bluuebunny/crossref_metadata_2025 huggingface dataset:
Bio-based porphyrins pyropheophorbide a and its Zn-complex as visible-light photosensitizers for free-radical photopolymerization
Authors: Breloy Louise , Brezová Vlasta , Richeter Sébastien , Clément Sébastien , Malval Jean-Pierre , Abbad Andaloussi Samir , Versace Davy-Louis
Published: February 2022

Two chlorophyll a derivatives, namely pyropheophorbide a and its corresponding zinc(ii) complex, are used as visible-light photosensitizers for free-radical photopolymerization.
Terbium doped LiLuF4 nanocrystal scintillator-based flexible composite film for high resolution X-ray imaging
Authors: Lu Hao , Xu Xieming , Feng Guiqing , Sun Baoping , Wang Shuaihua , Wu Shaofan
Published: February 2022

The flexible scintillation film has high X-ray imaging spatial resolution, in which LiLuF4:15% Tb scintillation nanocrystals have excellent radioluminescence properties and low detection limits.
Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules
Authors: You Shiqi , Ruan Mengyao , Lu Cuifen , Liu Li , Weng Yue , Yang Guichun , Wang Shengchun , Alhumade Hesham , Lei Aiwen , Gao Meng
Published: February 2022

A paired electrolysis enabled cascade annulation that enables the efficient synthesis of highly functionalized quinoline-substituted bioactive molecules from readily available starting materials is reported.
PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions
Authors: Moon Seokhyun , Zhung Wonho , Yang Soojung , Lim Jaechang , Kim Woo Youn
Published: February 2022

PIGNet, a deep neural network-based drug–target interaction model guided by physics and extensive data augmentation, shows significantly improved generalization ability and model performance.
Tough and self-healing hydrogels based on transient crosslinking by nanoparticles
Authors: Hong Lihua , Liu Li , Zhang Zhimin , Song Jiazhuo , Li Siliang , Chen Kexin , Gao Guanghui , Wang Yu
Published: February 2022

Hydrogels based on a transient crosslinking network exhibited excellent mechanical strength and self-healing properties.
Torsional instability of constant viscosity elastic liquid bridges
Authors: Chan San To , Varchanis Stylianos , Haward Simon J. , Shen Amy Q.
Published: February 2022

We show by experiment and simulation that torsion can break viscoelastic liquid bridges effectively; the underlying mechanism resembles edge fracture.
Iron-catalyzed graphitization for the synthesis of nanostructured graphitic carbons
Authors: Hunter R. D. , Ramírez-Rico J. , Schnepp Z.
Published: February 2022

This review summarizes the field of iron-catalyzed graphitization, which is a simple and flexible route to produce nanostructured graphitic carbons from a wide range of organic precursors.
Augmented photoelectrochemical water reduction: influence of copper vacancies and hole-transport layer on CuBi2O4 photocathode
Authors: Gopannagari Madhusudana , Reddy D. Amaranatha , Hong Da Hye , Joshi Reddy K. Arun , Kumar D. Praveen , Ahn Hyun S. , Kim Tae Kyu
Published: February 2022

Introducing Fe-doped NiOX as hole-transport layer beneath the copper vacancies induced CuBi2O4 photocathode facilitates efficient charge separation and transfer leading to remarkably enhanced photoelectrochemical performance.
The charge density of intercalants inside layered birnessite manganese oxide nanosheets determining Zn-ion storage capability towards rechargeable Zn-ion batteries
Authors: Chomkhuntod Praeploy , Hantanasirisakul Kanit , Duangdangchote Salatan , Phattharasupakun Nutthaphon , Sawangphruk Montree
Published: February 2022

Rechargeable aqueous Zn–MnO2 batteries have been considered as one of the promising alternative energy technologies due to their high abundance, environmental friendliness, and safety of both Zn–metal anodes and manganese oxide cathodes.
A lithiophilic/lithiophobic ternary alloy anode with Ag concentration gradients guides uniform Li deposition
Authors: Liu Yulu , Li Qingwen , Yao Qiushi , Zhou Xianji , Wang Wenwen , Chen Keju , Zhu Qingquan , He Guang
Published: February 2022

A new Li–Cu–Ag ternary alloy was developed with controlled lithophilic/lithiophobic gradients to induce bottom-up Li deposition.
H/F Substitution induced switchable coordination bonds in a cyano-bridged hybrid double perovskite ferroelastic
Authors: Chen Xiao-Gang , Zhang Zhi-Xu , Zeng Yu-Ling , Tang Shu-Yu , Xiong Ren-Gen
Published: February 2022

H/F substitution successfully constructs unprecedented switchable C–F–K coordination bonds in a three-dimensional cyano-bridged double perovskite ferroelastic [(CH3)3NCH2F]2[KFe(CN)6].
Correction: Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity
Authors: Püschmann Sabrina D. , Frühwirt Philipp , Müller Stefanie M. , Wagner Stefan H. , Torvisco Ana , Fischer Roland C. , Kelterer Anne-Marie , Griesser Thomas , Gescheidt Georg , Haas Michael
Published: February 2022

