Article
Humanities, Multidisciplinary
Karen Renaud, Verena Zimmermann, Tim Schuermann, Carlos Boehm
Summary: This paper reports on a three-part investigation into people's perceptions of cybersecurity based on their lived experiences. It aims to reveal blind spot issues within the Johari grid, confirming known aspects and identifying a particular blind spot issue of widespread negativity towards cybersecurity. The study used a recognized psychology methodology and found scoping cybersecurity-related emotions to be nontrivial, suggesting the need for new measurement tools.
HUMANITIES & SOCIAL SCIENCES COMMUNICATIONS
(2021)
Article
Biochemical Research Methods
Slavica Razic, Slobodan Gadzuric, Tatjana Trtic-Petrovic
Summary: Ionic liquids, known as designer solvents, have unique physicochemical properties and are used in sample pretreatment in analytical sciences. Validating newly proposed analytical methods using ionic liquids is crucial to demonstrate their reliability and accuracy. Additionally, this article discusses potential toxicity of ionic liquids.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Niek Beckers, Luciano Cavalcante Siebert, Merijn Bruijnes, Catholijn Jonker, David Abbink
Summary: People tend to hold the human driver primarily responsible for crashes involving partially automated vehicles, despite the unrealistic expectation placed on drivers to always remain vigilant during partially automated driving. The study reveals a lack of awareness among the public regarding the impact of automation on drivers' ability to take control, emphasizing the need for improved public education on human-factors issues with automated driving.
SCIENTIFIC REPORTS
(2022)
Article
Health Care Sciences & Services
Julia Hackett, Bryony Beresford
Summary: Children's hospices in the UK commonly provide cooling facilities to allow parents to spend time with their deceased child. Different hospices have varying approaches to care management and duration of use, particularly regarding whether parents can observe deterioration. Directors of care believe that cooling facilities offer families time to say goodbye and process their loss, but staff face challenges in this process.
PALLIATIVE MEDICINE
(2021)
Article
Business, Finance
Camila Figueroa, Gonzalo Iberti, Julio Riutort, Rodrigo Wagner
Summary: Firms often cite access to finance as a major obstacle to growth, but this study finds that not all firms stating finance as a primary obstacle are financially constrained. Surprisingly, firms facing non-stated financial constraints actually reinvest profits more heavily.
INTERNATIONAL REVIEW OF FINANCIAL ANALYSIS
(2023)
Review
Neurosciences
Anjie Ni, Carl Ernst
Summary: This article discusses the selective vulnerability of substantia nigra pars compacta (SNpc) dopaminergic cells to oxidative stress and provides evidence to support this hypothesis. The study found that SNpc dopaminergic neurons have a higher metabolic rate compared to other neurons, which may explain their increased susceptibility to damage. Additionally, the study found that transcription factors involved in cell induction and differentiation have a unique role in both developmental patterning and metabolism, unlike transcription factors in other brain regions.
FRONTIERS IN CELLULAR NEUROSCIENCE
(2022)
Article
Ergonomics
Ali M. Aljaroudi, Amit Bhattacharya, Amanda Strauch, Tyler D. Quinn, W. Jon Williams
Summary: This study aimed to investigate the effect of exercise-induced hyperthermia and the impact of cooling on postural balance while wearing firefighters' protective clothing in a hot environment. The results showed that hyperthermia led to an increase in postural balance metrics, which may increase the likelihood of falling. Cooling had a limited impact on postural balance stability.
INTERNATIONAL JOURNAL OF OCCUPATIONAL SAFETY AND ERGONOMICS
(2022)
Article
Geriatrics & Gerontology
Marta Ingles, Angel Belenguer-Varea, Eva Serna, Cristina Mas-Bargues, Francisco J. Tarazona-Santabalbina, Consuelo Borras, Jose Vina
Summary: Centenarians' offspring are less frail compared to age-matched noncentenarians' offspring, which may be explained by their unique genetic endowment.
JOURNALS OF GERONTOLOGY SERIES A-BIOLOGICAL SCIENCES AND MEDICAL SCIENCES
(2022)
Article
Immunology
Patrick T. Wedlock, Sarah N. Cox, Sarah M. Bartsch, Samuel L. Randall, Kelly J. O'Shea, Marie C. Ferguson, Sheryl S. Siegmund, Bruce Y. Lee
Summary: Implementing multi-dose rotavirus vaccines (such as five-dose or ten-dose) can reduce cold chain constraints and achieve higher rotavirus and total vaccine availability.
