bluuebunny/crossref_metadata_2025 huggingface dataset:
Resident-to-Resident Aggression in Private Seniors’ Residences
Authors: Falardeau Marie-Chantal , Beaulieu Marie , Carbonneau Hélène , Levasseur Mélanie
Published: July 2022

Abstract: Resident-to-resident aggression (RRA) is a globally-recognized problem in long-term care centers which is presently understudied among private seniors’ residences (PSRs) for independent and semi-independent older adults. This research documents the manifestations of RRA in PSRs in Québec and identifies the need to develop a program promoting wellness care and countering RRA from the viewpoint of residents who experienced it as well as employees and external intervenors who intervene in such situations. We conducted 25 individual interviews in four PSRs showing that RRA can manifest in diverse forms. The explicit and implicit needs identified refer to prevention and intervention. This research is the first to conceptualize the needs of experienced stakeholders in PSRs to develop a program promoting wellness care and countering RRA.
Psychology and Human Rights
Authors: Flores Roseanne L. , Rubin Neal S.
Published: July 2022

Abstract. In 2020, the United Nations celebrated its 75th anniversary. The celebration marked the founding of the UN Charter and reminded the world that this intergovernmental organization, created in the aftermath of World War II, was envisioned as an institution to safeguard humanity, and extend the protection and promotion of human rights, peace and security, the rule of law, and development. The anniversary also came against the backdrop of a world teetering on the brink of disaster – the COVID-19 pandemic. The UN Secretary-General described the COVID-19 pandemic as a global crisis that threatened to reverse decades of progress made in eradicating poverty, thereby exacerbating inequality and the progress made toward the Sustainable Development Goals. What began as a public health crisis quickly morphed into an economic, health, and human rights disaster. For many individuals and communities already lacking access to resources, the pandemic disproportionally impacted their right to live, their right to health and access to healthcare, and challenged their freedom to move around safely. As we continue to confront the challenges exacerbated by the COVID-19 pandemic, we are reminded of the role psychology can play in helping us understand how our attitudes and behaviors shape our responses and support the work of rebuilding a more equitable society shaped through the lens of human rights. This paper aimed to illustrate the contributions of psychological science during the current pandemic and envision the field's future impacts to promote human rights and the UN's 2030 global agenda on sustainable development.
Mapping a Volcanic Eruption in the Backyard of Iceland’s Capital
Authors: Kish Stacy
Published: July 2022

Researchers used satellites and aerial data to create regularly updated maps of the Fagradalsfjall eruption for both the public and disaster response agencies.
Southern Hemisphere Stratospheric Warmings and Coupling to the Mesosphere‐Lower Thermosphere
Authors: Vincent R. A. , Kovalam S. , Reid I. M. , Murphy D. J. , Klekociuk A.
Published: July 2022

Twenty six years of medium frequency (MF) radar wind measurements made from 1994 to 2019 at Davis Station (68.6°S, 77.9°E) are used to study the mean response of the mesosphere‐lower thermosphere to stratospheric warmings in the Southern Hemisphere. Warming events were detected using Modern‐Era Retrospective Analysis for Research and Applications (MERRA2) data with a systematic search for reductions in the zonal‐mean circulation at 60°S and corresponding increases in polar temperatures. Some 37 events were identified, including the 2002 major warming and the large event of 2019, with an average of 1–2 warmings per year. At the 10 hPa level, the polar cap temperature increases ranged from 3 to 28 K, with a mean value of 12 K, while the zonal wind speed reductions varied between −6 and −43 ms−1, with a mean value of −15 ms−1. Peak values occurred near 40 km. Warmings occurred mainly between August and October, with a small peak in occurrence in April/May. The MF radar data showed an average reduction in the mesospheric eastward winds of about 5–7 ms−1 at heights near 75 km that occurred 3–4 days prior to the changes in the stratosphere. Warming events were driven by episodic intensifications in planetary wave amplitudes, with quasi‐stationary planetary scale waves (PW) 1 being especially important. PW Eliassen‐Palm flux divergences show a systematic behavior with time and height that is consistent with a poleward residual circulation and downwelling over the pole prior to the warming events and an equatorward flow and upwelling after the peak of the events.
The role of health-based food choice motives in explaining the relationship between lower socioeconomic position and higher BMI in UK and US adults
Authors: Robinson Eric , Jones Andrew , Marty Lucile
Published: July 2022

Background/Objectives

Lower socioeconomic position (SEP) is associated with increased risk of higher BMI and developing obesity. No research to date has directly examined whether SEP differences in health-based food choice motives or executive function explain why lower SEP is associated with higher BMI.

Subjects/Methods

We analysed observational data from large samples of UK (N = 4130) and US (N = 1898) adults which included measures of SEP (education level, household income and subjective social status) and self-reported BMI. Participants also completed validated self-report measures on the extent to which their day-to-day food choices were motivated by health and weight control, as well as completing computerized tasks measuring inhibitory control (Stroop task) and working memory (Digit span task).

Results

Across both UK and US adults, the relationship between indicators of lower SEP and higher BMI were consistently explained by participants from lower SEP backgrounds reporting being less motivated by health when making food choices, which accounted for 18–28% of the association between lower SEP and higher BMI. There was no evidence that measures of executive function explained associations between SEP and BMI or moderated relations between food choice motives and higher BMI.