Correction for ‘Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity’ by Sabrina D. Püschmann et al., Dalton Trans., 2021, 50, 11965–11974, DOI: 10.1039/D1DT02091A.
Co-assembling system that exhibits bright circularly polarized luminescence
Authors: Ryu Naoya , Harada Tomoyuki , Okazaki Yutaka , Yoshida Kyohei , Shirosaki Tomohiro , Oda Reiko , Kuwahara Yutaka , Takafuji Makoto , Ihara Hirotaka , Nagaoka Shoji
Published: February 2022

A co-assembling system composed of a nonchiral metal-free dye and chiral-molecular-assembly template can be a promising candidate for circularly-polarized luminescent materials with both a high luminescence dissymmetry factor and strong emission.
Targeting cell surface glycans with lectin-coated fluorescent nanodiamonds
Authors: Ghanimi Fard Mina , Khabir Zahra , Reineck Philipp , Cordina Nicole M. , Abe Hiroshi , Ohshima Takeshi , Dalal Sagar , Gibson Brant C. , Packer Nicolle H. , Parker Lindsay M.
Published: February 2022

Nanodiamonds were coated in lectins to target glycan receptors on astrocytes, neurons and microglia. The uptake in each cell type was variable depending on their coating of Aleuria aurantia lectin, wheat germ agglutinin or tomato lectin.
Strong interfacial energetics between catalysts and current collectors in aqueous sodium–air batteries
Authors: Baek Myung-Jin , Choi Jieun , Wi Tae-Ung , Lim Hyeong Yong , Myung Min Hoon , Lim Chanoong , Sung Jinsu , Park Jeong-Sun , Park Ju Hyun , Shim Yul Hui , Park Jaehyun , Kang Seok Ju , Kim Youngsik , Kim So Youn , Kwak Sang Kyu , Lee Hyun-Wook , Lee Dong Woog
Published: February 2022

A mussel-inspired aqueous polymer binder for an aqueous sodium–air battery has been developed. The developed polymer binder exhibited enhanced adhesion strength and electrolyte wettability, preventing catalyst detachment and carbon corrosion.
Cardiac regeneration following myocardial infarction: the need for regeneration and a review of cardiac stromal cell populations used for transplantation
Authors: Alonaizan Rita , Carr Carolyn
Published: February 2022

Myocardial infarction is a leading cause of death globally due to the inability of the adult human heart to regenerate after injury. Cell therapy using cardiac-derived progenitor populations emerged about two decades ago with the aim of replacing cells lost after ischaemic injury. Despite early promise from rodent studies, administration of these populations has not translated to the clinic. We will discuss the need for cardiac regeneration and review the debate surrounding how cardiac progenitor populations exert a therapeutic effect following transplantation into the heart, including their ability to form de novo cardiomyocytes and the release of paracrine factors. We will also discuss limitations hindering the cell therapy field, which include the challenges of performing cell-based clinical trials and the low retention of administered cells, and how future research may overcome them.
Emergent players in renovascular disease
Authors: Barsom Samer H. , Glasstetter Logan M. , Siddiqi Sarosh , Rajagopalan Kamalnath Sankaran , Eirin Alfonso , Lerman Lilach O.
Published: February 2022

Renovascular disease (RVD) remains a common etiology of secondary hypertension. Recent clinical trials revealed unsatisfactory therapeutic outcomes of renal revascularization, leading to extensive investigation to unravel key pathophysiological mechanisms underlying irreversible functional loss and structural damage in the chronically ischemic kidney. Research studies identified complex interactions among various players, including inflammation, fibrosis, mitochondrial injury, cellular senescence, and microvascular remodeling. This interplay resulted in a shift of our understanding of RVD from a mere hemodynamic disorder to a pro-inflammatory and pro-fibrotic pathology strongly influenced by systemic diseases like metabolic syndrome (MetS), hypertension, diabetes mellitus, and hyperlipidemia. Novel diagnostic approaches have been tested for early detection and follow-up of RVD progression, using new imaging techniques and biochemical markers of renal injury and dysfunction. Therapies targeting some of the pathological pathways governing the development of RVD have shown promising results in animal models, and a few have moved from bench to clinical research. This review summarizes evolving understanding in chronic ischemic kidney injury.
Hyperacusis in Children: A Thematic Analysis of Discussions in Online Forums
Authors: Potgieter Iskra , Hoare Derek J. , Fackrell Kathryn
Published: February 2022

Purpose:

Hyperacusis is commonly defined as reduced tolerance to everyday sounds leading to avoidance behavior and disrupting normal functioning. Hyperacusis is prevalent in children. However, the literature on the manifestation and impact of hyperacusis on children is scant. This qualitative study examined online discussion forums to understand the lived experiences of hyperacusis in children from a parent or carer perspective.

Method:

Posts from publicly available online discussion forums were thematically analyzed. Online searching identified 219 potentially relevant conversation threads across 18 forums and involving 1,436 forum users. A total number of 170 eligible conversation threads, containing 1,834 messages, were used in the analysis.

Results:

Thematic analysis of the data generated six themes: personal and health information about the child, onset and prognosis, bothersome sounds and characteristics, reactions, coping strategies, and impact. Hyperacusis onset was associated with loud noise, physical trauma, or stress. Bothersome sounds were categorized in terms of appliances, vehicles, public places, nature, and very loud sounds. Children's reactions included panic, shaking, and screaming. Strategies to manage hyperacusis included ear defenders, building up tolerance, and school adaptations. Hyperacusis had an impact on various aspects of the child's life including academic performance and social development.

