bluuebunny/crossref_metadata_2025 huggingface dataset:
‘Flashforward’ mental imagery in adolescents: exploring developmental differences and associations with mental health
Authors: Lau-Zhu A. , Stacey J. , Gibson D. , Chan C. , Cooper M.
Published: September 2024

Background:

Future events can spring to mind unbidden in the form of involuntary mental images also known as ‘flashforwards’, which are deemed important for understanding and treating emotional distress. However, there has been little exploration of this form of imagery in youth, and even less so in those with high psychopathology vulnerabilities (e.g. due to developmental differences associated with neurodiversity or maltreatment).

Aims:

We aimed to test whether flashforwards are heightened (e.g. more frequent and emotional) in autistic and maltreatment-exposed adolescents relative to typically developing adolescents. We also explored their associations with anxiety/depression symptoms.

Method:

A survey including measures of flashforward imagery and mental health was completed by a group of adolescents (n=87) aged 10–16 (and one of their caregivers) who met one of the following criteria: (i) had a diagnosis of autism spectrum disorder; (ii) a history of maltreatment; or (ii) no autism/maltreatment.

Results:

Flashforwards (i) were often of positive events and related to career, education and/or learning; with phenomenological properties (e.g. frequency and emotionality) that were (ii) not significantly different between groups; but nevertheless (iii) associated with symptoms of anxiety across groups (particularly for imagery emotionality), even after accounting for general trait (non-future) imagery vividness.

Conclusions:

As a modifiable cognitive risk factor, flashforward imagery warrants further consideration for understanding and improving mental health in young people. This implication may extend to range of developmental backgrounds, including autism and maltreatment.
Supplemental Nutrition Assistance Program issuance timing is associated with sugar-sweetened beverage marketing in the USA
Authors: Dai Jane , Kenney Erica L , Soto Mark J , Zhong Anthony , Moran Alyssa J , Broad Leib Emily M , Bleich Sara N
Published: September 2024

Objective:

Prior research has shown that there are more supermarket displays of sugar-sweetened beverages (SSB) during times when Supplemental Nutrition Assistance Program (SNAP) benefits are distributed (‘issuance periods’). This may contribute to inequitable purchasing and consumption. This study examines whether SSB marketing in weekly supermarket circulars, which retailers use to advertise products, is more prevalent during issuance periods compared to non-issuance periods.

Design:

We conducted longitudinal, difference-in-differences analyses of data extracted from weekly supermarket circulars of randomly selected SNAP-authorised retailers in six states. Analyses tested whether SSB advertisements (‘ads’) were more prevalent during SNAP issuance periods compared to non-issuance periods within states with distinct issuance periods (3, 5, 10 or 15 d), compared to one state with continuous benefit issuance (28 d; the ‘control’ state).

Setting:

Weekly online supermarket circulars collected from August to September 2019 were analysed in 2021.

Participants:

The study sample included 5152 circulars from 563 SNAP-authorised retailers in the states California, Connecticut, Nebraska, New Jersey and Texas (distinct issuance period states) as well as Florida (‘control’ state).

Results:

The estimated mean percentage of beverage ads classified as SSB ads during issuance days was 51·5 % compared to 48·4 % during non-issuance days (P < 0·001). In difference-in-differences analyses comparing to the ‘control’ state with continuous issuance, SSB ad counts were 2·9 % higher (95 % CI 1·9 %, 3·9 %) during SNAP issuance relative to non-issuance.

Conclusions:

SSB ads are slightly more prevalent in weekly supermarket circulars during SNAP issuance periods. Future research should explore the linkages between circular ads and SSB purchasing and consumption.
Fluidity and ‘Animalism’ in Preparing Purcell
Authors: Suckling Christopher
Published: September 2024

In the Clark Library at the University of California Los Angeles, there is a 1691 copy of the printed playbook for Dryden's An Evening's Love: or, The Mock-Astrologer (London: Henry Herringman), which was used as a promptbook in revivals of the play at Drury Lane between 1705 and 1717 (Edward A. Langhans, Eighteenth[-]Century British and Irish Promptbooks: A Descriptive Bibliography (Westport, CT: Greenwood, 1987), 44–45). Amongst other alterations in it, songs are excised and musical flourishes are added (a digitized version is available at https://archive.org/details/dryden_mock_astr_clarklib; see, for example, page 20). It is a comforting object that – when reassessing the recordings made in 2019 by Paul McCreesh and the Gabrieli Consort of Purcell's dramatick operas King Arthur (Winged Lion SIGCD 589, 2019) and The Fairy Queen (Winged Lion SIGCD 615, 2020), for which I performed as a bass violinist and prepared the editions – reassures me that our processes were well grounded.
Genotypic and environmental influences on colour and curcuminoids of turmeric (Curcuma longa L.) genotypes across contrasting production environments
Authors: Raghuveer Silaru , Prasath Duraisamy , Yuvaraj Madduri Kotha , Aarthi Sounderarajan
Published: September 2024