Review
Oncology
Victoria G. Woof, Anthony Howell, Lorna McWilliams, D. Gareth Evans, David P. French
Summary: This review synthesised qualitative research on how women perceive their increased risk of breast cancer. Women tend to appraise their risk by comparing it with other familial diseases. They heavily rely on family history and assess their likelihood of diagnosis based on similarities and differences with affected relatives. Women at increased risk often feel uncertainty and inevitability regarding diagnosis, leading to concerns about risk management. Personal appraisals of breast cancer risk are mainly formed through personal experiences with breast cancer in the family. Healthcare professionals should explore women's personal risk appraisals before providing clinically derived risk estimates to address misconceptions, reduce concerns about inevitability, and increase perceived control over risk reduction.
BRITISH JOURNAL OF CANCER
(2022)
Article
Ornithology
Vanya G. Rohwer, Sievert Rohwer, Larissa Kane
Summary: The research explored the covariation between filoplumes and primaries in different bird species, finding that the variation in filoplume number and morphology was more due to species differences rather than individual differences or position in the wing. Filoplume length and number increased with calamus length of primaries across species, and the sensitivity of this feature increased with growing primaries, but trimming of filoplumes does not occur synchronously with molting primaries.
Article
Criminology & Penology
Kyla M. Cary, Taylor A. Reid, Morgan E. PettyJohn, Megan K. Maas, Heather L. McCauley
Summary: The prevalence of sexual assault on American college campuses is still high, and there is a lack of sexual consent education in school-based sexual health education. This study explores the impact of broader social discourse, such as the #MeToo movement, on emerging adults' conceptualizations of sexual consent. Findings emphasize the need for earlier and more comprehensive education about sexual consent in childhood and adolescence, as well as further instruction on navigating ambiguous sexual consent experiences in college sexual assault prevention programs.
JOURNAL OF INTERPERSONAL VIOLENCE
(2022)
Article
Multidisciplinary Sciences
Sasha Brietzke, Meghan L. Meyer
Summary: The studies show that as time goes by, individuals tend to compress their past and future selves, making them increasingly non-discriminable with temporal distance in a logarithmic manner. This effect is preferential to the self and is also reflected in neural patterns.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Ecology
Anurag A. Agrawal, Amy P. Hastings, Christophe Duplais
Summary: This study found that monarch butterflies preferentially sequester compounds that are less toxic to themselves but still toxic to their enemies, reducing self-harm while maintaining protection from predators.
Article
Medicine, General & Internal
Konstantin G. Heimrich, Tino Prell, Aline Schoenenberg
Summary: This study identifies several factors associated with feeling younger in older people, including chronological age, frequency of sports engagement, standard of living, health status, life satisfaction, attitudes toward aging, and depressive symptoms. These findings are important for understanding the predictors of subjective age in older individuals.
FRONTIERS IN MEDICINE
(2022)
Article
Chemistry, Applied
Akinobu Matsuzawa, Jeremy N. Harvey, Fahmi Himo
Summary: This review highlights the importance of computational studies in realizing that bimetallic complexes are the active catalytic species in some reactions, rather than monometallic complexes as previously assumed. The combination of experimental observations and computation of metal precursor speciation is a powerful tool in predicting the presence of bimetallic intermediates or transition states.
TOPICS IN CATALYSIS
(2022)
Article
Chemistry, Medicinal
Francesc Sabanes Zariquiey, Edgar Jacoby, Ann Vos, Herman W. T. van Vlijmen, Gary Tresadern, Jeremy Harvey
Summary: The combination of mixed-solvent molecular dynamics (MD) and time-structure independent component analysis (TICA) was applied to four retrospective case studies, and the results were compared with previous experimental and computational findings. It was found that the successful identification of cryptic pockets depends on the system and the cosolvent probes. The conformational state of the targets plays a critical role in docking studies with the parent ligands, which has implications for virtual screening applications.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Organic
Xianjun Xu, Huangdi Feng, Xiaoyong Zhang, Liangliang Song, Luc Van Meervelt, Johan Van der Eycken, Jeremy N. Harvey, Erik V. Van der Eycken
Summary: A palladium-catalyzed reaction for the synthesis of fused polycyclic indolizines has been developed. Experimental and theoretical studies suggest that the reaction involves C-C and C-O bond cleavage, providing a new approach for heterocycle synthesis.
