Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes

2019 ◽  
Vol 75 (4) ◽  
pp. 599-610
Author(s):  
Vasilios Duros ◽  
Constantina Papatriantafyllopoulou ◽  
Alexandros A. Kitos ◽  
Anastasios J. Tasiopoulos ◽  
Vassilios Nastopoulos
Keyword(s):  
Intermolecular Interactions ◽  
Self Assembly ◽  
Reaction System ◽  
Supramolecular Assembly ◽  
Positional Isomerism ◽  
Tetrahedral Complexes ◽  
The Individual ◽  
Individual Contact ◽  
The Impact ◽  
Insight Into

In a study to evaluate the impact of flexible positional isomeric ligands on the coordination geometry and self-assembly process of 3d metal complexes, the synthesis of eight new cobalt(II) complexes with the 2-phenylimidazole (LH) and 5-phenylimidazole (L′H) ligands has been carried out. A variety of parameters/conditions have been probed using the general CoII/X −/LH or L′H (X − = Cl−, Br−, I−, NO3 −, NCS−, ClO4 −, SO4 2−) reaction system. Interestingly, X-ray analyses reveal two distinct groups of complexes: reactions with LH only lead to tetrahedral or quasi-tetrahedral complexes {i.e. [CoCl2(LH)2] (1), [CoI2(LH)2] (2), [Co(NO3)2(LH)2] (3), [Co(NCS)2(LH)2] (4)}, whereas L′H favours octahedral coordination {i.e. [Co(L′H)4(MeCN)(H2O)]I2 (5), [Co(L′H)4(MeCN)(H2O)](NO3)2 (6) and [Co(NCS)2(L′H)4)]·2MeOH (7·2MeOH)}. A tetrahedral [Co(NCS)2(L′H)2)] (8) complex was also concurrently isolated with complex 7. The effects of the positional isomeric ligands LH and L′H and of the coordinated inorganic anions on the stoichiometry and packing arrangements of the complexes are thoroughly discussed. The supramolecular assembly is firmly directed, in all types of complexes, by robust N—H...X (X = Cl, I, O or S) motifs, leading to varying dimensionalities (1D, 2D or 3D) and packing arrangements. The formation of these motifs has been activated by choosing appropriate anions X, acting as terminal ligands or counterions. At a second level of organization, additional subordinate C—H...X (X = Cl, I, O or S), C—H...π and π...π intermolecular interactions complement the rigidity of the complexes' packing towards compact 3D assemblies. Hirshfeld surface analyses provided insight into the intermolecular interactions, allowed quantification of the individual contact types and comparison between the complexes.

scholarly journals Depression in the South African workplace

2016 ◽  
Vol 22 (1) ◽  
pp. 2
Author(s):  
Marthinus P. Stander ◽  
Margreet Bergh ◽  
Helen Elizabeth Miller-Janson ◽  
Janetta C. De Beer ◽  
Frans A. Korb
Keyword(s):  
South Africa ◽  
Work Environment ◽  
South African ◽  
Depression And Anxiety ◽  
The South ◽  
Anxiety Group ◽  
Prevalence Of Depression ◽  
The Individual ◽  
The Impact ◽  
Insight Into

Depression is a common psychiatric disorder and can be costly, having a significant impact on the individual and employers. The South African Depression and Anxiety Group (SADAG) in partnership with HEXOR, with the support of Lundbeck, undertook research into depression in the workplace, because South African information is not available on this topic. It provides insight into the prevalence of depression within the workplace in South Africa, as well as the impact of depression on the employees and employers in terms of sick leave and levels of productivity, especially when the symptoms include cognitive impairment. It is apparent that stigma plays a pivotal role in the reasons for non-disclosure to employers. It further highlights the magnitude of awareness, early detection and the provision of a holistic support system within the work environment, free from bias, to ensure that optimum benefit can be achieved for both employer and employee.