Conclusions

SEP differences in health-based food choice motives may play an important role in explaining why lower SEP is associated with an increased risk of higher BMI.
Resistance evolution can disrupt antibiotic exposure protection through competitive exclusion of the protective species
Authors: Quinn Angus M , Bottery Michael J , Thompson Harry , Friman Ville-Petri
Published: July 2022

Antibiotic degrading bacteria can reduce the efficacy of drug treatments by providing antibiotic exposure protection to pathogens. While this has been demonstrated at the ecological timescale, it is unclear how exposure protection might alter and be affected by pathogen antibiotic resistance evolution. Here, we utilised a two-species model cystic fibrosis (CF) community where we evolved the bacterial pathogen Pseudomonas aeruginosa in a range of imipenem concentrations in the absence or presence of Stenotrophomonas maltophilia, which can detoxify the environment by hydrolysing β-lactam antibiotics. We found that P. aeruginosa quickly evolved resistance to imipenem via parallel loss of function mutations in the oprD porin gene. While the level of resistance did not differ between mono- and co-culture treatments, the presence of S. maltophilia increased the rate of imipenem resistance evolution in the four μg/ml imipenem concentration. Unexpectedly, imipenem resistance evolution coincided with the extinction of S. maltophilia due to increased production of pyocyanin, which was cytotoxic to S. maltophilia. Together, our results show that pathogen resistance evolution can disrupt antibiotic exposure protection due to competitive exclusion of the protective species. Such eco-evolutionary feedbacks may help explain changes in the relative abundance of bacterial species within CF communities despite intrinsic resistance to anti-pseudomonal drugs.
A descriptive cohort study of withdrawal from inhaled corticosteroids in COPD patients
Authors: Patel Smit , Dickinson Scott , Morris Kevin , Ashdown Helen F. , Chalmers James D.
Published: July 2022

Inhaled corticosteroid (ICS) therapy is widely prescribed without a history of exacerbations and consensus guidelines suggest withdrawal of ICS in these patients would reduce the risk of side effects and promote cost-effective prescribing. The study describes the prescribing behaviour in the United Kingdom (UK) in relation to ICS withdrawal and identifies clinical outcomes following withdrawal using primary and secondary care electronic health records between January 2012 and December 2017. Patients with a history ≥12 months’ exposure who withdrew ICS for ≥6 months were identified into two cohorts; those prescribed a long-acting bronchodilator maintenance therapy and those that were not prescribed any maintenance therapy. The duration of withdrawal, predictors of restarting ICS, and clinical outcomes were compared between both patient cohorts. Among 76,808 patients that had ≥1 prescription of ICS in the study period, 11,093 patients (14%) withdrew ICS therapy at least once during the study period. The median time without ICS was 9 months (IQR 7–14), with the majority (71%) receiving subsequent ICS prescriptions after withdrawal. Patients receiving maintenance therapy with a COPD review at withdrawal were 28% less likely to restart ICS (HR: 0.72, 95% CI 0.61, 0.85). Overall, 69% and 89% of patients that withdrew ICS had no recorded exacerbation event or COPD hospitalisation, respectively, during the withdrawal. This study provides evidence that most patients withdrawing from ICS do not experience COPD exacerbations and withdrawal success can be achieved by carefully planning routine COPD reviews whilst optimising the use of available maintenance therapies.
SANA: cross-species prediction of Gene Ontology GO annotations via topological network alignment
Authors: Wang Siyue , Atkinson Giles R. S. , Hayes Wayne B.
Published: July 2022

Topological network alignment aims to align two networks node-wise in order to maximize the observed common connection (edge) topology between them. The topological alignment of two protein–protein interaction (PPI) networks should thus expose protein pairs with similar interaction partners allowing, for example, the prediction of common Gene Ontology (GO) terms. Unfortunately, no network alignment algorithm based on topology alone has been able to achieve this aim, though those that include sequence similarity have seen some success. We argue that this failure of topology alone is due to the sparsity and incompleteness of the PPI network data of almost all species, which provides the network topology with a small signal-to-noise ratio that is effectively swamped when sequence information is added to the mix. Here we show that the weak signal can be detected using multiple stochastic samples of “good” topological network alignments, which allows us to observe regions of the two networks that are robustly aligned across multiple samples. The resulting network alignment frequency (NAF) strongly correlates with GO-based Resnik semantic similarity and enables the first successful cross-species predictions of GO terms based on topology-only network alignments. Our best predictions have an AUPR of about 0.4, which is competitive with state-of-the-art algorithms, even when there is no observable sequence similarity and no known homology relationship. While our results provide only a “proof of concept” on existing network data, we hypothesize that predicting GO terms from topology-only network alignments will become increasingly practical as the volume and quality of PPI network data increase.
Mechanisms of APOBEC3 mutagenesis in human cancer cells
Authors: Petljak Mia , Dananberg Alexandra , Chu Kevan , Bergstrom Erik N. , Striepen Josefine , von Morgen Patrick , Chen Yanyang , Shah Hina , Sale Julian E. , Alexandrov Ludmil B. , Stratton Michael R. , Maciejowski John
Published: July 2022

