scholarly journals Computational Insight into the Rope-Skipping Isomerization of Diarylether Cyclophanes

Symmetry ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 2127
Author(s):  
Thomas J. Summers ◽  
Hrishikesh Tupkar ◽  
Tyler M. Ozvat ◽  
Zoë Tregillus ◽  
Kenneth A. Miller ◽  
...  
Keyword(s):  
Asymmetric Catalysis ◽  
Room Temperature ◽  
Chemical Bonds ◽  
Chiral Molecules ◽  
Free Energies ◽  
Design And Synthesis ◽  
The Impact ◽  
Rope Skipping ◽  
Temperature Factors ◽  
Insight Into

The restricted rotation of chemical bonds may lead to the formation of stable, conformationally chiral molecules. While the asymmetry in chiral molecules is generally observed in the presence of one or more stereocenters, asymmetry exhibited by conformational chirality in compounds lacking stereocenters, called atropisomerism, depends on structural and temperature factors that are still not fully understood. This atropisomerism is observed in natural diarylether heptanoids where the length of the intramolecular tether constrains the compounds to isolable enantiomers at room temperature. In this work, we examine the impact tether length has on the activation free energies to isomerization of a diarylether cyclophane substructure with a tether ranging from 6 to 14 carbons. Racemization activation energies are observed to decay from 48 kcal/mol for a 7-carbon tether to 9.2 kcal/mol for a 14-carbon tether. Synthetic efforts to experimentally test these constraints are also presented. This work will likely guide the design and synthesis of novel asymmetric cyclophanes that will be of interest in the catalysis community given the importance of atropisomeric ligands in the field of asymmetric catalysis.

scholarly journals Multiple Twisted Chiral Nematic Structures in Cylindrical Confinement

Crystals ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 576
Author(s):  
Milan Ambrožič ◽  
Apparao Gudimalla ◽  
Charles Rosenblatt ◽  
Samo Kralj
Keyword(s):  
Liquid Crystal ◽  
Elastic Constant ◽  
Model Parameters ◽  
Free Energies ◽  
Type Analysis ◽  
Chiral Nematic ◽  
The Stability ◽  
Stability Of Structures ◽  
The Impact ◽  
Insight Into

In this article, we theoretically and numerically study the chirality and saddle-splay elastic constant ( K 24 ) -enabled stability of multiple twist-like nematic liquid crystal (LC) structures in cylindrical confinement. We focus on the so-called radially z-twisted (RZT) and radially twisted (RT) configurations, which simultaneously exhibit twists in different spatial directions. We express the free energies of the structures in terms of dimensionless wave vectors, which characterise the structures and play the roles of order parameters. The impact of different confinement anchoring conditions is explored. A simple Landau-type analysis provides an insight into how different model parameters influence the stability of structures. We determine conditions for which the structures are stable in chiral and also nonchiral LCs. In particular, we find that the RZT structure could exhibit macroscopic chirality inversion upon varying the relevant parameters. This phenomenon could be exploited for the measurement of   K 24 .

scholarly journals Changing landscapes: Gay men in the west and northwest of Ireland

Sexualities ◽  
2020 ◽  
pp. 136346072098169
Author(s):  
Aidan McKearney
Keyword(s):  
Gay Men ◽  
Social Rights ◽  
Irish Society ◽  
Recent Past ◽  
Same Sex ◽  
Lgbt People ◽  
The Many ◽  
Northwest Region ◽  
The Impact ◽  
Insight Into

This article focuses on the experiences of gay men in the rural west and northwest region of Ireland, during a period of transformational social and political change in Irish society. These changes have helped facilitate new forms of LGBTQI visibility, and local radicalism in the region. Same-sex weddings, establishment of rural LGBT groups and marching under an LGBT banner at St Patricks Day parades would have been unthinkable in the recent past; but they are now becoming a reality. The men report continuing challenges in their lives as gay men in the nonmetropolitan space, but the emergence of new visibility, voice and cultural acceptance of LGBT people is helping change their lived experiences. The study demonstrates the impact of local activist LGBT citizens. Through their testimonies we can gain an insight into the many, varied and interwoven factors that have interplayed to create the conditions necessary for the men to: increasingly define themselves as gay to greater numbers of people in their localities; to embrace greater visibility and eschew strategies of silence; and aspire to a host of legal, political, cultural and social rights including same-sex marriage. Organic forms of visibility and local radicalism have emerged in the region and through an analysis of their testimonies we can see how the men continue to be transformed by an ever-changing landscape.

