bluuebunny/crossref_metadata_2025 huggingface dataset:
Socioeconomic inequality in mental well-being associated with COVID-19 containment measures in a low-incidence Asian globalized city
Authors: Chung Roger Yat-Nork , Chung Gary Ka-Ki , Chan Siu-Ming , Chan Yat-Hang , Wong Hung , Yeoh Eng Kiong , Allen Jessica , Woo Jean , Marmot Michael
Published: November 2021

The COVID-19 pandemic exposes and amplifies pre-existing inequalities even in places with relatively well-controlled outbreaks such as Hong Kong. This study aimed to explore whether the socioeconomically disadvantaged fare worse via various types of worry in terms of their mental health and well-being. Between September and October 2020, 1067 adults in Hong Kong were recruited via a cross-sectional population-wide telephone survey. The inter-relationship between deprivation, types of worry, mental health disorders, and subjective well-being was assessed using structural equation modelling. Results showed significant total effects of deprivation on worries about being infected (p = 0.002), economic activities and livelihood (p < 0.001), and personal savings (p < 0.001), as well as mental health disorders (p < 0.001) and subjective well-being (p < 0.001). Specifically, worry about economic activities and livelihood partly mediated the total effect of deprivation on mental health disorders (p = 0.004), whereas worry about personal savings and worry about economic activities and livelihood partially mediated the total effect of deprivation on subjective well-being (p = 0.007 and 0.002, respectively). Socioeconomic inequality, particularly in mental health and well-being, could be exacerbated via people’s economic concerns during the pandemic, which was largely induced by the COVID-19 containment measures rather than the pandemic per se given the relatively low COVID-19 incidence in Hong Kong.
Norovirus outbreaks in long-term care facilities in Catalonia from 2017 to 2018
Authors: Parrón Ignacio , Barrabeig Irene , Alseda Miquel , Rius Cristina , Cornejo-Sánchez Thais , Jané Mireia , Pérez Cristina , Guix Susana , Domínguez Àngela ,   the Working Group for the Study of Outbreaks of Acute Gastroenteritis in Catalonia, Pérez Cristina , Álvarez Josep , Barrabeig Irene , Sala Maria Rosa , Belver Anna Isabel , Rovira Ariadna , Parrón Ignacio , Coronas Lorena , Alsedà Miquel , Godoy Pere , de Andres Anna , de Benito Javier , Camprubí Esteve , Cunillé Montse , Lluïsa Forns M. , Moreno-Martínez Antonio , Razquín Efrén , Sabaté Sara , de Simón Mercé , Rius Cristina , Domínguez Àngela , Soldevila Núria , Bartolomé Rosa , Cornejo-Sánchez Thais , Jané Mireia , Martínez Ana , Torner Núria , Izquierdo Conchita , Vileu Rosa Maria , Guix Susana , Camps Neus , Sabaté Maria , Minguell Sofia , Carol Monica
Published: December 2021

Norovirus is the leading cause of outbreaks of acute viral gastroenteritis. We carried out this study to investigate outbreaks in long-term care facilities reported in 2017 and 2018 in Catalonia (Spain). The characteristics of the centers, exposed persons and the genogroups responsible were analyzed. Viral loads were estimated. The attack rate (AR) of the outbreaks studied, and the rate ratio (RR) and the odds ratio (OR) and their 95% confidence intervals as measures of association were calculated. The mean cycle thresholds were compared using the t-test for independent means. We included 30 outbreaks (4631 exposed people). The global AR was 25.93%. The RR of residents vs. staff was 2.28 (95% CI 2.0–2.6). The RR between AR in residents with total or severe dependence vs. residents with moderate, low or no-dependence was 1.23 (95% CI 1.05–1.45). The AR were higher in smaller centers than in larger ones (38.47% vs. 19.25% and RR 2; 95% CI 1.82–2.2). GII was responsible for 70% of outbreaks. No association was found between the genogroup and presenting symptoms (OR 0.96; 95% CI 0.41–2.26). Viral loads were higher in symptomatic than in asymptomatic patients (p = 0.001).
A novel RNA-mediated mechanism causing down-regulation of insulating promoter interactions in human embryonic stem cells
Authors: Liu Yingjuan , Williams Simon G. , Jones Hayden R. , Keavney Bernard D. , Choy Mun-Kit
Published: December 2021

The genome-wide promoter interactome is primarily maintained and regulated by architectural proteins such as CTCF and cohesin. However, some studies suggest a role for non-coding RNAs (ncRNAs) in this process. We aimed to characterise the regulatory role of RNA-mediated promoter interactions in the control of gene expression. We integrated genome-wide datasets of RNA-chromatin and promoter-genome interactions in human embryonic stem cells (hESCs) to identify putative RNA-mediated promoter interactions. We discovered that CTCF sites were enriched in RNA-PIRs (promoter interacting regions co-localising with RNA-chromatin interaction sites) and genes interacting with RNA-PIRs containing CTCF sites showed higher expression levels. One of the long noncoding RNAs (lncRNAs) expressed in hESCs, Syntaxin 18-Antisense 1 (STX18-AS1), appeared to be involved in an insulating promoter interaction with the neighbouring gene, MSX1. By knocking down STX18-AS1, the MSX1 promoter-PIR interaction was intensified and the target gene (MSX1) expression was down-regulated. Conversely, reduced MSX1 promoter-PIR interactions, resulting from CRISPR-Cas9 deletion of the PIR, increased the expression of MSX1. We conclude that STX18-AS1 RNA antagonised local CTCF-mediated insulating promoter interactions to augment gene expression. Such down-regulation of the insulating promoter interactions by this novel mechanism may explain the higher expression of genes interacting with RNA-PIRs linked to CTCF sites.
Biodegradation and metabolic pathway of sulfamethoxazole by Sphingobacterium mizutaii
Authors: Song Jinlong , Hao Guijie , Liu Lu , Zhang Hongyu , Zhao Dongxue , Li Xingyang , Yang Zhen , Xu Jinhua , Ruan Zhiyong , Mu Yingchun
Published: November 2021