The APOBEC3 family of cytosine deaminases has been implicated in some of the most prevalent mutational signatures in cancer1–3. However, a causal link between endogenous APOBEC3 enzymes and mutational signatures in human cancer genomes has not been established, leaving the mechanisms of APOBEC3 mutagenesis poorly understood. Here, to investigate the mechanisms of APOBEC3 mutagenesis, we deleted implicated genes from human cancer cell lines that naturally generate APOBEC3-associated mutational signatures over time4. Analysis of non-clustered and clustered signatures across whole-genome sequences from 251 breast, bladder and lymphoma cancer cell line clones revealed that APOBEC3A deletion diminished APOBEC3-associated mutational signatures. Deletion of both APOBEC3A and APOBEC3B further decreased APOBEC3 mutation burdens, without eliminating them. Deletion of APOBEC3B increased APOBEC3A protein levels, activity and APOBEC3A-mediated mutagenesis in some cell lines. The uracil glycosylase UNG was required for APOBEC3-mediated transversions, whereas the loss of the translesion polymerase REV1 decreased overall mutation burdens. Together, these data represent direct evidence that endogenous APOBEC3 deaminases generate prevalent mutational signatures in human cancer cells. Our results identify APOBEC3A as the main driver of these mutations, indicate that APOBEC3B can restrain APOBEC3A-dependent mutagenesis while contributing its own smaller mutation burdens and dissect mechanisms that translate APOBEC3 activities into distinct mutational signatures.
Hijacking of transcriptional condensates by endogenous retroviruses
Authors: Asimi Vahid , Sampath Kumar Abhishek , Niskanen Henri , Riemenschneider Christina , Hetzel Sara , Naderi Julian , Fasching Nina , Popitsch Niko , Du Manyu , Kretzmer Helene , Smith Zachary D. , Weigert Raha , Walther Maria , Mamde Sainath , Meierhofer David , Wittler Lars , Buschow René , Timmermann Bernd , Cisse Ibrahim I. , Ameres Stefan L. , Meissner Alexander , Hnisz Denes
Published: July 2022

Most endogenous retroviruses (ERVs) in mammals are incapable of retrotransposition; therefore, why ERV derepression is associated with lethality during early development has been a mystery. Here, we report that rapid and selective degradation of the heterochromatin adapter protein TRIM28 triggers dissociation of transcriptional condensates from loci encoding super-enhancer (SE)-driven pluripotency genes and their association with transcribed ERV loci in murine embryonic stem cells. Knockdown of ERV RNAs or forced expression of SE-enriched transcription factors rescued condensate localization at SEs in TRIM28-degraded cells. In a biochemical reconstitution system, ERV RNA facilitated partitioning of RNA polymerase II and the Mediator coactivator into phase-separated droplets. In TRIM28 knockout mouse embryos, single-cell RNA-seq analysis revealed specific depletion of pluripotent lineages. We propose that coding and noncoding nascent RNAs, including those produced by retrotransposons, may facilitate ‘hijacking’ of transcriptional condensates in various developmental and disease contexts.
Kinetics of anti-nucleocapsid IgG response in COVID-19 immunocompetent convalescent patients
Authors: Movsisyan Mariam , Chopikyan Armine , Kasparova Irina , Hakobjanyan Gohar , Carrat Fabrice , Sukiasyan Meline , Rushanyan Marieta , Chalabyan Mariam , Shariff Sanobar , Kantawala Burhan , Keshishyan Anna , Hovhannisyan Alvard , Hakobyan Armine , Petrosyan Gayane , Minasyan Armen , Muradyan Armen , Mekinian Arsene , Yenkoyan Konstantin
Published: July 2022

The comprehension of a long-term humoral immune response against SARS-CoV-2 can shed light on the treatment and vaccination strategies of COVID-19 disease, improving the knowledge about this virus infection and/or re-infection. We assessed the IgG antibodies against SARS-CoV-2 nucleocapsid (N) protein (anti-SARS-CoV-2 (N) IgG) in 1441 COVID-19 convalescent patients within 15 months longitudinal study from middle-developed country. The main inclusion criteria was positive RT– PCR result on nasopharyngeal swab samples at least one month before antibody testing and absence of any induced or inherited immunodeficiency. 92.7% of convalescent patients’ serum contained anti-SARS-CoV-2 (N) IgG and only 1.3% of patients had a delayed antibody response. In the majority of convalescent patients’ the durability of antibodies lasted more than one year. The kinetics of anti-SARS-CoV-2 (N) IgG took a bell-shaped character—increased first 25–30 weeks, then started to decrease, but were still detectable for more than 15 months. We found that on the one hand anti-SARS-CoV-2 humoral response level correlates with disease severity, on the other, in particular, the level of peak antibodies correlates with age—older patients develop more robust humoral response regardless of sex, disease severity and BMI.
A retrospective analysis of peri-operative medication errors from a low-middle income country
Authors: Abbasi Shemila , Rashid Saima , Khan Fauzia Anis
Published: July 2022

Identifying medication errors is one method of improving patient safety. Peri operative anesthetic management of patient includes polypharmacy and the steps followed prior to drug administration. Our objective was to identify, extract and analyze the medication errors (MEs) reported in our critical incident reporting system (CIRS) database over the last 15 years (2004–2018) and to review measures taken for improvement based on the reported errors. CIRS reported from 2004 to 2018 were identified, extracted, and analyzed using descriptive statistics and presented as frequencies and percentages. MEs were identified and entered on a data extraction form which included reporting year, patients age, surgical specialty, American Society of Anesthesiologist (ASA) status, time of incident, phase and type of anesthesia and drug handling, type of error, class of medicine, level of harm, severity of adverse drug event (ADE) and steps taken for improvement. Total MEs reported were 311, medication errors were reported, 163 (52%) errors occurred in ASA II and 90 (29%) ASA III patient, and 133 (43%) during induction. During administration phase 60% MEs occurred and 65% were due to human error. ADEs were found in 86 (28%) reports, 58 of which were significant, 23 serious and five life-threatening errors. The majority of errors involved neuromuscular blockers (32%) and opioids (13%). Sharing of CI and a lesson to be learnt e-mail, colour coded labels, change in medication trolley lay out, decrease in floor stock and high alert labels were the low-cost steps taken to reduce incidents. Medication errors were more frequent during administration. ADEs were occurred in 28% MEs.
High-accuracy virtual testing of air conditioner’s digital twin focusing on key material’s deformation and fracture behavior prediction
Authors: Fu Shaohua , Wan Zhenping , Lu Weifeng , Liu Huaican , Zhang Peng’e , Yu Bo , Tan Jianming , Pan Feng , Liu Zhigang
Published: July 2022