Temporal complexity in clinical manifestations of lung disease

2011 ◽  
Vol 110 (6) ◽  
pp. 1723-1731 ◽  
Author(s):  
Urs Frey ◽  
Geoffrey Maksym ◽  
Béla Suki
Keyword(s):  
Lung Function ◽  
Statistical Physics ◽  
Clinical Manifestations ◽  
Individual Risk ◽  
Fluctuation Analysis ◽  
Temporal Complexity ◽  
History Of ◽  
The Individual ◽  
The Impact ◽  
Insight Into

In this review, we summarize results of recent research on the temporal variability of lung function, symptoms, and inflammatory biomarkers. Specifically, we demonstrate how fluctuation analysis borrowed from statistical physics can be used to gain insight into neurorespiratory control and complex chronic dynamic diseases such as asthma viewed as a system of interacting components (e.g., inflammatory, immunological, and mechanical). Fluctuation analysis tools are based on quantifying the distribution and the short- and long-term temporal history of tidal breathing and lung function parameters to assess neurorespiratory control and monitor chronic disease. The latter includes the assessment of severity and disease control, the impact of treatment and environmental triggers, the temporal characterization of disease phenotypes, and the individual risk of exacerbation. While in many cases specific mechanistic insight into the fluctuations still awaits further research, appropriate analyses of the fluctuations already impact on clinical science and practice.

Hydrogen bonded supramolecular structures: a further insight into the diamine-diol recognition and self-assembly

2000 ◽  
Vol 78 (6) ◽  
pp. 723-731 ◽  
Author(s):  
Stefano Roelens ◽  
Paolo Dapporto ◽  
Paola Paoli
Keyword(s):  
Molecular Recognition ◽  
Gas Phase ◽  
Self Assembly ◽  
Supramolecular Assembly ◽  
Supramolecular Structures ◽  
Unique Role ◽  
X Ray ◽  
Molecular Code ◽  
Insight Into

A new H-bonded supramolecular assembly of the diamine-diol family has been obtained from (1R,2R)-1,2-diaminocyclohexane (DAC) and (S)-1-phenyl-1,2-ethanediol (PED). The structure was characterized by single-crystal X-ray analysis and showed the typical architecture of DAC based assemblies, consisting of a three-stranded helicate coiling around a H-bonded core, with a predictable helicity sense determined by the configuration of DAC. The new assembly, while reconfirming the unique role of DAC as a powerful assembler of supramolecular structures, demonstrated that the C2 symmetry of diol partners employed so far is not essential for assembling helicates, although chirality is. In the case of the adduct between (1R,2R)-1,2-diaminocyclohexane and (2R,3R)-2,3-butanediol, molecular recognition and self-assembly have been shown to take place even in the absence of solvent, in the gas phase, where long crystals were formed by spontaneous organized aggregation of diamine-diol units. A thorough analysis of the results from the present and previous investigations has lead to a deeper understanding of the key features of the diamine-diol molecular code and of the requirements for recognition and assembly.Key words: supramolecular, hydrogen bonding, molecular recognition, self-assembly, diamines, diols.

The impact of overeducated and undereducated workers on establishment-level productivity

2016 ◽  
Vol 37 (2) ◽  
pp. 372-392 ◽  
Author(s):  
Philipp Grunau
Keyword(s):  
Spillover Effects ◽  
Point Of View ◽  
Educational Mismatch ◽  
Content Type ◽  
Individual Level ◽  
Hr Management ◽  
The Individual ◽  
The Impact ◽  
Level Performance ◽  
Insight Into

Purpose – Many contributions to the educational mismatch literature address the productivity effects of both excess and deficit educational attainments for workers at the individual level. Due to the limited transferability of their results to establishment-level performance, especially when allowing for the possibility of spillover effects from mismatched workers to their well-matched colleagues, from an employer’s point of view, it is highly important to know the net effect of educationally mismatched employees on productivity at the establishment level. The paper aims to discuss these issues. Design/methodology/approach – This paper analyses the impact of overeducated and undereducated workers among an establishment’s workforce on its productivity, providing first representative evidence for Germany. Using linked employer-employee data from Germany, the author estimates dynamic panel production functions using a system GMM estimator. Findings – The author finds that undereducated workers among an establishment’s workforce impair its (establishment-level) productivity, implying that an establishment’s HR management should avoid the recruitment of undereducated workers, at least if they follow a short-term personnel policy. The effect for overeducated employees is also negative, albeit small and insignificant. Originality/value – The consideration of the phenomena of over and undereducation from the employer’s point of view provides further insight into the consequences of educational mismatch.

scholarly journals Density Functional Investigation of the Inclusion of Gold Clusters on a CH3S Self-Assembled Lattice on Au(111)