Sulfamethoxazole (SMX) is the most commonly used antibiotic in worldwide for inhibiting aquatic animal diseases. However, the residues of SMX are difficult to eliminate and may enter the food chain, leading to considerable threats on human health. The bacterial strain Sphingobacterium mizutaii LLE5 was isolated from activated sludge. This strain could utilize SMX as its sole carbon source and degrade it efficiently. Under optimal degradation conditions (30.8 °C, pH 7.2, and inoculum amount of 3.5 × 107 cfu/mL), S. mizutaii LLE5 could degrade 93.87% of 50 mg/L SMX within 7 days. Four intermediate products from the degradation of SMX were identified and a possible degradation pathway based on these findings was proposed. Furthermore, S. mizutaii LLE5 could also degrade other sulfonamides. This study is the first report on (1) degradation of SMX and other sulfonamides by S. mizutaii, (2) optimization of biodegradation conditions via response surface methodology, and (3) identification of sulfanilamide, 4-aminothiophenol, 5-amino-3-methylisoxazole, and aniline as metabolites in the degradation pathway of SMX in a microorganism. This strain might be useful for the bioremediation of SMX-contaminated environment.
Microplastics pollution in salt pans from the Maheshkhali Channel, Bangladesh
Authors: Rakib Md. Refat Jahan , Al Nahian Sultan , Alfonso María B. , Khandaker Mayeen Uddin , Enyoh Christian Ebere , Hamid Fauziah Shahul , Alsubaie Abdullah , Almalki Abdulraheem S. A. , Bradley D. A. , Mohafez Hamidreza , Islam Mohammad Aminul
Published: November 2021

Microplastics (MP) were recognized as an emergent pollution problem due to their ubiquitous nature and bioaccumulative potential. Those present in salt for consumption could represent a human exposure route through dietary uptake. The current study, conducted in Bangladesh, reports microplastics contamination in coarse salt prepared for human consumption. Sea salt samples were collected from eight representative salt pans located in the country's largest salt farming area, in the Maheshkhali Channel, along the Bay of Bengal. Microplastics were detected in all samples, with mean concentrations ranging from 78 ± 9.33 to 137 ± 21.70 particles kg−1, mostly white and ranging in size from 500–1000 µm. The prevalent types were: fragments (48%) > films (22%) > fibers (15%) > granules and lines (both 9%). Fourier transform mid-IR and near-IR spectra (FT-MIR-NIR) analysis registered terephthalate (48%), polypropylene (20%), polyethylene (17%), and polystyrene (15%) in all samples. These results contribute to the MP's pollution knowledge in sea salts to understand and reduce this significant human exposure route and environmental pollution source in the future.
Retraction Note: GraphCovidNet: A graph neural network based model for detecting COVID-19 from CT scans and X-rays of chest
Authors: Saha Pritam , Mukherjee Debadyuti , Singh Pawan Kumar , Ahmadian Ali , Ferrara Massimiliano , Sarkar Ram
Published: November 2021

Editor's Note: this Article has been retracted; the Retraction Note is available at https://doi.org/10.1038/s41598-021-87523-1
Simulation of the impact of people mobility, vaccination rate, and virus variants on the evolution of Covid-19 outbreak in Italy
Authors: Spinella Corrado , Mio Antonio Massimiliano
Published: December 2021

We have further extended our compartmental model describing the spread of the infection in Italy. As in our previous work, the model assumes that the time evolution of the observable quantities (number of people still positive to the infection, hospitalized and fatalities cases, healed people, and total number of people that has contracted the infection) depends on average parameters, namely people diffusion coefficient, infection cross-section, and population density. The model provides information on the tight relationship between the variation of the reported infection cases and a well-defined observable physical quantity: the average number of people that lie within the daily displacement area of any single person. With respect to our previous paper, we have extended the analyses to several regions in Italy, characterized by different levels of restrictions and we have correlated them to the diffusion coefficient. Furthermore, the model now includes self-consistent evaluation of the reproduction index, effect of immunization due to vaccination, and potential impact of virus variants on the dynamical evolution of the outbreak. The model fits the epidemic data in Italy, and allows us to strictly relate the time evolution of the number of hospitalized cases and fatalities to the change of people mobility, vaccination rate, and appearance of an initial concentration of people positives for new variants of the virus.
Detection of Neisseria meningitidis in saliva and oropharyngeal samples from college students
Authors: Miellet Willem R. , Mariman Rob , Pluister Gerlinde , de Jong Lieke J. , Grift Ivo , Wijkstra Stijn , van Logchem Elske M. , van Veldhuizen Janieke , Immink Marie-Monique , Wijmenga-Monsuur Alienke J. , Rots Nynke Y. , Sanders Elisabeth A. M. , Bosch Thijs , Trzciński Krzysztof
Published: November 2021