The concept of digital twin has been introduced for some time, yet one fundamental element of digital twin, digital material, has not been thoroughly studied. To interact with the physical product, the digital twin should always truthfully reflect the responses under various stimuli. In this paper, the deformation and fracture behavior of high impact polystyrene (HIPS) under the influencing factors of strain rate and stress triaxiality are studied to construct the material’s digital model. A digital twin of air conditioner product is further built and tested under virtual drop test. Comparing to experimental results, the acceleration curve, crazing induced whitening and the fracture events can all be captured by the digital twin. Our work demonstrates the importance of material characterization as an essential step to construct an accurate digital twin and shows a promising future of digital twin in virtual testing to replace traditional “trial and error” experiments.
Mutational induction in SARS-CoV-2 major lineages by experimental exposure to neutralising sera
Authors: Brandolini Martina , Dirani Giorgio , Taddei Francesca , Zannoli Silvia , Denicolò Agnese , Arfilli Valentina , Battisti Arianna , Manera Martina , Mancini Andrea , Grumiro Laura , Marino Maria Michela , Gatti Giulia , Fantini Michela , Semprini Simona , Sambri Vittorio
Published: July 2022

The ongoing evolution of SARS-CoV-2 and the emergence of new viral variants bearing specific escape mutations responsible for immune evasion from antibody neutralisation has required a more accurate characterisation of the immune response as one of the evolutive forces behind viral adaptation to a largely immunised human population. In this work, culturing in the presence of neutralising sera vigorously promoted mutagenesis leading to the acquisition of known escape mutations on the spike as well as new presumptive escape mutations on structural proteins whose role as target of the neutralizing antibody response might have been thus far widely neglected. From this perspective, this study, in addition to tracing the past evolution of the species back to interactions with neutralising antibody immune response, also offers a glimpse into future evolutive scenarios.
Grape seed proanthocyanidin extract inhibits DNA and protein damage and labile iron, enzyme, and cancer cell activities
Authors: Habib Hosam M. , El-Fakharany Esmail M. , Kheadr E. , Ibrahim Wissam H.
Published: July 2022

Grape seed extract from (Vitis vinifera) (VGSE) is an excellent source of various polyphenols that exhibit highly potent antioxidant and disease prevention properties. Although numerous biological activities, with potential for improving human health, have been reported for VGSE, there is a lack of data relating to the health benefits of VGSE on DNA damage, protein damage, labile iron activity, and enzyme inhibitory effects. This investigation demonstrated, for the first time, that VGSE inhibits DNA and BSA damage and labile iron activity in-vitro. Moreover, VGSE also inhibited in-vitro activities of AChE, tyrosinase, and α-amylase. VGSE treatment significantly reduced viability of MCF-7, Hep-G2, Caco-2, and Huh-7 cells after 48-h treatments. The results obtained provide additional support for the purported health benefits of VGSE and reinforce its potential in disease prevention and therapy, especially in relation to cancer.
On the mixed Kibria–Lukman estimator for the linear regression model
Authors: Chen Hongmei , Wu Jibo
Published: July 2022

This paper considers a linear regression model with stochastic restrictions,we propose a new mixed Kibria–Lukman estimator by combining the mixed estimator and the Kibria–Lukman estimator.This new estimator is a general estimation, including OLS estimator, mixed estimator and Kibria–Lukman estimator as special cases. In addition, we discuss the advantages of the new estimator based on MSEM criterion, and illustrate the theoretical results through examples and simulation analysis.
Relationship between cognition and treatment adherence to disease-modifying therapy in multiple sclerosis: a prospective, cross-sectional study
Authors: Giedraitiene N. , Taluntiene V. , Kaubrys G.
Published: July 2022

Less than half of patients with chronic diseases, including multiple sclerosis (MS), adhere to their prescribed medications. Treatment selection is essential for patient adherence. The aim of this study was to explore the potential factors influencing nonadherence to disease-modifying therapies (DMTs) in MS. This prospective, cross-sectional study was performed at the Multiple Sclerosis Center between 2018 and 2021. In total, 85 patients were eligible for final analysis. Forty-one patient (48.2%) with MS were non-adherent to DMT. Male sex, oral administration of drugs, and longer treatment duration were associated with nonadherence. The mean Expanded Disability Status Scale score did not differ between the adherent and non-adherent patients (p > 0.05). Patients with a higher score on the Symbol Digit Modalities Test, who were receiving self-injection therapy, had shorter treatment duration, and higher disability, were more likely to be adherent to DMT than those without. To minimize nonadherence in patients with MS, the patient’s information processing speed should be considered before DMT initiation, and appropriate treatment options should be discussed.
Single-cell transcriptome of the mouse retinal pigment epithelium in response to a low-dose of doxorubicin
Authors: Lee Hyungwoo , Lee Ho-Yeon , Chae Jae-Byoung , Park Chul-Woo , Kim Chaekyu , Ryu Ja-Hyoung , Jang Jiwon , Kim Namshin , Chung Hyewon
Published: July 2022