Conclusions:

This is the first study to account for the lived experiences of children experiencing hyperacusis from a parent/carer perspective using online forum data. These findings expand on existing research on the manifestation of hyperacusis in children and provide a basis for further work improving clinical assessment and management.
Clinical Practice Patterns With Pediatric Loudness Perception Measures
Authors: Flores Ashley N. , Gustafson Samantha J.
Published: February 2022

Purpose:

Obtaining a patient's loudness discomfort level (LDL) can assist the audiologist in defining their dynamic range so that the hearing device fitting can ensure that low-level sounds are audible, average-level sounds are comfortable, and more intense sounds are loud but not too loud. A 2016 survey showed that 67.5% of 350 pediatric audiologist reported to never or rarely measure LDLs with pediatric patients. The purpose of this study was to identify factors influencing this previously reported limited use of LDL measures.

Method:

Sixty-two pediatric audiologists in the United States were surveyed using a questionnaire that sought to improve our understanding of the (non)use of loudness perception measures with pediatric patients and to assess familiarity with various loudness perception measurements. In addition, the questionnaire gathered information about the needs of pediatric audiologists in relation to LDL measures.

Results:

Audiologist report being largely unfamiliar with methods of assessing loudness perception in children, with categorical loudness scaling being the method with which they are most familiar. In addition, audiologists reported being more willing and able to measure LDLs in older compared to younger pediatric patients. Limited use of pediatric loudness perception measures appears to be driven by a lack of familiarity with measurement methods and the belief that loudness perception measures may not be useful for clinical practice.

Conclusions:

Findings highlight audiologists' need for further information regarding the relevance of loudness perception measurements with pediatric patients and the need for easy-to-implement LDL measurement procedures for pediatric patients of all ages.
Advocacy Engagement and Self-Efficacy of School-Based Speech-Language Pathologists
Authors: Lugo Victor A. , Wood Carla , Farquharson Kelly
Published: February 2022

Purpose:

The purpose of this study was to investigate advocacy engagement and self-efficacy of school-based speech-language pathologists (SLPs) and their perceptions of key issues in education and challenges to advocacy.

Method:

A 75-item survey was used to solicit information about advocacy-related experiences of 194 school-based SLPs. The survey included subsections on advocacy engagement, identity, training, and self-efficacy and solicited open-ended responses regarding perceived issues and hindrances.

Results:

Results demonstrated low percentages of respondents had received training in advocacy (15%) and participated in an event (14%). A high percentage of respondents (45%) reported feeling ill-equipped to advocate but viewed their role as advocates to be important. Overall, respondents self-rated as moderately efficacious advocates. Age and perceived advocacy importance were significant predictors of self-efficacy. Frequently cited issues in education included lack of resources and support for educators and students, teachers' rights, and mental health. Common challenges to advocacy included time constraints, lack of knowledge and support, and fear of retaliation.

Conclusions:

Based on reported challenges to advocacy, more research is necessary to further investigate the extent these factors influence engagement and self-efficacy. As SLPs in this study viewed their advocacy role to be important but perceived themselves to be unprepared, additional training and professional development opportunities could support the degree to which SLPs engage in advocacy and perceive themselves to be effective advocates.

Supplemental Material:

https://doi.org/10.23641/asha.19111532
Revealing new high-redshift quasar populations through Gaussian mixture model selection
Authors: Wagenveld J. D. , Saxena A. , Duncan K. J. , Röttgering H. J. A. , Zhang M.
Published: February 2022

We present a novel method for identifying candidate high-redshift quasars (HzQs;z ≳ 5.5) –which are unique probes of supermassive black hole growth in the early Universe– from large-area optical and infrared photometric surveys. Using Gaussian mixture models to construct likelihoods and incorporating informed priors based on population statistics, our method uses a Bayesian framework to assign posterior probabilities that differentiate between HzQs and contaminating sources. We additionally include deep radio data to obtain informed priors. Using existing HzQ data in the literature, we set a posterior threshold that accepts ∼90% of known HzQs while rejecting > 99% of contaminants such as dwarf stars or lower redshift galaxies. Running the probability selection on test samples of simulated HzQs and contaminants, we find that the efficacy of the probability method is higher than traditional colour cuts, decreasing the fraction of accepted contaminants by 86% while retaining a similar fraction of HzQs. As a test, we apply our method to the Pan-STARRS Data Release 1 (PS1) source catalogue within the HETDEX Spring field area on the sky, covering 400 sq. deg. and coinciding with deep radio data from the LOFAR Two-metre Sky Survey Data Release 1. From an initial sample of ∼5 × 105sources in PS1, our selection shortlists 251 candidate HzQs, which are further reduced to 63 after visual inspection. Shallow spectroscopic follow-up of 13 high-probability HzQs resulted in the confirmation of a previously undiscovered quasar atz = 5.66 with photometric coloursi − z = 1.4, lying outside the typically probed regions when selecting HzQs based on colours. This discovery demonstrates the efficacy of our probabilistic HzQ selection method in selecting more complete HzQ samples, which holds promise when employed on large existing and upcoming photometric data sets.
Searching for the origin of the Ehrenreich effect in ultra-hot Jupiters
Authors: Sánchez-López A. , Landman R. , Mollière P. , Casasayas-Barris N. , Kesseli A. Y. , Snellen I. A. G.
Published: February 2022