Carriage ofNeisseria meningitidisis an accepted endpoint in monitoring meningococcal vaccines effects. We have assessedN. meningitidisand vaccine-type genogroup carriage prevalence in college students at the time of MenACWY vaccine introduction in the Netherlands, and evaluated the feasibility of saliva sampling for the surveillance of carriage. For this, paired saliva and oropharyngeal samples collected from 299 students were cultured for meningococcus. The DNA extracted from all bacterial growth was subjected to qPCRs quantifying meningococcal and genogroup-specific genes presence. Samples negative by culture yet positive for qPCR were cultured again for meningococcus. Altogether 74 (25%) of students were identified as meningococcal carrier by any method. Sixty-one students (20%) were identified as carriers with qPCR. The difference between number of qPCR-positive oropharyngeal (n = 59) and saliva (n = 52) samples was not significant (McNemar’s test,p = 0.07). Meningococci were cultured from 72 students (24%), with a significantly higher (p < 0.001) number of oropharyngeal (n = 70) compared with saliva (n = 54) samples. The prevalence of genogroups A, B, C, W, and Y was none, 9%, 1%, 1% and 6%, respectively, and 8% of students carried MenACWY vaccine-type genogroup meningococci. Saliva is easy to collect and when combined with qPCR detection can be considered for meningococcal carriage studies.
An improved 2-level MPPT scheme for photovoltaic systems using a novel high-frequency learning based adjustable gain-MRAC controller
Authors: Sahu Pankaj , Dey Rajiv
Published: November 2021

Under rapidly changing environmental conditions, the model reference adaptive control (MRAC) based MPPT schemes need high adaptation gain to achieve fast convergence and guaranteed transient performance. The high adaptation gain causes high-frequency oscillations in the control signals resulting in numerical instability and inefficient operation. This paper proposes a novel high-frequency learning-based adjustable gain MRAC (HFLAG-MRAC) for a 2-level MPPT control architecture in photovoltaic (PV) systems to ensure maximum power delivery to the load under rapidly changing environmental conditions. In the proposed 2-level MPPT control architecture, the first level is the conventional ripple correlation control (RCC) that yields a steady-state ripple-free optimum duty cycle. The duty cycle obtained from the first level serves as an input to the proposed HFLAG-MRAC in the second level. In the proposed adaptive law, the adaptation gain varies as a function of the high-frequency ripple content of the tracking error. These high-frequency contents are the difference between the tracking error and its low-pass filtered version representing the fluctuations in output due to rapid changes in the environmental conditions. Thus, adjusting the adaptation gain by high-frequency content of the tracking error ensures fast convergence, guaranteed transient performance, and overall system stability without needing high adaptation gain. The adaptive law of the proposed HFLAG-MRAC is derived using the Lyapunov theory. Simulation studies, experimental analysis, and performance comparison with recent similar work validate the effectiveness of the proposed work.
Hidden biodiversity in microarthropods (Acari, Oribatida, Eremaeoidea, Caleremaeus)
Authors: Lienhard Andrea , Krisper Günther
Published: November 2021

A challenge for taxonomists all over the world and across all taxonomic groups is recognizing and delimiting species, and cryptic species are even more challenging. However, an accurate identification is fundamental for all biological studies from ecology to conversation biology. We used a multidisciplinary approach including genetics as well as morphological and ecological data to assess if an easily recognizable, widely distributed and euryoecious mite taxon represents one and the same species. According to phylogenetic (based on mitochondrial and nuclear genes) and species delimitation analyses, five distinct putative species were detected and supported by high genetic distances. These genetic lineages correlate well with ecological data, and each species could be associated to its own (micro)habitat. Subsequently, slight morphological differences were found and provide additional evidence that five different species occur in Central and Southern Europe. The minuteness and the characteristic habitus ofCaleremaeus monilipestempted to neglect potential higher species diversity. This problem might concern several other “well-known” euryoecious microarthropods. Five new species of the genusCaleremaeusare described, namelyCaleremaeus mentobellussp. nov.,C. lignophilussp. nov.,C. alpinussp. nov.,C. elevatussp. nov., andC. hispanicussp. nov. Additionally, a morphological evaluation ofC. monilipesis presented.
Tidal variability of water quality parameters in a mesotidal estuary (Sado Estuary, Portugal)
Authors: Nascimento Ângela , Biguino Beatriz , Borges Carlos , Cereja Rui , Cruz Joana P. C. , Sousa Fátima , Dias Joaquim , Brotas Vanda , Palma Carla , Brito Ana C.
Published: November 2021

To establish effective water quality monitoring strategies in estuaries, it is imperative to identify and understand the main drivers for the variation of water quality parameters. The tidal effect is an important factor of the daily and fortnightly variability in several estuaries. However, the extent of that influence on the different physicochemical and biological parameters is still overlooked in some estuarine systems, such as the Sado Estuary, a mesotidal estuary located on the west coast of Portugal. The main objective of this study was to determine how the water quality parameters of the Sado Estuary varied with the fortnightly and the semidiurnal tidal variation. To achieve this goal, sampling campaigns were conducted in May/18, Nov/18 and Jun/19, under neap and spring tidal conditions, with data collection over the tidal cycle. Results were observed to be significantly influenced by the tidal variation, in a large area of the estuary. Flood seemed to mitigate possible effects of nutrient enrichment in the water column. Additionally, significant differences were also observed when considering the different sampling stations. Temperature, Suspended Particulate Matter (SPM) and nutrients showed the highest values at low water. Lastly, the implications of the tidal variability in the evaluation of the water quality according to Water Framework Directive were also discussed, highlighting the importance of studying short-time scale variations and the worst-case scenario to ensure water quality is maintained. These findings are relevant for the implementation of regional management plans and to promote sustainable development.
Combined transcriptome and metabolome integrated analysis of Acer mandshuricum to reveal candidate genes involved in anthocyanin accumulation
Authors: Zhang Shikai , Zhan Wang , Sun Anran , Xie Ying , Han Zhiming , Qu Xibin , Wang Jiayi , Zhang Laifu , Tian Mingshun , Pang Xuhong , Zhang Jinbao , Zhao Xiyang
Published: November 2021