Cellular senescence of the retinal pigment epithelium (RPE) is thought to play an important role in vision-threatening retinal degenerative diseases, such as age-related macular degeneration (AMD). However, the single-cell RNA profiles of control RPE tissue and RPE tissue exhibiting cellular senescence are not well known. We have analyzed the single-cell transcriptomes of control mice and mice with low-dose doxorubicin (Dox)-induced RPE senescence (Dox-RPE). Our results have identified 4 main subpopulations in the control RPE that exhibit heterogeneous biological activities and play roles in ATP synthesis, cell mobility/differentiation, mRNA processing, and catalytic activity. In Dox-RPE mice, cellular senescence mainly occurs in the specific cluster, which has been characterized by catalytic activity in the control RPE. Furthermore, in the Dox-RPE mice, 6 genes that have not previously been associated with senescence also show altered expression in 4 clusters. Our results might serve as a useful reference for the study of control and senescent RPE.
Influence of zeolite confinement effects on cation–π interactions in methanol-to-hydrocarbon conversion
Authors: Wang Chao , Chu Yueying , Hu Min , Cai Wenjin , Wang Qiang , Li Shenhui , Xu Jun , Deng Feng
Published: July 2022

Zeolite confinement effects on cation–π interactions between cyclopentenyl cations and aromatics were revealed by solid-state NMR spectroscopy.
Amyloid-templated polydopamine nanofibers for catecholic immobilization of catalytic noble metal nanoparticles
Authors: Lili Lv , Yanwei Wang , Jun You , Mingjie Li , Chaoxu Li
Published: July 2022

Polydopamine nanofibers were fabricated templated on lysozyme amyloid nanofibrils. With catechol groups on the PDA nanofibers, noble metal ions werein situadsorbed and reduced into metallic nanoparticles with excellent catalytic activities.
Coupling electrochemical H2O2 production and the in situ selective oxidation of organics over a bifunctional TS-1@Co–N–C catalyst
Authors: Wu Shutao , Zhang Hongliang , Huang Xun , Wei Zidong
Published: July 2022

A core–shell TS-1@Co–N–C was prepared by thermally pyrolyzing polydopamine and cobalt acetate outside TS-1 crystals.
Self-gelation involved in the transformation of resveratrol and piperine from a co-amorphous system into a co-crystal system
Authors: Han Jiawei , Li Luyuan , Yu Qian , Zheng Daoyi , Song Yutong , Zhang Jianjun , Gao Yuan , Heng Weili , Qian Shuai , Pang Zunting
Published: July 2022

Self-gelation of co-amorphous system promotes the transformation into its co-crystal system during dissolution.
Slider-crank mechanism in a molecular crystal: conversion of linear thermal expansion of a lattice to circular rotation of a coordination chain
Authors: Tsunashima Ryo , Fujikawa Naomi , Shiga Misaki , Miyagawa Sayu , Ohno Shiori , Masuya-Suzuki Atsuko , Akutagawa Tomoyuki , Takahashi Kiyonori , Nakamura Takayoshi , Nishihara Sadafumi
Published: July 2022

Slider-crank like force conversion of linear thermal expansion to rotational motion of the coordination chains were observed in the molecular crystal.
Enhanced photoluminescence stability and internal defect evolution of the all-inorganic lead-free CsEuCl3 perovskite nanocrystals
Authors: Gao Yalei , Zhang Tao , Liu Jun , Liu Hongjun , Li Meixian , Liu Fuchi , Kong Wenjie , Lv Fengzhen , Yang Yong , Long Lizhen
Published: July 2022

Accompanied by internal defect evolution in the perovskite lattice, the naturally formed “hollow” defects and obviously blue-shifted emission of CsEuCl3 nanocrystals were observed.
On the origin of the inverted singlet–triplet gap of the 5th generation light-emitting molecules
Authors: Tučková Lucie , Straka Michal , Valiev Rashid R. , Sundholm Dage
Published: July 2022

The electron density difference is almost identical for the S1 and T1 states of the studied molecules with inverted singlet–triplet gap.
Visible light-driven photocatalytic activity of wide band gap ATiO3 (A = Sr, Zn and Cd) perovskites by lanthanide doping and the formation of a mesoporous heterostructure with ZnS QDs
Authors: Zehtab-Lotfi Elnaz , Amani-Ghadim Ali Reza , Soltani Behzad
Published: July 2022

A mesoporous type-II heterostructure, Dy-doped CdTiO3/ZnS QDs, was prepared. Taking advantage of the large surface area and considerable suppressing of the charge carrier recombination, this photocatalyst exhibits excellent performance for the degradation of MB and BPA.
Investigation of Li-rich manganese oxide spinel structures for electrochemical water oxidation catalysis
Authors: Tavar Deepika , Kamlesh  , Prakash Satya , Ashiq Mohammad , Singh Pardeep , Raizada Pankaj , Sharma R. K. , Srivastava A. K. , Singh Archana
Published: July 2022

The rapid development of efficient and cost-effective catalysts is essential for the oxygen evolution reaction.
Risk assessment and data gap filling of toxicity of metal oxide nanoparticles (MeOx NPs) used in nanomedicines: a mechanistic QSAR approach
Authors: Roy Joyita , Roy Kunal
Published: July 2022

QSAR models have been developed to determine the cytotoxicity of NPs towards HaCaT cells.
Molecular firefighting biocomposites for plastic life-cycle management: fabrication, use and upcycling
Authors: Huang Chi , Zhao Ze-Yong , Deng Cong , Lin Wei , Wang Yu-Zhong
Published: July 2022

The low degradability and durability of plastics are a double-edged sword: they enable plastics to have versatile applications in the use phase, but pose environmental challenges at the end-of-life of the plastics.
Impact of aqueous micellar media on biocatalytic transformations involving transaminase (ATA); applications to chemoenzymatic catalysis
Authors: Dussart-Gautheret Jade , Yu Julie , Ganesh Krithika , Rajendra Gaikwad , Gallou Fabrice , Lipshutz Bruce H.
Published: July 2022