Extreme temperature contrasts between the day and nightside of ultra-hot Jupiters result in significantly asymmetric atmospheres, with a large expansion occurring over a small range of longitude around the terminator. Over the course of a transit, WASP-76 b rotates by about 30°, changing the observable part of the atmosphere and invoking variations in the appearance of its constituents. Specifically, during the latter part of the transit, the planet’s trailing limb probes an increasing portion of its inflated dayside, which has a higher atmospheric detectability in transmission. As recently reported, this results in time-variable effects in the neutral iron signal, which are amplified by its possible condensation on the nightside. Here, we study the presence of molecular signals during a transit of WASP-76 b observed with the CARMENES spectrograph and compare the contributions from this planet’s morning and evening terminators. The results are somewhat puzzling, with formal detections of water vapor (5.5σ) and hydrogen cyanide (5.2σ) but at significantly different positions in the KP−Vsys diagram, with a blueshift of −14.3 ± 2.6 km s−1 and a redshift of +20.8−3.9+7.8 km s−1 respectively, and a higher KP than expected. The H2O signal also appears stronger later on in the transit, in contrast to that of HCN, which seems stronger early on. We tentatively explain this by silicate clouds forming and raining out on the nightside of the planet, partially removing oxygen from the upper atmosphere. For atmospheric C/O values between 0.7 and 1, this leads to the formation of HCN at the planet’s morning limb. At the evening terminator, with the sequestered oxygen being returned to the gas phase due to evaporation, these C/O values lead to formation of H2O instead of HCN. Overall, if confirmed, these observations indicate that individual molecules trace different parts of the planet atmosphere, as well as nightside condensation, allowing spatial characterization. As these results are based on a single transit observation, we advocate that more data are needed to confirm these results and further explore these scenarios.
Retraction Note: Effects of Fe2+ on Moisture Resistance of Fluoride Red Phosphors
Authors: Wenting Cai
Published: February 2022

The Guest Editor(s) and the author have retracted this article. Actually, due to an error in analysis, the above-mentioned article has been improperly published in Web of Conferences. The Publisher approved to the retraction.
Weakly protected nodes in random binary search trees
Authors: Mohammad Nezhad Ezzat , Javanian Mehri , Imany Nabiyyi Ramin
Published: February 2022

Here, we derive the exact mean and variance of the number of weakly protected nodes (the nodes that are not leaves and at least one of their children is not a leaf) in binary search trees grown from random permutations. Furthermore, by using contraction method, we prove normal limit law for a properly normalized version of this tree parameter.
Structural analysis, mechanical and damping behaviour of Al-Zn based composites reinforced with Cu and SiC particles
Authors: Alaneme Kenneth Kanayo , Ojomo Abimbola Mary , Bodunrin Michael Oluwatosin
Published: February 2022

The structural characteristics, mechanical and damping properties of stir-cast Al-10 wt.% Zn based composites developed using 6 and 8 wt.% Cu, and 8 wt.% SiC particles as reinforcements, were investigated. The low porosity (<4%), near absence of dissolved Cu in the Al-Zn matrix, and marginal presence of melt reaction-induced intermetallic phases, attest to the soundness of the castings. Besides hardness, the strength parameters − ultimate tensile strength (149.33 MPa and 138.64 MPa) and specific strength (54.3 MPa cm3 g−1 and 51.16 MPa cm3 g−1) − of the Al-Zn composites reinforced with 6 and 8 wt.% Cu, were superior to that of the unreinforced Al-Zn alloy (103.47 MPa) and the 8 wt.% SiC reinforced composite (130.5 MPa). The fracture toughness (17.32 MPa m1/2 and 13.66 MPa m1/2) and percentage elongation (15% and 12.5%) of the 6 and 8 wt.% Cu reinforced Al-Zn composites, also surpassed that reinforced with SiC (KIC − 12.28 MPa m1/2; % εf − 9.5%). Improved matrix/particles interphase bonding and the inherent ductile and tough nature of Cu over SiC, were cited responsible for the improved strength-ductility-toughness balance of the Al-Zn/Cu composites over that reinforced with SiC. The damping properties were generally temperature sensitive, with all compositions exhibiting increase in damping capacity at test temperatures 100–200 °C.
Sucht und Gewalt
Authors: Bischof Gallus
Published: February 2022

Liebe Leserinnen und Leser,

sowohl Abhängigkeitserkrankungen als auch gewalttätiges Verhalten
sind hochgradig prävalente und zugleich stigmatisierte Verhaltensweisen, die
zudem signifikant miteinander assoziiert sind. Menschen mit Suchterkrankungen sind
dabei überzufällig oft Täter:innen, aber auch Opfer. Ein
Effekt der Stigmatisierung ist auch, dass Gewalterfahrungen – aktiv und
passiv – noch immer nicht routinemäßig in der Behandlung von
Abhängigkeitserkrankungen erfasst werden. Erste Hinweise deuten zudem darauf
hin, dass durch die Pandemie das Ausmaß substanzinduzierter
häuslicher Gewalt noch zugenommen hat. Das vorliegende Schwerpunktheft soll
den Zusammenhang von Sucht und Gewalt und Implikationen für
Prävention und Behandlung exemplarisch an ausgewählten Themenfeldern
darstellen, wissend, dass viele Facetten des überaus komplexen
Zusammenhanges wie z. B. Aspekte struktureller Gewalt infolge von
Kriminalisierung und Ausgrenzung suchtkranker Menschen offen bleiben werden.
Association Between Prediabetes and Osteoarthritis: A
Meta-Analysis
Authors: Li Xi , Zhou Yong , Liu Jianxiu
Published: February 2022