The red color formation of Acer mandshuricum leaves is caused by the accumulation of anthocyanins primarily, but the molecular mechanism researches which underlie anthocyanin biosynthesis in A. mandshuricum were still lacking. Therefore, we combined the transcriptome and metabolome and analyzed the regulatory mechanism and accumulation pattern of anthocyanins in three different leaf color states. In our results, 26 anthocyanins were identified. Notably, the metabolite cyanidin 3-O-glucoside was found that significantly correlated with the color formation, was the predominant metabolite in anthocyanin biosynthesis of A. mandshuricum. By the way, two key structural genes ANS (Cluster-20561.86285) and BZ1 (Cluster-20561.99238) in anthocyanidin biosynthesis pathway were significantly up-regulated in RL, suggesting that they might enhance accumulation of cyanidin 3-O-glucoside which is their downstream metabolite, and contributed the red formation of A. mandshuricum leaves. Additionally, most TFs (e.g., MYBs, bZIPs and bHLHs) were detected differentially expressed in three leaf color stages that could participate in anthocyanin accumulation. This study sheds light on the anthocyanin molecular regulation of anthocyanidin biosynthesis and accumulation underlying the different leaf color change periods in A. mandshuricum, and it could provide basic theory and new insight for the leaf color related genetic improvement of A. mandshuricum.
Characterization of a G-quadruplex from hepatitis B virus and its stabilization by binding TMPyP4, BRACO19 and PhenDC3
Authors: Molnár Orsolya Réka , Végh András , Somkuti Judit , Smeller László
Published: December 2021

Specific guanine rich nucleic acid sequences can form non-canonical structures, like the four stranded G-quadruplex (GQ). We studied the GQ-forming sequence (named HepB) found in the genome of the hepatitis B virus. Fluorescence-, infrared- and CD-spectroscopy were used. HepB shows a hybrid form in presence of K+, but Na+, Li+, and Rb+ induce parallel structure. Higher concentrations of metal ions increase the unfolding temperature, which was explained by a short thermodynamic calculation. Temperature stability of the GQ structure was determined for all these ions. Na+ has stronger stabilizing effect on HepB than K+, which is highly unusual. The transition temperatures were 56.6, 53.8, 58.5 and 54.4 °C for Na+, K+, Li+, and Rb+ respectively. Binding constants for Na+ and K+ were 10.2 mM and 7.1 mM respectively. Study of three ligands designed in cancer research for GQ targeting (TMPyP4, BRACO19 and PhenDC3) showed unequivocally their binding to HepB. Binding was proven by the increased stability of the bound form. The stabilization was higher than 20 °C for TMPyP4 and PhenDC3, while it was considerably lower for BRACO19. These results might have medical importance in the fight against the hepatitis B virus.
Experimental investigation and modelling of a laboratory-scale latent heat storage with cylindrical PCM capsules
Authors: Jančík Petr , Schmirler Michal , Hyhlík Tomáš , Bláha Adam , Sláma Pavel , Devera Jakub , Kouba Jan
Published: December 2021

Heat storage efficiency is required to maximize the potential of combined heat and power generation or renewable energy sources for heating. Using a phase change material (PCM) could be an attractive choice in several instances. Commercially available paraffin-based PCM was investigated using T-history method with sufficient agreement with the data from the manufacturer. The introduced LHTES with cylindrical capsules is simple and scalable in capacity, charging/discharging time, and temperature level. The overall stored energy density is 9% higher than the previously proposed design of similar design complexity. The discharging process of the designed latent heat thermal energy storage (LHTES) was evaluated for two different flow rates. The PCM inside the capsules and heat transfer fluid (HTF) temperature, as well as the HTF flow rate, were measured. The lumped parameter numerical model was developed and validated successfully. The advantage of the proposed model is its computational simplicity, and thus the possibility to use it in simulations of a whole heat distribution network. The so-called state of charge (SoC), which plays a crucial role in successful heat storage management, is a part of the evaluation of both experimental and computational data.
Impact of a nonnative parasitoid species on intraspecific interference and offspring sex ratio
Authors: Zhang Yao Zhuo , Jin Zhengya , Miksanek James Rudolph , Tuda Midori
Published: December 2021

In an assemblage of multiple predators sharing a single prey species, the combined effects of the component species may scale unpredictably because of emergent interspecific interactions. Prior studies suggest that chaotic but persistent community dynamics are induced by intra-/interspecific interactions between native and nonnative parasitoids competing over a shared host. Here, we test the impact of the nonnative parasitoid Heterospilus prosopidis (Hymenoptera: Braconidae) on the intraspecific interference and offspring sex ratio of the native parasitoid Anisopteromalus calandrae (Hymenoptera: Pteromalidae). We found that the nonnative parasitoid reduced intraspecific interference among native parasitoids and decreased the proportion of female offspring produced by the native parasitoid (predicted under conditions of reduced host availability). At higher host densities, the nonnative parasitoid contributed less to the total proportion of hosts parasitized, as its innate saturating Type II response changed to a dome-shaped Type IV response with increasing density of the native parasitoid, while the native parasitoid retained its increasing Type I response. This inverse host-density-dependent response between the two parasitoids and associated competitive superiority can explain the observed changes in parasitism; at high host densities, the searching efficiency of the native parasitoid increases via host feeding while the nonnative parasitoid experiences egg limitation. These results highlight the importance of the complementary top-down effects of multiple consumers on a single resource.
Accuracy of single intravenous access iohexol GFR in children is hampered by marker contamination
Authors: Eide Thea Tislevoll , Hufthammer Karl Ove , Brun Atle , Brackman Damien , Svarstad Einar , Tøndel Camilla
Published: December 2021