2016 ◽  
Vol 2016 ◽  
pp. 1-8
Author(s):  
Darnel J. Allen ◽  
Wayne E. Archibald ◽  
John A. Harper ◽  
John C. Saputo ◽  
Daniel Torres
Keyword(s):  
Self Assembly ◽  
Density Functional ◽  
Theoretical Calculations ◽  
The Self ◽  
Au Clusters ◽  
Self Assembled ◽  
Functional Investigation ◽  
Small Clusters ◽  
The Impact ◽  
Insight Into

We employ first-principles density functional theoretical calculations to address the inclusion of gold (Au) clusters in a well-packed CH3S self-assembled lattice. We compute CH3S adsorption energies to quantify the energetic stability of the self-assembly and gold adsorption and dissolution energies to characterize the structural stability of a series of Au clusters adsorbed at the SAM-Au interface. Our results indicate that the inclusion of Au clusters with less than four Au atoms in the SAM-Au interface enhances the binding of CH3S species. In contrast, larger Au clusters destabilize the self-assembly. We attribute this effect to the low-coordinated gold atoms in the cluster. For small clusters, these low-coordinated sites have significantly different electronic properties compared to larger islands, which makes the binding with the self-assembly energetically more favorable. Our results further indicate that Au clusters in the SAM-Au interface are thermodynamically unstable and they will tend to dissolve, producing Au adatoms incorporated in the self-assembly in the form of CH3S-Au-SCH3 species. This is due to the strong S-Au bond which stabilizes single Au adatoms in the self-assembly. Our results provide solid insight into the impact of adatom islands at the CH3S-Au interface.

scholarly journals A Qualitative Case Study: The Lived Educational Experiences of Former Juvenile Delinquents

2015 ◽  
Author(s):  
William Donges
Keyword(s):  
Lived Experiences ◽  
Causal Link ◽  
Delinquent Behaviors ◽  
Study Approach ◽  
Clear Insight ◽  
Juvenile Behavior ◽  
The Individual ◽  
The Impact ◽  
Insight Into

The impact of juvenile delinquency on society is an issue of great concern. The impact of delinquent behaviors goes beyond the victim to include the offender, the offender’s family and society as a whole. A review of the existing literature reveals multiple studies, which examine delinquency from a causal perspective. Despite the efforts of researchers a definitive causal link is not readily determined. Ethical concerns centering around a quantitative study on delinquency precludes the discovery of such a causal link. Utilizing a qualitative study approach we may not be able to identify causal relationships; however, this approach provides clear insight into the lived experiences of the individuals being studied and in turn offers us the possibility of understanding what these experiences were and how they possibly impacted the individual. It is through this understanding of the lived experiences that we gain insight. This insight will, hopefully, facilitate the prediction of and the mediation of anti-social juvenile behavior.

Teach Less and Learn More

2021 ◽  
Vol 2 (1) ◽  
pp. 29-42
Author(s):  
Ratneswary Rasiah ◽  
Sotheeswari Somasundram ◽  
Kelly Pei Leng Tee ◽  
Jason James Turner
Keyword(s):  
Instructional Technology ◽  
Learning Experience ◽  
Skills Gap ◽  
Policy Makers ◽  
Use Of Technology ◽  
Learning Development ◽  
The Individual ◽  
The Impact ◽  
Insight Into

This study aims to investigate the impact of assessments and instructional technology on a students' learning experience and the development of their graduate capabilities. In a disruptive employment market where there appears to be a mis-match between employer expectations and the graduate skill-set, the onus has fallen upon education providers to better align the capabilities taught in school with employer and employment market expectations. Using a survey-based approach to collect 118 responses, this research revealed the positive and significant roles played by assessments and technology in enhancing students' learning development of graduate capabilities, with the use of technology identified as the stronger influencer on student learning. The findings of this study are beneficial to educators and policy makers, providing insight into the individual and collective role of assessment(s) and embedding technology into the curriculum as means to address the skills gap which should inform further research into the graduate skills conundrum.

scholarly journals Use of a post-asynchronous online discussion assessment to enhance student critical thinking