Some studies have suggested that diabetes may be a risk factor for
osteoarthritis. However, whether prediabetes is also associated with
osteoarthritis has not been comprehensively examined. We performed a
meta-analysis to evaluate the relationship between prediabetes and
osteoarthritis. This meta-analysis included relevant observational studies from
Medline, Embase, and Web of Science databases. A random-effect model after
incorporation of the intra-study heterogeneity was selected to pool the results.
Ten datasets from six observational studies were included, which involved 41 226
general adults and 10 785 (26.2%) of them were prediabetic. Pooled
results showed that prediabetes was not independently associated with
osteoarthritis [risk ratio (RR): 1.07, 95% confidence interval (CI):
1.00 to 1.14, p=0.06, I2=0%]. Sensitivity
limited to studies with adjustment of age and body mass index showed consistent
result (RR: 1.06, 95% CI: 0.99 to 1.14, p=0.09,
I2=0%). Results of subgroup analyses showed that
prediabetes was not associated with osteoarthritis in cross-sectional or cohort
studies, in studies including Asian or non-Asian population, or in studies with
different quality scores (p for subgroup difference>0.10). Besides,
prediabetes was not associated with osteoarthritis in men or in women, in
studies with prediabetes defined as impaired fasting glucose, impaired glucose
tolerance, or HbA1c (approximately 39–46 mmol/mol).
Moreover, prediabetes was not associated with overall osteoarthritis, and knee
or hip osteoarthritis. Current evidence does not support that prediabetes is
independently associated with osteoarthritis in adult population.
Transanal Minimally-Invasive Surgery (TAMIS): Experience with No Closure of the Rectal Defect
Authors: Naiderman Diego , Tufare Ana Laura , Trinchero Lady Beatriz , Rossi Fernando , Dolan Martín , Cano Diego Martín , Fagalde Rafael López , Jury Gastón Leonardo
Published: February 2022

Background In transanal minimally-invasive surgery (TAMIS), the closure of the rectal defect is controversial, and endoluminal suture is one of the most challenging aspects. The goal of the present study is to evaluate the short- and medium-term complications of a consecutive series of patients with extraperitoneal rectal injuries who underwent TAMIS without closure of the rectal defect.

Materials and Methods A prospective, longitudinal, descriptive study conducted between August 2013 and July 2019 in which all patients with extraperitoneal rectal lesions, who were operated on using the TAMIS technique, were consecutively included. The lesions were: benign lesions ≥ 3 cm; neuroendocrine tumors ≤ 2 cm; adenocarcinomas in stage T1N0; and adenocarcinomas in stage T2N0, with high surgical risk, or with the patients reluctant to undergo radical surgery, and others with doubts about complete remission after the neoadjuvant therapy. Bleeding, infectious complications, rectal stenosis, perforations, and death were evaluated.

Results A total of 35 patients were treated using TAMIS without closure of the defect. The average size of the lesions was of 3.68 ± 2.1 cm (95% confidence interval [95%CI]: 0.7 cm to 9 cm), their average distance from the anal margin was of 5.7 ± 1.48 cm, and the average operative time was of 39.2 ± 20.5 minutes, with a minimum postoperative follow-up of 1 year. As for the pathologies, they were: 15 adenomas; 3 carcinoid tumors; and 17 adenocarcinomas. In all cases, the rectal defect was left open.

The overall morbidity was of 14.2%. Two patients (grade II in the Clavien-Dindo classification) were readmitted for pain treatment, and three patients (grade III in the Clavien-Dindo classification) were assisted due to postoperative bleeding, one of whom required reoperation.

Conclusion The TAMIS technique without closure of the rectal defect yields good results, and present a high feasibility and low complication rate.
Silver-Catalyzed One-Pot Biarylamination of Quinones with Arylamines: Access to N-Arylamine-Functionalized p-Iminoquinone Derivatives
Authors: Dong Yu , Li Zhong-Hui , He Bing , Jiang Hui , Chen Xiang-Long , Ye Ji-Xian , Zhou Qiang , Gao Long-Sen , Luo Qi-Qi , Shi Zhi-Chuan
Published: February 2022

Concise one-pot biarylamination of quinones with arylamines was developed to synthesize N-arylamine-functionalized p-iminoquinones derivatives. The approach employed AgOAc as the catalyst and (NH4)2S2O8 as the oxidant in the presence of 3-chlorophenylboronic acid, giving a series of N-arylamine-functionalized p-iminoquinone derivatives in moderate to good yields whereas reaction in the absence of the 3-chlorophenylboronic acid, gave a series of N-arylamine-functionalized 1,4-naphthoquinone derivatives. This catalytic approach represents a step-economic and convenient strategy for the difunctionalization of quinones.
Reading skills intervention during the Covid-19 pandemic
Authors: Sucena Ana , Silva Ana Filipa , Marques Cátia
Published: February 2022