Measurement of glomerular filtration rate (GFR) in children by iohexol injection and blood sampling from the contralateral arm is widely used. A single intravenous access for iohexol injection and subsequent blood sampling has the obvious advantages of being less painful and easier to perform. The purpose of our study was to determine if blood samples drawn from the injection access are feasible and accurate for iohexol GFR (iGFR) measurements. Thirty-one children, median age 10.5 (range 6–17) years, with chronic kidney disease were given a bolus of iohexol followed by extended saline flushing and subsequent venous blood samples collected from the injection access as well as from a cannula in the contralateral arm, the latter serving as the reference method. Paired venous blood samples were collected at four time points (2, 3, 3.5 and 4 h) after the iohexol bolus. Blood sample discarding preceded and saline flushing followed each blood sampling to avoid marker contamination. iGFR based on samples drawn from the injection access at 2 and 3 h showed significantly lower iGFR than measurement from the contralateral arm (p < 0.01). Singlepoint iGFR did not differ significantly after 3–4 repeated procedures of blood discarding and saline flusing (3.5 and 4 h). Despite thorough saline flushing there is still a relatively high risk of falsely low iGFR due to marker contamination in blood samples from the injection site. Hence, blood sampling from a second intravenous access is recommended for routine iohexol GFR measurements in children.

Clinical trial registration: ClinicalTrials.gov, Identifier NCT01092260, https://clinicaltrials.gov/ct2/show/NCT01092260?term=tondel&rank=2.
Optimization of phospholipid chemistry for improved lipid nanoparticle (LNP) delivery of messenger RNA (mRNA)
Authors: Álvarez-Benedicto Ester , Farbiak Lukas , Márquez Ramírez Martha , Wang Xu , Johnson Lindsay T. , Mian Osamah , Guerrero Erick D. , Siegwart Daniel J.
Published: November 2021

Alteration of phospholipid chemistry in lipid nanoparticles (LNPs) can increase endosomal escape and control organ targeting.
Chemoenzymatic one-pot reaction from carboxylic acid to nitrile via oxime
Authors: Horvat Melissa , Weilch Victoria , Rädisch Robert , Hecko Sebastian , Schiefer Astrid , Rudroff Florian , Wilding Birgit , Klempier Norbert , Pátek Miroslav , Martínková Ludmila , Winkler Margit
Published: November 2021

We report a new chemoenzymatic cascade starting with aldehyde synthesis by carboxylic acid reductase (CAR) followed by chemical in situ oxime formation and enzymatic dehydration by aldoxime dehydratase (Oxd).
Defect-related luminescence behavior of a Mn4+ non-equivalently doped fluoroantimonate red phosphor
Authors: Deng Tingting , Zhang Shuai , Zhou Rongfu , Yu Ting , Wu Ming , Zhang Xueliang , Chen Konglan , Zhou Yayun
Published: November 2021

The structural defect impact on the photoluminescence properties of Mn4+-doped fluoride red phosphors is revealed by constructing a non-equivalent substitution strategy.
Heterobimetallic Pd/Mn and Pd/Co complexes as efficient and stereoselective catalysts for sequential Cu-free Sonogashira coupling–alkyne semi-hydrogenation reactions
Authors: Clauss Reike , Baweja Saral , Gelman Dmitri , Hey-Hawkins Evamarie
Published: November 2021

A series of heterobimetallic PdII/MIIcomplexes (MII= Mn, Co) were synthesised and tested as precatalysts for sequential Sonogashira coupling–alkyne semi-hydrogenation reactions to formZ-aryl alkenes in a one-pot fashion.
Constructing a brand-new advanced oxidation process system composed of MgO2 nanoparticles and MgNCN/MgO nanocomposites for organic pollutant degradation
Authors: Dong Ningning , Wu Doudou , Ge Lifa , Wang Wei , Tan Fatang , Wang Xinyun , Qiao Xueliang , Wong Po Keung
Published: November 2021

A novel advanced oxidation process (AOP) system with high adaptability and long-term oxidation ability was firstly constructed for organic pollutant degradation via a non-radical process.
Anisotropic oxidative growth of goethite-coated sand particles in column reactors during 4-chloronitrobenzene reduction by Fe(ii)/goethite
Authors: Soroush Adel , Penn R. Lee , Arnold William A.
Published: November 2021

Goethite nanoparticles attached to sand grains in column reactors increase grown in length when exposed to ferrous iron and 4-chloronitrobenzene.
The effect of lactoferrin in aging: role and potential
Authors: Li Bing , Zhang Bo , Liu Xudong , Zheng Yidan , Han Kuntong , Liu Henan , Wu Changjing , Li Jin , Fan Shuhua , Peng Weifeng , Zhang Fuli , Liu Xiaomeng
Published: November 2021

The review highlights that LF plays a potential role in aging and longevity of various organisms and modulates major signaling pathways that influence longevity.
Kinetically stable sub-50 nm fluorescent block copolymer nanoparticles via photomediated RAFT dispersion polymerization for cellular imaging
Authors: Tkachenko Vitalii , Kunemann Philippe , Malval Jean Pierre , Petithory Tatiana , Pieuchot Laurent , Vidal Loïc , Chemtob Abraham
Published: December 2021

Highly kinetically stable fluorescent block copolymer nanoparticles prepared by photomediated RAFT PISA are suitable nanoscale vehicles to investigate cellular interactions.
Nano-ZnS decorated hierarchically porous carbon electrocatalyst with multiple enzyme-like activities as a nanozyme sensing platform for simultaneous detection of dopamine, uric acid, guanine, and adenine
Authors: Zhang Kai , Zhuo Zhonghui , Fan Guorong , Wang Zongde , Chen Shangxing , Xu Lulu , Wen Yangping , Wang Peng
Published: November 2021

