities have so far not been under comprehensive scrutiny. The authors; purpose is to assess the extent to which different ways of measuring dynamic capabilities in quantitative studies correspond to the theoretical essence of the concept, and develop recommendations for future research. They find that four types of operationalizations have been used: (1) managers’ evaluations; (2) financial data; (3) company's experience, actions and performance; and (4) managers’ or employees’ experience, act…
Consistency of Targeted Metatranscriptomics and Morphological Characterization of Phytoplankton Communities
2020
The composition of phytoplankton community is the basis for environmental monitoring and assessment of the ecological status of aquatic ecosystems. Community composition studies of phytoplankton have been based on time-consuming and expertise-demanding light microscopy analyses. Molecular methods have the potential to replace microscopy, but the high copy number variation of ribosomal genes and the lack of universal primers for simultaneous amplification of prokaryotic and eukaryotic genes complicate data interpretation. In this study, we used our previously developed directional primer-independent high-throughput sequencing (HTS) approach to analyze 16S and 18S rRNA community structures. C…
Teachers’ Focus of Attention in First-grade Classrooms: Exploring Teachers Experiencing Less and More Stress Using Mobile Eye-tracking
2021
This study investigated teachers’ focus of attention and stress in first-grade classrooms. Teachers’ (n = 53) focus of attention was recorded in fall and spring with a mobile eye-tracking device, and the teachers reported stress via questionnaires. Correlation analysis was used to examine association between teacher stress (exhaustion, cynicism, and inadequacy) and focus of attention. Then, one teacher reporting more stress and one reporting less stress were selected for a case study to examine variations in their focus of attention. The results showed positive associations between teachers’ perceived inadequacy and overall focus of attention (whole eye-tracking recording) both in fall and …
Molecular docking and oxidation kinetics of 3-phenyl coumarin derivatives by human CYP2A13
2021
CYP2A13 enzyme is expressed in human extrahepatic tissues, while CYP2A6 is a hepatic enzyme. Reactions catalysed by CYP2A13 activate tobacco-specific nitrosamines and some other toxic xenobiotics in lungs.To compare oxidation characteristics and substrate-enzyme active site interactions in CYP2A13 vs CYP2A6, we evaluated CYP2A13 mediated oxidation characteristics of 23 coumarin derivatives and modelled their interactions at the enzyme active site.CYP2A13 did not oxidise six coumarin derivatives to corresponding fluorescent 7-hydroxycoumarins. The Km-values of the other coumarins varied 0.85���97 ��M, Vmax-values of the oxidation reaction varied 0.25���60 min���1, and intrinsic clearance var…
A Practical Perspective : The Effect of Ligand Conformers on the Negative Image-Based Screening
2019
Negative image-based (NIB) screening is a rigid molecular docking methodology that can also be employed in docking rescoring. During the NIB screening, a negative image is generated based on the target protein’s ligand-binding cavity by inverting its shape and electrostatics. The resulting NIB model is a drug-like entity or pseudo-ligand that is compared directly against ligand 3D conformers, as is done with a template compound in the ligand-based screening. This cavity-based rigid docking has been demonstrated to work with genuine drug targets in both benchmark testing and drug candidate/lead discovery. Firstly, the study explores in-depth the applicability of different ligand 3D conformer…
What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster?
2023
The water-soluble glutathione-protected [Au25(GSH)18]−1 nanocluster was investigated by integrating several methodologies such as molecular dynamics simulations, essential dynamics analysis, and state-of-the-art time-dependent density functional theory calculations. Fundamental aspects such as conformational, weak interactions and solvent effects, especially hydrogen-bonds, were included and found to play a fundamental role in assessing the optical response of this system. Our analysis demonstrated not only that the electronic circular dichroism is extremely sensitive to the solvent presence but also that the solvent itself plays an active role in the optical activity of such system, formin…
Small molecule modulators of amine oxidation, nuclear receptor signaling and glucuronidation : 3-phenylcoumarin as a scaffold of interest
2018
The costs of the drug development process are moderated as computer-aided drug design methods are able to expedite the steps required for lead identification. In fact, computational tools are nowadays virtually indispensable from target identification and validation to preclinical tests due to exponential growth of available information regarding both potential targets and small molecules. One such small molecule with growing number of variations is coumarin. Coumarin scaffold and its various derivatives continue to interest researchers for their vast application potential. Since naturally occurring coumarins are known for example for their antioxidant and anti-inflammatory properties, thos…
Review of the 10 Most Challengings Aspects of Making Hybrid Education Efficient and Enjoyable for Learners
2022
Our goal was to describe the 10 most challenging aspects that need to be considered when making hybrid education efficient and enjoyable for children. In this context, by hybrid education we refer to both emergency online education that took place in the COVID-19 outbreak in spring 2020 and to various forms of providing education combining online and onsite environments during the pandemic years. nonPeerReviewed