Double, triple or quadruple hits? Exploring the impact of cybercrime on victims in the Netherlands

2021 ◽  
pp. 026975802110106
Author(s):  
Raoul Notté ◽  
E.R. Leukfeldt ◽  
Marijke Malsch
Keyword(s):  
Public Opinion ◽  
Literature Review ◽  
The Netherlands ◽  
Public Discourse ◽  
Moral Judgments ◽  
Victim Blaming ◽  
High Prevalence ◽  
Different Types ◽  
The Impact ◽  
Insight Into

This article explores the impact of online crime victimisation. A literature review and 41 interviews – 19 with victims and 22 with experts – were carried out to gain insight into this. The interviews show that most impacts of online offences correspond to the impacts of traditional offline offences. There are also differences with offline crime victimisation. Several forms of impact seem to be specific to victims of online crime: the substantial scale and visibility of victimhood, victimisation that does not stop in time, the interwovenness of online and offline, and victim blaming. Victims suffer from double, triple or even quadruple hits; it is the accumulation of different types of impact, enforced by the limitlessness in time and space, which makes online crime victimisation so extremely invasive. Furthermore, the characteristics of online crime victimisation greatly complicate the fight against and prevention of online crime. Finally, the high prevalence of cybercrime victimisation combined with the severe impact of these crimes seems contradictory with public opinion – and associated moral judgments – on victims. Further research into the dominant public discourse on victimisation and how this affects the functioning of the police and victim support would be valuable.

scholarly journals Using syndromic measures of mortality to capture the dynamics of COVID-19 in Java, Indonesia, in the context of vaccination rollout

BMC Medicine ◽  
2021 ◽  
Vol 19 (1) ◽  
Author(s):  
Bimandra A. Djaafara ◽  
Charles Whittaker ◽  
Oliver J. Watson ◽  
Robert Verity ◽  
Nicholas F. Brazeau ◽  
...  
Keyword(s):  
Rural Areas ◽  
Vaccination Campaign ◽  
Control Measures ◽  
Additional Insight ◽  
Short Term ◽  
If Current ◽  
Vaccine Impact ◽  
Potential Impact ◽  
The Impact ◽  
Insight Into

Abstract Background As in many countries, quantifying COVID-19 spread in Indonesia remains challenging due to testing limitations. In Java, non-pharmaceutical interventions (NPIs) were implemented throughout 2020. However, as a vaccination campaign launches, cases and deaths are rising across the island. Methods We used modelling to explore the extent to which data on burials in Jakarta using strict COVID-19 protocols (C19P) provide additional insight into the transmissibility of the disease, epidemic trajectory, and the impact of NPIs. We assess how implementation of NPIs in early 2021 will shape the epidemic during the period of likely vaccine rollout. Results C19P burial data in Jakarta suggest a death toll approximately 3.3 times higher than reported. Transmission estimates using these data suggest earlier, larger, and more sustained impact of NPIs. Measures to reduce sub-national spread, particularly during Ramadan, substantially mitigated spread to more vulnerable rural areas. Given current trajectory, daily cases and deaths are likely to increase in most regions as the vaccine is rolled out. Transmission may peak in early 2021 in Jakarta if current levels of control are maintained. However, relaxation of control measures is likely to lead to a subsequent resurgence in the absence of an effective vaccination campaign. Conclusions Syndromic measures of mortality provide a more complete picture of COVID-19 severity upon which to base decision-making. The high potential impact of the vaccine in Java is attributable to reductions in transmission to date and dependent on these being maintained. Increases in control in the relatively short-term will likely yield large, synergistic increases in vaccine impact.

Insight into the impact of EGFR L792Y/F/H mutations on sensitivity to osimertinib: an in silico study

2021 ◽  
Vol 45 (10) ◽  
pp. 4756-4765
Author(s):  
Daoxing Chen ◽  
Liting Zhang ◽  
Yanan Liu ◽  
Jiali Song ◽  
Jingwen Guo ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Study ◽  
The Impact ◽  
Insight Into

EGFR L792Y/F/H mutation makes it difficult for Osimertinib to recognize ATP pockets.

scholarly journals Creation of pure non-crystalline diamond nanostructures via room temperature ion irradiation and subsequent thermal annealing

2021 ◽  
Author(s):  
Federico Picollo ◽  
Alfio Battiato ◽  
Federico Bosia ◽  
Fabio Scaffidi Muta ◽  
Paolo Olivero ◽  
...  
Keyword(s):  
Thermal Annealing ◽  
Room Temperature ◽  
Ion Irradiation ◽  
Group Iv ◽  
Chemical Bonds ◽  
Group Iv Elements ◽  
Silicon And Germanium ◽  
Subsequent Thermal Annealing

Carbon exhibits a remarkable range of structural forms, due to the availability of sp3, sp2 and sp1 chemical bonds. Contrarily to other group IV elements such as silicon and germanium,...