A nano-ZnS decorated hierarchically porous carbon electrocatalyst with multiple enzyme-like activities as a nanozyme sensing platform for simultaneous detection of four biological molecules was synthesized via an in situ hydrothermal reaction.
Conductive metal and covalent organic frameworks for electrocatalysis: design principles, recent progress and perspective
Authors: Wang Jinyan , Hu Hongyin , Lu Shuanglong , Hu Jundie , Zhu Han , Duan Fang , Du Mingliang
Published: November 2021

A minireview covering the design principles, recent progress and perspective of conductive MOF/COF based electrocatalysts is made.
An investigation of the effect of high-pressure on charge transfer in dye-sensitized solar cells based on surface-enhanced Raman spectroscopy
Authors: Zhu Lin , Li Peng , Sun Huanhuan , Han Xiaoxia , Xu Yitong , Wang Xiaolei , Liu Bingbing , Ozaki Yukihiro , Zhao Bing
Published: November 2021

High-pressure SERS was used to investigate the charge-transfer process of a TiO2@N719@Ag DSSC system.
From imines to amides via NHC-mediated oxidation
Authors: Sun Shaofa , Guo Donghui , Li Fangyi , Wang Jian
Published: November 2021

An efficient construction of amides through NHC-mediated oxidation of imines is described. This work has the advantages of wide scope, fast assembly and high yield, and can avoid the use of coupling agents, such as HATU, DCC, etc.
Mesoporous silica shell-coated single gold nanorods as multifunctional orientation probes in dynamic biological environments
Authors: Kim Geun Wan , Han In-Seob , Ha Ji Won
Published: December 2021

We presented polarization-dependent, periodic DIC images and intensities of single AuNRs@mSiO2 at their LSPR wavelength and investigated their use as multifunctional orientation probes in biological environments.
A theoretical study of allopurinol drug sensing by carbon and boron nitride nanostructures: DFT, QTAIM, RDG, NBO and PCM insights
Authors: Miah Md. Helal , Hossain Md. Rakib , Islam Md. Saiful , Ferdous Tahmina , Ahmed Farid
Published: November 2021

The adsorption–desorption behavior of the drug allopurinol on/from the outer surface of a boron nitride nanocage was studied.
Liquid crystal behavior, photoluminescence and gas sensing: A new series of ionic liquid crystal imidazole and benzoimidazole bearing chalcone groups, synthesis and characterization
Authors: Mohammad AbdulKarim-Talaq , Abbas Wahaj Raed
Published: November 2021

Four new series of chalcones containing imidazole bromonium and benzimidazole bromonium salts with spacer alkyl chains (Cn, n = 2 and 4) were synthesized and their chemical structure, thermal behavior, photoluminescence and gas sensing ability were characterized.
Multifunctional sensors based on liquid crystals scaffolded in nematic polymer networks
Authors: Zhan Xiyun , Luo Dan , Yang Kun-Lin
Published: December 2021

Naked-eye color change as a result of temperature change or VOC exposure was demonstrated in a nematic polymer network-stabilized liquid crystal (PNLC) system.
Concise synthesis of α-cyano tetrahydroisoquinolines with a quaternary center via Strecker reaction
Authors: Ji Yue , Zhang Xue , Han Weiwei , Wang Sichang , Wu Ya , Zhang Keliang , Yang Penghui , Xiao Pei , Wei Yitao
Published: December 2021

Concise synthesis of α-cyano tetrahydroisoquinolines with a quaternary center was successfully realized, furnishing products with up to 99% yield and an isomerization was observed under alkaline conditions, giving the isomer via [1,3]-H shift.
Linking metal–organic cages pairwise as a design approach for assembling multivariate crystalline materials
Authors: Markwell-Heys Adrian W. , Roemelt Michael , Slattery Ashley D. , Linder-Patton Oliver M. , Bloch Witold M.
Published: November 2021

A new strategy to design atomically precise multivariate metal–organic frameworks is presented. This is achieved by linking two preformed metal–organic cages via a precisely tuned Rh–aniline interaction.
Rigidity and fracture of biopolymer double networks
Authors: Lwin Pancy , Sindermann Andrew , Sutter Leo , Wyse Jackson Thomas , Bonassar Lawrence , Cohen Itai , Das Moumita
Published: November 2021

Tunable mechanics and fracture resistance are hallmarks of biological tissues whose properties arise from extracellular matrices comprised of double networks.
Three-dimensional protein microarrays fabricated on reactive microsphere modified COC substrates
Authors: Yan Jian , Zhao Changwen , Ma Yuhong , Yang Wantai
Published: December 2021

A monolayer of monodisperse poly(styrene-alt-maleic anhydride) copolymer microspheres was covalently attached on a modified cyclic olefin copolymer (COC) film for the fabrication of a polymer-based 3D protein chip.
Evaluating the impact of systematic hydrophobic modification of model drugs on the control, stability and loading of lipid-based nanoparticles
Authors: Hogarth Cameron , Arnold Keith , McLauchlin Andrew , Rannard Steve P. , Siccardi Marco , McDonald Tom O.
Published: November 2021

An investigation of how the LogP value of an active controls the formation of lipid-based nanoparticles. Hydrophobically-modified drug analogues were formulated to give nanoparticles with much higher drug loadings than conventional lipid nanocarriers.
The structural origin of the 15 μm residual absorption in the BaGa4Se7 crystal
Authors: Jiang Shengjie , Wan Songming , Luo Wen , Li Bin , Yao Jiyong
Published: November 2021

The 15 μm residual absorption of the BaGa4Se7 crystal is related to the OSe defect and originates from the deforming vibration of Ga–O–Ga bonds.
High-performance fluorescent organic electroluminescent devices benefit from sensitization of thermally activated delayed fluorescence
Authors: Cui Rongzhen , Zhou Liang , Sun Weisong , Liu Wenxing , Wang Jiahai
Published: December 2021