This paper diagnoses the reading skills at the onset of second grade after one (final) trimester of first grade, with online schooling as a result of COVID-19. It also describes and assesses the impact of a Reading Skills Consolidating Program conducted with second graders during the first weeks of the school year. This intervention program focuses on the promotion of letter-sound, phonemic awareness, decoding and spelling. The intervention was implemented with 446-second graders (224 boys and 208 girls), preceded and followed by a reading assessment. Results were analyzed with an intra (pre- and post-test) group design. A paired sample t-test indicated the presence of statistically significant differences between the two assessment moments, with higher values at the post-test. At the pre-test, there was a significantly higher than the normally expected percentage of students with a reading level on or below the 10th percentile along with a significantly worse performance among low Socioeconomic Status (SES) students. The post-test revealed a positive impact of the training program, as indicated by (i) a decrease to about half of the number of students at or below the 10th percentile, (ii) an increase of 20% of students with reading skills at or above the 30th percentile and (iii) the difference decrease in reading skills in a result of SES.
Don’t lose your marbles: refilling liquid marbles counteracts evaporation, collapse
Authors: Piccone Ashley
Published: February 2022

Technique uses condensation principles to noninvasively refill liquid marbles for chemical reactions, microfluidics applications
Network rewiring promotes cooperation in an aspirational learning model
Authors: Pal Anuran , Sengupta Supratim
Published: February 2022

We analyze a cooperative decision-making model that is based on individual aspiration levels using the framework of a public goods game in static and dynamic networks. Sensitivity to differences in payoff and dynamic aspiration levels modulates individual satisfaction and affects subsequent behavior. The collective outcome of such strategy changes depends on the efficiency with which aspiration levels are updated. Below a threshold learning efficiency, cooperators dominate despite short-term fluctuations in strategy fractions. Categorizing players based on their satisfaction level and the resulting strategy reveal periodic cycling between the different categories. We explain the distinct dynamics in the two phases in terms of differences in the dominant cyclic transitions between different categories of cooperators and defectors. Allowing even a small fraction of nodes to restructure their connections can promote cooperation across almost the entire range of values of learning efficiency. Our work reinforces the usefulness of an internal criterion for strategy updates, together with network restructuring, in ensuring the dominance of altruistic strategies over long time-scales.
Effect of impurities from deposition precursors on the electronic properties of Si/SiO2 interfaces
Authors: Li Hu , Inagaki Kouji , Morikawa Yoshitada
Published: February 2022

In this study, we investigated the effect of impurities—carbon (C), nitrogen (N), and fluorine—on the electronic properties of a Si/SiO2 interface by measuring the atomic layer-resolved partial local density of states using first-principles simulations. Our results show that C and N impurity atoms with dangling bonds (DBs) induce midgap states at the interface. If DBs are terminated by hydrogen atoms, the formation of midgap states is effectively suppressed even in the presence of impurity atoms at the interface. If DBs are terminated by an oxygen (O) atom, both π bonding and π∗ antibonding orbitals of C=O are occupied and such occupied antibonding orbital forms a midgap state at the interface, increasing the leakage current. Based on these observations, we propose that preparation of the SiO2 substrate with oxygen-rich conditions prior to Si deposition is important in realizing a defect-tolerant interface. In addition, hydrogen treatment after Si deposition recovers the pure band structure by terminating the midgap states, thereby preventing leakage current.
Molecular theory of the static dielectric constant of dipolar fluids
Authors: Kournopoulos S. , Haslam A. J. , Jackson G. , Galindo A. , Schoen M.
Published: February 2022

The link between the static dielectric constant and the microscopic intermolecular interactions is the Kirkwood g1 factor, which depends on the orientational structure of the fluid. Over the years, there have been several attempts to provide an accurate description of the orientational structure of dipolar fluids using molecular theories. However, these approaches were either limited to mean-field approximations for the pair correlation function or, more recently, limited to adjusting the orientational dependence to simulation data. Here, we derive a theory for the dielectric constant of dipolar hard-sphere fluids using the augmented modified mean-field approximation. Qualitative agreement is achieved throughout all relevant thermodynamic states, as demonstrated by a comparison with simulation data from the literature. Excellent quantitative agreement can be obtained using a single empirical scaling factor, the physical origin of which is analyzed and accounted for. In order to predict the dielectric constant of the Stockmayer fluid (Lennard-Jones plus dipole potential), we use an adjusted version of the expression for the dipolar hard-sphere fluid. Comparing theoretical predictions with newly generated simulation data, we show that it is possible to obtain excellent agreement with simulation by performing the calculations at a corresponding state using the same scaling factor. Finally, we compare the theoretical orientational structure of the Stockmayer fluid with that obtained from simulations. The simulated structure is calculated following a post-processing methodology that we introduce by deriving an original expression that relates the proposed theory to the histogram of relative dipole angles.
Aerosol transmission in passenger car cabins: Effects of ventilation configuration and driving speed
Authors: Mathai Varghese , Das Asimanshu , Breuer Kenneth
Published: February 2022