Surfactant-enabled asymmetric ATA-catalyzed reductive aminations in aqueous buffered media are described, representative of the enhanced levels of conversion made possible by the presence of a nonionic surfactant in the water, thereby enabling 1-pot chemoenzymatic catalysis.
WEPA: a reusable waste biomass-derived catalyst for external oxidant/metal-free quinoxaline synthesisviatandem condensation–cyclization–oxidation of α-hydroxy ketones
Authors: Ramesh Naidu Bandameeda , Venkateswarlu Katta
Published: July 2022

WEPA, a waste biomass-derived catalyst, was used to synthesize quinoxalines from aryl/heteroaryl 1,2-diamines and α-hydroxy ketonesviametal catalyst/added oxidant-free sequential condensation–cyclization–oxidation process.
A phonic Braille recognition system based on a self-powered sensor with self-healing ability, temperature resistance, and stretchability
Authors: Dai Xingyi , Huang Long-Biao , Sun Zhenhua , Du Yuzhang , Xue Boen , Wong Man-Chung , Han Jiancheng , Liang Qihua , Wu Yongpeng , Dong Biqin , Kong Jie , Hao Jianhua
Published: July 2022

A Braille recognition system with phonic functionality has been developed using self-powered sensor. The electrical signals generated by the sensor can be recorded and converted into audio form, thus it can be decoded and read out in real-time.
Host–guest complexation of APP+ with cucurbit[7]uril. Theoretical and experimental studies on the supramolecular inhibition of its cytotoxicity on SERT
Authors: Almendras Sebastián , Zárate Ana María , Dinamarca-Villarroel Luis , Guerra Daniel , Fuentealba Denis , Eltit Jose M. , Aliaga Margarita E. , Fierro Angélica , Pérez Edwin G.
Published: July 2022

The supramolecular binding behavior of APP+ and CB[7] in aqueous solution was studied by different techniques. APP+ showed cytotoxicity towards HEK293 cells expressing hSERT. This cytotoxicity was inhibited by the treatment of the cells with CB[7].
Upcycling hazardous metals and PET waste-derived metal–organic frameworks: a review on recent progresses and prospects
Authors: Shanmugam Mariyappan , Chuaicham Chitiphon , Augustin Ashil , Sasaki Keiko , Sagayaraj Prince J. J. , Sekar Karthikeyan
Published: July 2022

An intense increase in non-biodegradable plastics and waste metals is an immediate threat to the world and needs to be addressed urgently.
Turning conventional non-TADF units into high-lying reverse intersystem crossing TADF emitters: different symmetric D–A–D-type modified donor units
Authors: Bai Xue , Wu Shui-xing , Duan Ying-chen , Pan Qing-qing , Gao Feng-wei , Kan Yu-he , Su Zhong-min
Published: July 2022

DFT and TD-DFT calculations were performed to turn conventional non-TADF units into high-lying reverse intersystem crossing D–A–D-type TADF emitters.
A simple phenazine derivative fluorescence sensor for detecting formaldehyde
Authors: Wei Tai-Bao , Dang Li-Rong , Hu Jian-Peng , Jia Yu , Lin Qi , Yao Hong , Shi Bingbing , Zhang You-Ming , Qu Wen-Juan
Published: July 2022

We developed fluorescence sensor for detecting HCHO. Such molecular sensors have great potential to be utilized. We hope that this simple fluorescent probe can arouse widespread attention in the fields of molecular sensing and food chemistry.
Research progress in the synthesis and biological application of quantum dots
Authors: Zhang Yuanjie , Liu Bin , Liu Zongming , Li Jinkai
Published: July 2022

Quantum dots have great potential in biomedical applications due to their excellent optical properties and biocompatibility.
Room-temperature triethylamine sensing of a chemiresistive sensor based on Sm-doped SnS2/ZnS hierarchical microspheres
Authors: Li Feng , Zeng Ziqiang , Wu Mingyang , Liu Leda , Li Wenlong , Huang Fobao , Li Wei , Guan He , Geng Wangchang
Published: July 2022

An Sm-doped SnS2/ZnS sensor shows excellent gas-sensing performance towards triethylamine at room temperature.
Influence of surface functionalization on the contact electrification of fabrics
Authors: Sun Weixiang , Yang Di , Luo Ning , Li Hao , Wang Daoai
Published: July 2022

A novel self-powered fabric composition detection system has been developed from F-TENGs modified by different functional groups.
Modulating chitin synthesis in marine algae with iminosugars obtained by SmI2 and FeCl3-mediated diastereoselective carbonyl ene reaction
Authors: Holzwarth Marcel , Ludwig Jan , Bernz Alexander , Claasen Birgit , Majoul Asma , Reuter Julia , Zens Anna , Pawletta Brigitte , Bilitewski Ursula , Weiss Ingrid M. , Laschat Sabine
Published: July 2022

Samarium iodide was employed in a stereoselective cyclization, starting from enantiopure amino acids towards iminosugar analogues, which influence chitin synthesis in the eukaryotic algae Thalassiosira as quantified in vivo via light microscopy.
DAST-mediated ring-opening of cyclopropyl silyl ethers in nitriles: facile synthesis of allylic amides via a Ritter-type process
Authors: Kirihara Masayuki , Nakamura Riho , Nakakura Kana , Tujimoto Kazuki , Salem Mohamed S. H. , Suzuki Takeyuki , Takizawa Shinobu
Published: July 2022

A diethylaminosulfur trifluoride (DAST)-mediated ring-opening reaction of cyclopropyl silyl ethers in nitriles produced allylic amides in moderate to good yields (up to 87%).
Mechanistic insights into dual active sites in Au@W18O49 electrocatalysts for the hydrogen evolution reaction
Authors: Yu Yaqin , Zhou Zhen , Song Xiaoping , Song Xiaowei , Zhang Zhengdong , Jing Chuanyong
Published: July 2022