Efficient fluorescent electroluminescent devices were achieved by exploiting a thermally activated fluorescent material (3,5-bis(3,6-di-tert-butyl-9H-carbazol-9-yl)phenyl)(pyridin-4-yl)methanone (DTCBPy) as a sensitizer.
Targeted proteolytic products of τ and α-synuclein in neurodegeneration
Authors: Xia Yuxing , Lloyd Grace M. , Giasson Benoit I.
Published: November 2021

CNS pathological inclusions comprising τ or α-synuclein (αSyn) define a spectrum of neurodegenerative diseases, and these can often present concurrently in the same individuals. The aggregation of both proteins is clearly associated with neurodegeneration and the deleterious properties of each protein is further supported by mutations in each gene (MAPT and SNCA, respectively) resulting in disease. The initiating events in most sporadic neurodegenerative diseases are still unclear but growing evidence suggests that the aberrant proteolytic cleavage of τ and αSyn results in products that can be toxic and/or initiate aggregation that can further spread by a prion-like mechanism. The accumulation of some of these cleavage products can further potentiate the progression of protein aggregation transmission and lead to their accumulation in peripheral biofluids such as cerebrospinal fluid (CSF) and blood. The future development of new tools to detect specific τ and αSyn abnormal cleavage products in peripheral biofluids could be useful biomarkers and better understand of the role of unique proteolytic activities could yield therapeutic interventions.
The Close AGN Reference Survey (CARS)
Authors: Singha M. , Husemann B. , Urrutia T. , O’Dea C. P. , Scharwächter J. , Gaspari M. , Combes F. , Nevin R. , Terrazas B. A. , Pérez-Torres M. , Rose T. , Davis T. A. , Tremblay G. R. , Neumann J. , Smirnova-Pinchukova I. , Baum S. A.
Published: November 2021

Context.The strong asymmetry in the optical [O III]λ5007 emission line is one of the best signatures of active galactic nuclei (AGN) driven warm (∼104K) ionized gas outflows on host galaxy scales. While large spectroscopic surveys such as the sloan digital sky survey (SDSS) have characterized the kinematics of [O III] for large samples of AGN, estimating the associated energetics requires spatially resolving these outflows with, for example, integral field unit (IFU) studies.

Aims.As part of the Close AGN Reference Survey, we obtained spatially resolved IFU spectroscopy for a representative sample of 39 luminous type 1 AGN at 0.01 < z < 0.06 with the multi unit spectroscopic explorer and the visible multi object spectrograph IFUs at the very large telescope to infer the spatial location of the ionized gas outflows.

Methods.We compared the 2D light distributions of the [O III] wing to that of the Hβbroad emission line region, a classical point source (PSF). We then used the PSF to distinguish between the unresolved and resolved [O III] wing emission. We further determined its location using spectro-astrometry for the point-like sources.

Results.The [O III] wing is spatially unresolved in 23 out of the 36 AGN with > 80% of the flux associated with a point-like source. We measured < 100 pc offsets in the spatial location of the outflow from the AGN nucleus using the spectro-astrometry technique for these sources. For the other 13 AGN, the [O III] wing emission is resolved and possibly extended on several kiloparsec scales.

Conclusions.We conclude that [O III] wing emission can be compact or extended in an unbiased luminous AGN sample, where both cases are likely to appear. Electron density in the compact [O III] wing regions (medianne ∼ 1900 cm−3) is nearly a magnitude higher than in the extended ones (medianne ∼ 500 cm−3). The presence of spatially extended and compact [O III] wing emission is unrelated to the AGN bolometric luminosity and to inclination effects, which means other features such as time delays, or mechanical feedback (radio jets) may shape the ionized gas outflow properties.
NOEMA confirmation of an optically dark ALMA–AzTEC submillimetre galaxy at z = 5.24
Authors: Ikarashi S. , Ivison R. J. , Cowley W. I. , Kohno K.
Published: November 2021

We have obtained deep 1 and 3 mm spectral-line scans towards a candidate z ≳ 5 ALMA-identified AzTEC submillimetre galaxy (SMG) in the Subaru/XMM-Newton Deep Field (or UKIDSS UDS), ASXDF1100.053.1, using the NOrthern Extended Millimeter Array (NOEMA), aiming to obtain its spectroscopic redshift. ASXDF1100.053.1 is an unlensed optically dark millimetre-bright SMG with S1100 μm = 3.5 mJy and KAB > 25.7 (2σ), which was expected to lie at z = 5–7 based on its radio–submillimetre photometric redshift. Our NOEMA spectral scan detected line emission due to 12CO(J = 5–4) and (J = 6–5), providing a robust spectroscopic redshift, zCO = 5.2383 ± 0.0005. Energy-coupled spectral energy distribution modelling from optical to radio wavelengths indicates an infrared luminosity LIR = 8.3−1.4+1.5 × 1012 L⊙, a star formation rate SFR  = 630−380+260 M⊙ yr−1, a dust mass Md = 4.4−0.3+0.4 × 108 M⊙, a stellar mass Mstellar = 3.5−1.4+3.6 × 1011 M⊙, and a dust temperature Td = 37.4−1.8+2.3 K. The CO luminosity allows us to estimate a gas mass Mgas = 3.1 ± 0.3 × 1010 M⊙, suggesting a gas-to-dust mass ratio of around 70, fairly typical for z ∼ 2 SMGs. ASXDF1100.053.1 has ALMA continuum size Re = 1.0−0.1+0.2 kpc, so its surface infrared luminosity density ΣIR is 1.2−0.2+0.1 × 1012 L⊙ kpc−2. These physical properties indicate that ASXDF1100.053.1 is a massive dusty star-forming galaxy with an unusually compact starburst. It lies close to the star-forming main sequence at z ∼ 5, with low Mgas/Mstellar = 0.09, SFR/SFRMS(RSB) = 0.6, and a gas-depletion time τdep of ≈50 Myr, modulo assumptions about the stellar initial mass function in such objects. ASXDF1100.053.1 has extreme values of Mgas/Mstellar, RSB, and τdep compared to SMGs at z ∼ 2–4, and those of ASXDF1100.053.1 are the smallest among SMGs at z > 5. ASXDF1100.053.1 is likely a late-stage dusty starburst prior to passivisation. The number of z = 5.1–5.3 unlensed SMGs now suggests a number density dN/dz = 30.4 ± 19.0 deg−2, barely consistent with the latest cosmological simulations.
The atmospheres of rocky exoplanets
Authors: Herbort O. , Woitke P. , Helling Ch. , Zerkle A. L.
Published: November 2021