Identifying the potential routes of airborne transmission during transportation is of critical importance to limit the spread of the SARS-CoV-2 virus. Here, we numerically solve the Reynolds-averaged Navier–Stokes equations along with the transport equation for a passive scalar in order to study aerosol transmission inside the passenger cabin of an automobile. Extending the previous work on this topic, we explore several driving scenarios including the effects of having the windows fully open, half-open, and one-quarter open, the effect of opening a moon roof, and the scaling of the aerosol transport as a function of vehicle speed. The flow in the passenger cabin is largely driven by the external surface pressure distribution on the vehicle, and the relative concentration of aerosols in the cabin scales inversely with vehicle speed. For the simplified geometry studied here, we find that the half-open windows configuration has almost the same ventilation effectively as the one with the windows fully open. The utility of the moonroof as an effective exit vent for removing the aerosols generated within the cabin space is discussed. Using our results, we propose a “speed–time” map, which gives guidance regarding the relative risk of transmission between driver and passenger as a function of trip duration and vehicle speed. A few strategies for the removal of airborne contaminants during low-speed driving, or in a situation where the vehicle is stuck in traffic, are suggested.
Enhancing particle transport in deformable micro-channels
Authors: Torrenegra-Rico J. D. , Arango-Restrepo A. , Rubí J. M.
Published: February 2022

It is shown that the action of an oscillating force on particles moving through a deformable-walled channel causes them to travel greater distances than in the case of a rigid channel. This increase in the transport efficiency is due to an intensification of the stochastic resonance effect observed in corrugated rigid channels, for which the response to the force is maximal for an optimal value of the thermal noise. The distances traveled by the particles are even larger when the oscillation of the micro-channel is synchronized with that of an applied transverse force and also when a constant external force is considered. The phenomenon found could be observed in the transport of particles through elastic porous media, in drug delivery to cancerous tissues, and in the passage of substrates through transporters in biological membranes. Our results indicate that an appropriate channel design and a suitable choice of applied forces lead to optimal scenarios for particle transport.
Double amplitude freedom Gerchberg–Saxton algorithm for generation of phase-only hologram with speckle suppression
Authors: Liu Kexuan , He Zehao , Cao Liangcai
Published: February 2022

The Gerchberg–Saxton (GS) algorithm is a widely employed algorithm for the calculation of a phase-only hologram (POH). However, the POH that can strictly satisfy the amplitude constraints on the object and the holographic plane may not exist or be obtained, resulting in speckle noise and reduction of the reconstruction quality. Relaxing the amplitude constraint during the iterations is an effective method to solve the above problem. In this work, a GS-double amplitude freedom (GS-DAF) algorithm is proposed. The amplitude constraint relaxation is realized by both the combined amplitude constraint and the support constraint. The spherical initial phase and oversampling method are applied to further improve the optical reconstruction quality of the GS-DAF algorithm. An enhanced reconstruction quality with less speckle noise has been achieved. The peak signal-to-noise ratio can be improved from 14.98 to 33.32 dB after 200 iterations.
Multicolor concentric ultrafast vortex beams with controllable orbital angular momentum
Authors: Huang Shunlin , Wang Peng , Shen Xiong , Liu Jun , Li Ruxin
Published: February 2022

Increasing any degree of freedom of vortex light beam can broaden the application area of this special light beam. Here, up to nine multicolor concentric ultrafast vortex beams (MUCU-VBs) with controllable orbital angular momentum (OAM) are generated simultaneously using cascaded four-wave mixing in an yttrium aluminum garnet plate. The topological charges (TCs) of the MUCU-VBs are controllable by changing the TCs of the two input pump beams. The MUCU-VBs can be manipulated simultaneously in temporal, spatial, and spectral domains and OAM state, which will be of wide and special applications, such as multicolor pump-probe experiments, simultaneous microparticle manipulation, and optical communication. Moreover, the special focusing properties of the multicolor ultrafast sidebands, such as multi-focus of different wavelengths, may further extend their application areas. The method can be used to generate MUCU-VBs in other spectral ranges such as UV or mid-infrared.
Cavity dynamics in the oblique water entry of a cylinder at constant velocity
Authors: Hong Yao , Zhao Zhenxi , Gong Zhaoxin , Liu Hua
Published: February 2022

Transient cavity dynamics in the oblique water entry of a cylinder at a constant velocity is investigated. The drag force exerted on the cylinder is measured by a force sensor, and the evolution of a cavity is recorded simultaneously by a high-speed camera. A simple theoretical model, based on the decomposition of gravity force, is proposed to describe the asymmetric cavity formed in the oblique water entry. Theoretically predicted cavity shapes compare favorably with the experimental and numerical results. Moreover, it is found that with a factor indicating the effect of entry angle, the pinch-off time and position in oblique and vertical water entry problems follow the same scaling law.
Improved hole injection for CsPbI3 nanocrystals based light-emitting diodes via coevaporation of hole transport layer
Authors: Qin Feisong , Lu Po , Sun Siqi , Bai Xue , Wang Yanping , Lu Min , Zhang Yu
Published: February 2022