Au@W18O49-0.7 with dual-functional sites activated H+ adsorption and H* desorption at spatially separated sites, thus improving the hydrogen insertion/extraction efficiency.
Perovskite Al-SrTiO3 semiconductor electrolyte with superionic conduction in ceramic fuel cells
Authors: Shah M. A. K. Yousaf , Lu Yuzheng , Mushtaq Naveed , Yousaf Muhammad , Rauf Sajid , Asghar Muhammad Imran , Lund Peter D. , Zhu Bin
Published: July 2022

Perovskite oxide doping may modulate the energy bandgap strongly affecting the oxygen reduction activity and electrical properties with a high potential for use as a low-temperature solid oxide fuel cell (LT-SOFC) electrolyte.
High energy storage density and low energy loss achieved by inserting charge traps in all organic dielectric materials
Authors: Zhang Meirong , Zhu Bofeng , Zhang Xiao , Tan Shaobo , Gong Honghong , Wei Xiaoyong , Zhang Zhicheng
Published: July 2022

An innovative strategy of introducing space charge traps to dielectric materials is developed by copolymerization of MMA with conjugated VK, which enables superior energy storage performance (Ue = 15.7 J cm−3 @ 750 MV m−1, η = 88%).
A general acetic acid vapour etching strategy to synthesize layered carbon nitride with carbon vacancies for efficient photoredox catalysis
Authors: Zhao Jianghong , Mu Rihui , Zhang Ya , Yang Zhidong , Zhang Hongxia , Shi Hu , Zhang Min , Zheng Zhanfeng , Yang Pengju
Published: July 2022

A chemical etching strategy has been developed to prepare polymeric carbon nitride (PCN) nanosheets with carbon vacancies (CVs). The CVs can regulate the electronic properties of the Pt cocatalyst, thereby achieving superior hydrogen production.
A label-free dual-modal aptasensor for colorimetric and fluorescent detection of sulfadiazine
Authors: Yang Lulan , Chen Xingyue , Wen Xu , Tang Jiaming , Zheng Xiaoling , Li Jiaqi , Chen Lingling , Jiang Shuang , Le Tao
Published: July 2022

Schematic illustration of the dual-modal aptasensor based on colorimetric and fluorescent dual-signal detection of SDZ in real samples.
Spectral modelling of Type IIb supernovae
Authors: Ergon Mattias , Fransson Claes
Published: July 2022

We use the new non-local-thermodynamical-equilibrium (NLTE) light curve and spectral synthesis code JEKYLL to evolve a macro-scopically mixed ejecta model of a Type IIb supernova (SN) originating from a star with an initial mass of 12 M⊙ through the photospheric and nebular phase. The ejecta model is adopted from earlier work and has a mass of 1.7 M⊙, has a kinetic energy of 0.7 foe, and contains 0.075 M⊙ of 56Ni. The macroscopic mixing is simulated through a statistical representation of ejecta fragmented into small clumps but spherically symmetric on average. We compare our model with SN 2011dh and find that both the spectra and the light curves are well reproduced in both the photospheric and nebular phase, although there are also some differences. Our work further strengthens the evidence that this SN originated from a star with an initial mass of ~12 M⊙ that had lost all but a tiny (<0.1 M⊙) fraction of its hydrogen envelope, strongly suggesting a binary origin. We also investigate the effects of the macroscopic mixing by comparing macroscopically and microscopically mixed models and by varying the clumping geometry. In the photospheric phase, we find strong effects on the effective opacity in the macroscopically mixed regions, which affects the model light curves. The diffusion peak is considerably narrower (rise time decreased by 11%) in the macroscopically mixed case and differs strongly (rise time decreased by 29%) if the radioactive material in the helium envelope is allowed to expand more than in our standard model. The effect is mainly geometrical and is driven by the expansion of the clumps that contain radioactive material, which tend to decrease the effective opacity. In the limit of optically thick clumps, the decrease is roughly given by the product of the (volume) expansion and filling factors for the radioactive material, and in our models values up to ~8 are explored. These findings have implications for light curve modelling of stripped-envelope SNe in general, and the effect would increase the estimated ejecta masses. In the nebular phase, we find strong effects on the collisional cooling rates in the macroscopically mixed regions, which affects lines driven by collisional cooling, in particular the [Ca ii] 7291, 7323 Å and [O i] 6300, 6364 Å lines. The effect is mainly related to differences in composition between macroscopically and microscopically mixed ejecta. As these lines are often used for mass determinations, this highlights the importance of how and to what extent the calcium- and oxygen-rich material is mixed. As shown in this and earlier work, both NLTE and macroscopic mixing are essential ingredients for accurately modelling the light curves and spectra of Type IIb SNe throughout their evolution.
Stellar limb darkening
Authors: Kostogryz N. M. , Witzke V. , Shapiro A. I. , Solanki S. K. , Maxted P. F. L. , Kurucz R. L. , Gizon L.
Published: July 2022

Context. The detection of the first exoplanet paved the way for the era of transit-photometry space missions with revolutionary photometric precision, whose aim is to discover new exoplanetary systems around different types of stars. With this high precision, it is possible to derive the radii of exoplanets very accurately, which is crucial for constraining their type and composition. However, it requires an accurate description of their host stars, especially their center-to-limb variation of intensities (so-called limb darkening) as it affects the planet-to-star radius ratio determination.

Aims. We aim to improve the accuracy of limb-darkening calculations for stars with a wide range of fundamental parameters.