Article
Chemistry, Applied
Daniel Francis, A. John Blacker, Nikil Kapur, Stephen P. Marsden
Summary: The new modular photochemical continuous stirred-tank reactor (CSTR) design utilizes light-source units developed for the fReactor CSTR platform, making it suitable for both homogeneous and multiphasic reactions. By using slurries as input feeds, the system intensifies photochemical brominations, and its modular nature facilitates the integration of downstream reaction steps.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2022)
Article
Chemistry, Physical
Xiaoyong Zhang, Pierre-Louis Lefebvre, Jeremy N. Harvey
Summary: The solvent environment has minimal influence on transition state passage dynamics of the Diels-Alder reaction in aprotic solvents, with the notable effect occurring far from the transition state region where reactants are caged within the reactant well.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Medicinal
Chloe Townley, Lindsay McMurray, Stephen P. Marsden, Adam Nelson
Summary: A top-down synthetic approach was used to efficiently synthesize 21 diverse novel molecular scaffolds, which were derived from complex intermediates prepared using cycloaddition chemistry. Scaffold-hopping of these intermediates was achieved through ring attachment, cleavage, expansion, and/or fusion, leading to the generation of diverse lead-like screening compounds.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Pablo Ramos-Sanchez, Jeremy N. Harvey, Jose A. Gamez
Summary: A novel algorithm is proposed to explore the chemical space by generating reaction networks using heuristics based on chemical theory. The algorithm improves performance by considering only transformations that break two chemical bonds and form two new ones. It estimates energy barriers using quantum chemical calculations and can also identify missed species during the previous step to further define the reaction network. The algorithm has successfully identified the most important reaction pathways in five different chemical reactions.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Anthony Aimon, Mark J. Dow, Abigail R. Hanby, Ephraim A. Okolo, Christopher M. Pask, Adam Nelson, Stephen P. Marsden
Summary: The stereocontrolled synthesis of complex spirotricyclic systems containing an embedded syn-1,2-diaminocyclohexane unit is achieved through a dearomatising oxidation of phenols bearing pendant ureas capable of acting as double nucleophiles. The resultant products possess rich functionality suitable for the synthesis of potentially bioactive compounds.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Ephraim A. Okolo, Axel Pahl, Sonja Sievers, Christopher M. Pask, Adam Nelson, Stephen P. Marsden
Summary: A 'top down' scaffold remodelling approach was used to synthesize a library of spirotricyclic ureas via complexity-generating oxidative dearomatisation. Eighteen structurally distinct, sp(3)-rich scaffolds were obtained from the parent tricycle through ring addition, cleavage, and expansion strategies. Biological screening of the compound library based on these scaffolds revealed diverse phenotypic responses, highlighting both functional and structural diversity of the compounds.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Tamara Rinkovec, Demian Kalebic, Mark Van der Auweraer, Wim Dehaen, Jeremy N. Harvey, Steven De Feyter
Summary: In this study, the effect of concentration on the self-assembled molecular network formation process was investigated using scanning tunneling microscopy. Isophthalic acids were chosen as a model system, and the adsorption behavior was evaluated at the nanoscale. The results showed the existence of a critical concentration for self-assembly, with the molecular structure having a significant impact on this threshold value. Furthermore, highly cooperative behavior was observed at the liquid/solid interface, providing a rare example of quantitative measurement of cooperative phenomena.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Tolga Yaman, Jeremy N. N. Harvey
Summary: Novel density functional theory (DFT) calculations were performed to investigate the mechanism of a base-free Suzuki-Miyaura cross-coupling reaction with phosphine ligands. The results are consistent with experimental findings and suggest a mechanism involving recycling of the arylboronic acid moiety. Our calculations focus on the transmetalation and reductive elimination steps.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Physical
Maarten Konings, Jeremy N. Harvey, Jeïrome Loreau
Summary: In this work, Gaussian process regression machine learning representations of the three lowest coupled 2A' adiabatic electronic potential energy surfaces of the ArH2+ reactive system are presented. The nonadiabatic coupling matrix elements are also calculated. Accurate ab initio electronic structure calculations, taking into account the spin-orbit coupling, serve as input for the machine learning training process. The fitted potential energy surfaces show high accuracies, meeting the requirements for chemical dynamics at low temperature.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Alexandra Hindle, Krzysztof Baj, Jonathan A. Iggo, Daniel J. Cox, Christopher M. Pask, Adam Nelson, Stephen P. Marsden
Summary: A convergent approach to diazabicyclic scaffolds containing twisted amides or anilines is achieved through photocatalysed hydroamination and subsequent cyclisation of cyclic enecarbamates. The modular synthesis enables variation of the degree of twist and consequently the properties of the amides and anilines.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Tamara Rinkovec, Demian Kalebic, Mark Van der Auweraer, Wim Dehaen, Jeremy N. Harvey, Steven De Feyter
Summary: This study investigates the effect of concentration on the self-assembly process of molecular networks using scanning tunneling microscopy. The research aims to improve the understanding of 2D supramolecular chemistry by obtaining quantitative data. The results show highly cooperative behavior and the significant impact of molecular structure on the critical concentration.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Mary E. Bayana, J. Steven Wailes, Stephen P. Marsden
Summary: A two-step process has been developed to rapidly access diverse tri- and tetrasubstituted pyridines by utilizing a range of reactants.