To achieve balanced carrier transport and further improve the device performances of CsPbI3 nanocrystals-based light-emitting diodes, the 1,1-bis-(4-bis(4-tolyl)-aminophenyl) cyclohexene (TCTA) with high hole mobility was doped into a 4,4,4″-tris(carbazol-9-yl) triphenylamine hole transport layer (HTL) by a coevaporation method. The introduction of TAPC reduced hole injection barrier and improved mobility of the HTL. By adjusting the doping ratio of TAPC, highly efficient charge injection and more balanced carrier transport were obtained. Consequently, the mixed HTL based device showed elevated device performances with a maximum luminance of 3308 cd m−2 and a peak external quantum efficiency of 10.7%.
Snowy River environmental flows post-2002: lessons to be learnt
Authors: Bender Isobel , Pittock James , Roberts Jane
Published: February 2022

In 2002, the Australian, New South Wales and Victorian governments agreed to the Snowy Water Inquiry Outcomes Implementation Deed for environmental flows to (in part) restore the health of the Snowy River in south-eastern Australia. This was the first legally binding commitment to deliver annual environmental flows in Australia. Twenty years on, we assess this Deed and its implementation to derive lessons that can inform environmental flows agreements globally. Information from governance documents, flow release data and interviews with stakeholders are used to evaluate the effectiveness of the Deed. The target of 212 GL year−1 from 2012 has not once been reached. In turn, we find that implementation has been hindered by release of too little water, overly complex institutions that lack ownership and accountability, and no provision for review of the Deed. The lessons for effective environmental flow institutions are: (a) set clear, science-based environmental restoration objectives with stakeholders; (b) make roles and responsibilities for implementation clear; (c) enable independent and transparent monitoring, reporting and regulation; and (d) undertake periodic review to incorporate new knowledge, and to adapt to climatic and other unanticipated changes.
DNA methylation analysis using bisulphite-based amplicon sequencing of individuals exposed to maternal tobacco use during pregnancy, and offspring conduct problems in childhood and adolescence
Authors: Noble Alexandra J. , Pearson John F. , Noble Alasdair D. , Boden Joseph M. , Horwood L. John , Kennedy Martin A. , Osborne Amy J.
Published: February 2022

Maternal tobacco smoking during pregnancy is a large driver of health inequalities and a higher prevalence of conduct problem (CP) has been observed in exposed offspring. Further, maternal tobacco use during pregnancy can also alter offspring DNA methylation. However, currently, limited molecular evidence has been found to support this observation. Thus we aim to examine the association between maternal tobacco use in pregnancy and offspring CP, to determine whether offspring CP is mediated by tobacco exposure-induced DNA methylation differences. Understanding the etiology of the association between maternal tobacco use and offspring CP will be crucial in the early identification and treatment of CP in children and adolescents. Here, a sub group of N = 96 individuals was sourced from the Christchurch Health and Development Study, a longitudinal birth cohort studied for over 40 years in New Zealand. Whole blood samples underwent bisulphite-based amplicon sequencing at 10 loci known to play a role in neurodevelopment, or which had associations with CP phenotypes. We identified significant (P < 0.05) differential DNA methylation at specific CpG sites in CYP1A1, ASH2L and MEF2C in individuals with CP who were exposed to tobacco in utero. We conclude that environmentally-induced DNA methylation differences could play a role in the observed link between maternal tobacco use during pregnancy and childhood/adolescent CP. However, larger sample sizes are needed to produce an adequate amount of power to investigate this interaction further.
Single-domain Bose condensate magnetometer achieves energy resolution per bandwidth below ℏ
Authors: Palacios Alvarez Silvana , Gomez Pau , Coop Simon , Zamora-Zamora Roberto , Mazzinghi Chiara , Mitchell Morgan W.
Published: February 2022

Significance

Energy resolution per bandwidth

E
R

is a cross-technology figure of merit that quantifies the combined spatial, temporal, and field resolution of a magnetic sensor. Today’s best-developed magnetometer technologies, including superconducting quantum interference devices, spin-exchange relaxation-free Rb vapors, and nitrogen-vacancy centers in diamond, are limited by quantum noise to

E
R

≳
ℏ

. Meanwhile, important sensing applications, e.g., noninvasive discrimination of individual brain events, would be enabled by

E
R

<
ℏ

. This situation has motivated proposals for sensors operating by new physical principles. Our result,

E
R

=
0.075
(
16
)
ℏ

, far beyond the best possible performance of established sensor technologies, confirms the potential of this class of proposed sensors. The result opens horizons for condensed matter, neuroscience, and tests of fundamental physics.
Universal stabilization of the influenza hemagglutinin by structure-based redesign of the pH switch regions
Authors: Milder Fin J. , Jongeneelen Mandy , Ritschel Tina , Bouchier Pascale , Bisschop Ilona J. M. , de Man Martijn , Veldman Daniel , Le Lam , Kaufmann Baerbel , Bakkers Mark J. G. , Juraszek Jarek , Brandenburg Boerries , Langedijk Johannes P. M.
Published: February 2022

Significance

Influenza hemagglutinin (HA) is a prototypical class I fusion protein and a major component of current flu vaccines. HA is a metastable glycoprotein and undergoes conformational changes to the so-called postfusion state. Stabilization of the prefusion conformations of fusion proteins has proven to be a key success factor for the induction of efficacious immune response and stabilization has become a grand challenge in structural vaccinology. The study shows that three stabilizing mutations in two important pH-sensitive switch regions involved in the early refolding process impede refolding of the prefusion HA. Based on the substitutions of these highly conserved and buried HA residues a generally applicable stabilization strategy for all subtypes of group 1 and 2 influenza A HA was developed.