2016 ◽  
Author(s):  
Chris Klisc ◽  
Tanya McGill ◽  
Valerie Hobbs
Keyword(s):  
Critical Thinking ◽  
Online Discussion ◽  
Tertiary Education ◽  
Thinking Skills ◽  
Critical Thinking Skills ◽  
Asynchronous Online Discussion ◽  
The Individual ◽  
The Impact ◽  
Education Courses ◽  
Insight Into

Asynchronous online discussion (AOD) is used in many tertiary education courses, and assessing it has been shown to enhance critical thinking outcomes. There has, however, been debate on what should be assessed and how the assessment should be implemented. The most common form of assessment involves grading the individual discussion contributions, but it has been suggested that employing a culminating task based on the AOD may be effective. This preliminary study compared the effect on student critical thinking of two approaches to AOD assessment: using a post-AOD assessment, and assessing the discussion contributions themselves. The results, though tentative, showed that while both assessment approaches resulted in significant improvements in student critical thinking, there was no difference in the impact on critical thinking skills between using the post-AOD assessment and assessing the discussion contributions. This result suggests that the form of assessment used in an AOD may be less important than the fact that assessment is included. Interviews with students also provided some insight into ways in which they perceived the discussion environment had contributed to their critical thinking skills. The findings of this study pave the way for further research in this important area.

‘ISeeYou’: A woman-centred care education and research project in Dutch bachelor midwifery education

2018 ◽  
Vol 77 (8) ◽  
pp. 899-914 ◽  
Author(s):  
Yvonne Fontein-Kuipers ◽  
Enja Romeijn ◽  
Arwen Zwijnenberg ◽  
Willemijn Eekhof ◽  
AnneLoes van Staa
Keyword(s):  
Higher Education ◽  
Reflective Practice ◽  
Participant Observation ◽  
Structured Interview ◽  
Observation Study ◽  
Research Activities ◽  
The Individual ◽  
The Impact ◽  
Insight Into ◽  
The Continuum

Objective: To examine how student midwives in higher education learn to become competent and confident woman-centred practitioners. Design: Participant observation study using a ‘buddy’ approach. Setting: Bachelor of Midwifery students in one higher education institution in the Netherlands Methods: First-year student midwives followed one woman throughout the continuum of childbirth. The students attended a minimum of five of the woman’s antenatal care encounters and a minimum of one postnatal care encounter. In addition, students explored the woman’s professional care network. Student midwives used participant observation, structured interview techniques and reflective practice to focus on (1) the woman and to gain insight into her wishes and experiences of care throughout the continuum of pregnancy, birth and postpartum period; (2) the impact of the caregiver on the woman; and (3) the woman’s experience of the partnership. Lectures, peer-debriefing, competency assessments, research activities and a logbook supported students’ learning. Results: Learning was achieved through the student’s relational continuity and active engagement with the individual woman. Students gained insight into the experiences of individual pregnant and postpartum women, the individual practice of healthcare practitioners and the interaction between the woman and the healthcare practitioner. Students’ development of critical thinking and reflective practice was enhanced to begin to form a vision of woman-centred care. Conclusion: The project was successful in equipping Bachelor of Midwifery students with competencies to support them in their learning of providing woman-centred care and offered them unique and in-depth experiences supporting and augmenting their personal, professional and academic development.

scholarly journals Hidden depths: diversity, difference and the High Court of Australia

2021 ◽  
pp. 1-18
Author(s):  
Rachel Cahill-O'Callaghan ◽  
Heather Roberts
Keyword(s):  
Decision Making ◽  
Demographic Information ◽  
Judicial Selection ◽  
High Court ◽  
The Individual ◽  
High Court Of Australia ◽  
The Impact ◽  
Official Information ◽  
Insight Into

Abstract There is a growing international emphasis on the importance of diversity in the judiciary and the impact of the individual in decision-making. However, it can be a challenge to gain insight into the individuals who sit on the bench. For instance, there is limited official information about the individuals who sit on the High Court of Australia. One of the rare glimpses provided by the justices themselves is their judicial swearing-in speech. Drawing on a case-study of the swearing-in speeches of High Court justices sitting between 2008 and 2016, this paper illustrates how these speeches can illuminate key demographic information about the judiciary, as well as facets of the individual rarely explored in studies of judicial diversity: personality and values. This study demonstrates how swearing-in speeches can assist with filling information gaps about judicial diversity, and so extend debates about judicial selection.

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