The RUMA Alliance targets: an overview

Livestock ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 176-179
Author(s):  
Chris Lloyd
Keyword(s):  
Task Force ◽  
Animal Health ◽  
Antibiotic Use ◽  
Codes Of Practice ◽  
The Government ◽  
The Uk ◽  
Ongoing Support ◽  
The Impact ◽  
Insight Into ◽  
Roll Out

The Responsible Use of Medicines in Agriculture Alliance (RUMA) was established to promote the highest standards of food safety, animal health and animal welfare in the British livestock industry. It has a current focus to deliver on the Government objective of identifying sector-specific targets for the reduction, refinement or replacement of antibiotics in animal agriculture. The creation and roll out of sector specific targets in 2017 through the RUMA Targets Task Force, has helped focus activity across the UK livestock sectors to achieve a 50% reduction in antibiotic use since 2014. This has been realised principally through voluntary multi-sector collaboration, cross sector initiatives, codes of practice, industry body support and farm assurance schemes. This article provides an overview of RUMA's work to date providing insight into the methods used to create the targets, why they are so important, the impact they are having and how ongoing support and robust data are vital components in achieving the latest set of targets.

scholarly journals The Impact of Spaceflight and Microgravity on the Human Islet-1+ Cardiovascular Progenitor Cell Transcriptome

2021 ◽  
Vol 22 (7) ◽  
pp. 3577
Author(s):  
Victor Camberos ◽  
Jonathan Baio ◽  
Ana Mandujano ◽  
Aida F. Martinez ◽  
Leonard Bailey ◽  
...  
Keyword(s):  
Early Stage ◽  
Space Station ◽  
Cardiovascular Development ◽  
Support Cell ◽  
Cell Transcriptome ◽  
Islet 1 ◽  
Life On Earth ◽  
The Impact ◽  
And Oxidative Stress ◽  
Insight Into

Understanding the transcriptomic impact of microgravity and the spaceflight environment is relevant for future missions in space and microgravity-based applications designed to benefit life on Earth. Here, we investigated the transcriptome of adult and neonatal cardiovascular progenitors following culture aboard the International Space Station for 30 days and compared it to the transcriptome of clonally identical cells cultured on Earth. Cardiovascular progenitors acquire a gene expression profile representative of an early-stage, dedifferentiated, stem-like state, regardless of age. Signaling pathways that support cell proliferation and survival were induced by spaceflight along with transcripts related to cell cycle re-entry, cardiovascular development, and oxidative stress. These findings contribute new insight into the multifaceted influence of reduced gravitational environments.

scholarly journals Detecting Convergence Trends among EU Universities

Economies ◽  
2021 ◽  
Vol 9 (2) ◽  
pp. 42
Author(s):  
Maria Adamakou ◽  
Dimitris Kallioras ◽  
George Petrakos
Keyword(s):  
Methodological Approach ◽  
Basic Research ◽  
Valuable Insight ◽  
Traditional Role ◽  
University Ranking ◽  
Convergence Clubs ◽  
Development Processes ◽  
The Impact ◽  
The Empirical Analysis ◽  
Insight Into

Universities are emerging growth determinants. This is so as, in addition to the fulfillment of their traditional role in teaching and (basic) research, universities, as aptly described within the helix framework, are expected to engage in regional development processes. The paper aims to detect trends of convergence among EU universities in terms of performance. To the best of our knowledge, this topic has not hitherto been examined. The empirical analysis of the paper covers the period 2014–2021, utilizes data obtained from URAP (University Ranking by Academic Performance), and employs the methodological approach of convergence clubs. The findings of the paper provide valuable insight into both theory and policy-making. We conclude that despite the unification of EU educational space, trends of divergence among EU universities are still present, and notable divisions still remain. Consequently, this indicates that the impact of EU universities on the formation of spatial disparities across EU space is not neutral.

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