Clouds are an integral part of planetary atmospheres, with most planets hosting clouds. Understanding not only the formation, but also the composition of clouds, is crucial to understand future observations. As observations of the planet’s surface will remain very difficult, it is essential to link the observable high atmosphere gas and cloud composition to the surface conditions. We present a fast and simple chemical equilibrium model for the troposphere of rocky exoplanets, which is in chemical and phase equilibrium with the crust. The hydrostatic equilibrium atmosphere is built from bottom to top. In each atmospheric layer, chemical equilibrium is solved and all thermally stable condensates are removed, depleting the atmosphere above in the effected elements. These removed condensates build an upper limit for cloud formation and can be separated into high and low temperature condensates. The most important cloud condensates for 1000 K ≳Tgas≳ 400 K are KCl[s], NaCl[s], FeS[s], FeS2[s], FeO[s], Fe2O3[s], and Fe3O4[s]. ForTgas≲ 400 K H2O[l,s], C[s], NH3[s], NH4Cl[s], and NH4SH[s] are thermally stable, while for even lower temperatures ofTgas≲ 150 K CO2[s], CH4[s], NH3[s], and H2S[s] become stable. The inclusion of clouds with trace abundances results in the thermal stability of a total of 72 condensates for atmospheres with different surface conditions (300 K ≤Tsurf≤ 1000 K andpsurf= 1 bar, 100 bar). The different cloud condensates are not independent of each other, but follow sequences of condensation, which are robust against changes in crust composition, surface pressure, and surface temperature. Independent of the existence of water as a crust condensate, H2O[l,s] is a thermally stable cloud condensate for all investigated elemental abundances. However, the water cloud base depends on the hydration level of the crust. Therefore, the detection of water condensates alone does not necessarily imply stable water on the surface, even if the temperature could allow for water condensation.
Survey of Surveys
Authors: Tsantaki M. , Pancino E. , Marrese P. , Marinoni S. , Rainer M. , Sanna N. , Turchi A. , Randich S. , Gallart C. , Battaglia G. , Masseron T.
Published: November 2021

Context.In the present-day panorama of large spectroscopic surveys, the amount, diversity, and complexity of the available data continuously increase. The overarching goal of studying the formation and evolution of our Galaxy is hampered by the heterogeneity of instruments, selection functions, analysis methods, and measured quantities.

Aims.We present a comprehensive catalogue, the Survey of Surveys (SoS), built by homogeneously merging the radial velocity (RV) determinations of the largest ground-based spectroscopic surveys to date, such as APOGEE, GALAH,Gaia-ESO, RAVE, and LAMOST, usingGaiaas a reference. This pilot study serves to prove the concept and to test the methodology that we plan to apply in the future to the stellar parameters and abundance ratios as well.

Methods.We have devised a multi-staged procedure that includes: (i) the cross match betweenGaiaand the spectroscopic surveys using the officialGaiacross-match algorithm, (ii) the normalisation of uncertainties using repeated measurements or the three-cornered hat method, (iii) the cross calibration of the RVs as a function of the main parameters on which depend (magnitude, effective temperature, surface gravity, metallicity, and signal-to-noise ratio) to remove trends and zero point offsets, and (iv) the comparison with external high-resolution samples, such as theGaiaRV standards and the Geneva-Copenhagen survey, to validate the homogenisation procedure and to calibrate the RV zero-point of the SoS catalogue.

Results.We provide the largest homogenised RV catalogue to date, containing almost 11 million stars, of which about half come exclusively fromGaiaand half in combination with the ground-based surveys. We estimate the accuracy of the RV zero-point to be about 0.16−0.31 km s−1and the RV precision to be in the range 0.05−1.50 km s−1depending on the type of star and on its survey provenance. We validate the SoS RVs with open clusters from a high resolution homogeneous samples and provide the systemic velocity of 55 individual open clusters. Additionally, we provide median RVs for 532 clusters recently discovered byGaiadata.

Conclusions.The SoS is publicly available and ready to be applied to various research projects, such as the study of star clusters, Galactic archaeology, stellar streams, or the characterisation of planet-hosting stars, to name a few. We also plan to include survey updates and more data sources in future versions of the SoS.
The periodic origin of fast radio bursts
Authors: Wei Yu-Jia , Zhao Zhen-Yin , Wang Fa-Yin
Published: November 2021

Fast radio bursts (FRBs) are pulsed radio signals with a duration of milliseconds and a large dispersion measure. Recent observations indicate that FRB 180916 and FRB 121102 show periodic activities. Some theoretical models have been proposed to explain periodic FRBs, and here we test these using corresponding X-ray and γ-ray observations. We find that the orbital periodic model, the free precession model, the radiation-driven precession model, the fall-back disk precession model where eccentricity is due to the internal magnetic field, and the rotation periodic model are not consistent with observations. The geodetic precession model is the most likely periodic model for FRB 180916. We also propose methods to test the periodic models with yet-to-be-obtained observational data in the future.