Methods. We used the recently developed 1D Merged Parallelized Simplified ATLAS code to compute model atmosphere structures and to synthesize stellar limb darkening on a very fine grid of stellar parameters. For the computations, we utilized the most accurate information on chemical element abundances and mixing-length parameters, including convective overshoot. The stellar limb darkening was fitted using the two most accurate limb darkening laws: the power-2 and 4-parameter nonlinear laws.

Results. We present a new extensive library of stellar model atmospheric structures, the synthesized stellar limb darkening curves, and the coefficients of parameterized limb-darkening laws on a very fine grid of stellar parameters in the Kepler, TESS, CHEOPS, and PLATO passbands. The fine grid allows the sizable errors, introduced by the need to interpolate, to be overcome. Our computations of solar limb darkening are in a good agreement with available solar measurements at different view angles and wavelengths. Our computations of stellar limb darkening agree well with available measurements of Kepler stars. A new grid of stellar model structures, limb darkening, and their fitted coefficients in different broad passbands are provided in online tables available at the CDS.
Using the polarization properties of double radio relics to probe the turbulent compression scenario
Authors: Stuardi C. , Bonafede A. , Rajpurohit K. , Brüggen M. , de Gasperin F. , Hoang D. , van Weeren R. J. , Vazza F.
Published: July 2022

Context.Radio relics are megaparsec-sized synchrotron sources located in the outskirts of some merging galaxy clusters. Binary-merging systems with a favorable orientation may host two almost symmetric relics, named double radio relics.

Aims.Double radio relics are seen preferentially edge-on and, thus, constitute a privileged sample for statistical studies. Their polarization and Faraday rotation properties give direct access to the relics’ origin and magnetic fields.

Methods.In this paper, we present a polarization and rotation measure (RM) synthesis study of four clusters hosting double radio relics, namely 8C 0212+703, Abell 3365, and PLCK G287.0+32.9; previously missing polarization studies; and ZwCl 2341+0000, for which conflicting results have been reported. We used 1–2 GHz Karl G. Jansky Very Large Array observations. We also provide an updated compilation of known double radio relics with important observed quantities. We studied their polarization and Faraday rotation properties at 1.4 GHz and we searched for correlations between fractional polarization and physical resolution, the distance from the cluster center, and the shock Mach number.

Results.The weak correlations found between these quantities are well reproduced by state-of-the-art magneto-hydrodynamical simulations of radio relics, confirming that merger shock waves propagate in a turbulent medium with tangled magnetic fields. Both external and internal Faraday depolarization should play a fundamental role in determining the polarization properties of radio relics at 1.4 GHz. Although the number of double radio relics with RM information is still low, their Faraday rotation properties (i.e., rest-frame RM and RM dispersion below 40 rad m−2and non-Gaussian RM distribution) can be explained in the scenario in which shock waves with Mach numbers larger than 2.5 propagate along the plane of the sky and compress the turbulent intra-cluster medium.
Evolution of rift-related cover-basement decoupling revealed by brecciation processes in the eastern Pyrenees
Authors: Motus Martin , Nardin Elise , Mouthereau Frédéric , Denèle Yoann
Published: July 2022

Breccias associated with tectonic, fluid and sedimentary evolution of rifted margins can provide information on a variety of processes reflecting the modes of extension. In this paper, we analyse the numerous breccias exposed in the Agly Massif that was part of the European side of the Cretaceous rift now inverted in the eastern Pyrenees. Using a combination of petrologic and sedimentologic analyses, field-based structural study, and multivariate analysis of clast shape and diversity, binding lithology and size, and breccia fabrics, we distinguish 5 types of breccias reflecting depositional, tectonic, and salt-related processes. The integration of these processes in the tectonic history of the eastern Pyrenees confirms the attribution of these breccias to the Cretaceous rifting. We emphasize the major role played by the evaporitic Triassic particularly during the first stages of rifting as a major decoupling level at the basement/cover interface. Salt tectonics and shearing assisted by the circulation of fluids are reflected by hydrofracturing at the base of the Mesozoic cover. As this weak mechanical layer is later extracted as extension increases, a brittle detachment system developed along the cover-basement interface to exhume of deep crust and mantle. The relationships between brecciation and Cretaceous extension in the Pyrenees argue for a mixed mode of rifting associated with ductile and brittle deformation during the formation of the hyper-extended rift domain.
Positioning of a self-reinforced polyethylene in the industrial composites market
Authors: Roiron Coline , Lainé Eric , Grandidier Jean-Claude , Garois Nicolas , Voillequin Baptiste , Vix-Guterl Cathie
Published: July 2022

Self-reinforced composites combine lightness and increased recyclability than conventional composites. To position them within the industrial composites market (conventional composites) and simultaneously highlight their potential in a given application context, it is necessary to analyze their mechanical properties for possible exploitation. For this purpose, compression molding has been used to manufacture different composites. In this short paper, the specific tensile properties of polyethylene matrix composites reinforced with glass, carbon, flax, and polyethylene fabrics, respectively, are compared at room temperature. The results give an excellent perspective to self-reinforced polyethylene.
À propos du document de l’Agence nationale de la recherche
Les apports de la génomique à l’agroécologie
Authors: Hainzelin Étienne
Published: July 2022

Comment les outils de la génomique peuvent-ils concrètement contribuer à la transition agroécologique de la production agricole ? Cette question est traitée au travers de l’analyse d’un corpus des 1 200 projets de recherche dans les différents domaines de la génomique, financés par l’Agence nationale de la recherche (ANR) entre 2005 et 2019. L’analyse débouche sur une proposition de quatre pistes prioritaires pour les recherches futures en génomique pour l’agroécologie.