Turmeric (Curcuma longa L.) is rich in curcuminoids, which are polyphenolic pigments make it one of the most valuable spice and medicinal plant. The rising need for natural colours and the numerous health advantages of curcuminoids are driving up the demand of turmeric. In this study, the effects of genotype and genotype × environment on the colour characteristics of 21 turmeric genotypes were examined in three different production environments namely vertical farming, greenhouse, and field conditions. The pooled analysis of variance revealed highly significant (P < 0.05) differences among genotypes (G), environments (E), and G × E interaction for three colour parameters [L* (lightness index), A* (redness index), B* (yellowness index)]. Among the genotypes, the values ranged from 41.80 to 54.76, 13.92 to 24.83 and 31.72 to 47.67 for L*, A*, B*, respectively. Erode Local (22.34), IISR Pragati (24.56) and IISR Prathiba (26.55) recorded maximum A* value under vertical farming, greenhouse, and field conditions, respectively. Correlation analysis between colour values and curcuminoids revealed a significant positive correlation (r = 0.608–0.735, P < 0.001) between A* value and curcuminoids. Furthermore, stability analysis for A* value revealed 78.87% genotype × environment interaction (GEI) from the first two principal components of GGE biplot. IISR Pragati and Waigon Turmeric are best was most stable for A* value across environments. Our study revealed that colour traits among genotypes vary widely and are strongly impacted by genetic and environmental factors. These findings are crucial for future breeding programs to enhance turmeric's colour, ensuring high-quality, stable products for producers and consumers.
Agro-morphological evaluation of gamma ray-induced mutant populations and isolation of harder grain mutants in wheat (Triticum aestivum L.)
Authors: Rana Amit , Rana Vijay , Bakshi Suman , Sood Vinod Kumar
Published: September 2024

Gamma ray-induced mutations have been widely used to improve existing crop germplasm and create novel genetic variation. In the current study, a multi-year experiment was carried out to induce and isolate mutants with desirable agro-morphological traits and improved grain hardness through evaluation of induced mutant populations generated in soft-textured wheat variety HPW 89 irradiated with gamma ray dose of 250, 300 and 350 Gy. Mutagen sensitivity studies revealed a higher frequency of biological damage and seedling mortality for doses beyond 300 Gy in the M1 generation. However, the mutagenic treatments in the M2–3 populations significantly altered the magnitude of the biometrical traits. Results from the variability and association studies among traits showed that biological yield per plant, 1000-grain weight, spike length, grains per spike and plant height may be prioritized for higher genetic gain and could be used as selection criteria parameters. Multivariate analysis indicated induction of heterogeneity among mutant populations. Overall, 250–300 Gy doses were found ideal for a successful wheat mutation programme and 293 agro-morphologically superior wheat mutants were identified, out of which 108 had semi-hard grain texture based on single kernel characterization system. Among these, nine mutants were found to have the highest grain hardness index due to induced changes in one or both puroindoline genes. Hence, these mutants identified for several traits along with harder grain texture will serve as important genetic resource in future wheat-breeding programmes.
Ratgeber Narzissmus
Authors: Lammers Claas-Hinrich
Published: September 2024

„Dieser Mensch ist ein Narzisst!“ – in diesem vielfach gehörten Vorwurf kommt die Überzeugung zum Ausdruck, dass viele zwischenmenschliche Probleme auf narzisstische Eigenschaften und Verhaltensweisen zurückzuführen sind. Ein ausgeprägter Narzissmus kann in der Tat viel Unglück und Unheil anrichten und geht sowohl für die Umwelt als auch für die Betroffenen selbst mit einer erheblichen seelischen Belastung einher. Diese krankhafte Form des Narzissmus muss von der gesunden Variante des Narzissmus abgegrenzt werden. Hier geht es um Verhaltensweisen, die das Ziel verfolgen, das eigene Selbstwertgefühl zu steigern. Wir alle wollen von anderen Menschen respektiert, geschätzt und manchmal vielleicht auch ein klein wenig bewundert werden. Wir wollen erleben, dass wir nicht nur in Ordnung sind, sondern auf unsere Art und Weise auch besonders, interessant, liebenswert und vieles mehr sind, ohne dass wir uns deshalb gleich für etwas Besseres halten würden.
Der Ratgeber informiert über gesunde und problematische Varianten des Narzissmus und geht auf Probleme ein, die narzisstische Menschen in verschiedenen Lebensbereichen haben können. Es wird aufgezeigt, welche Ziele mit einer Psychotherapie verfolgt werden können und welche Selbsthilfestrategien Betroffene anwenden können. Menschen mit narzisstischen Eigenschaften soll es ermöglicht werden, ihre Fähigkeiten zur Beziehungsgestaltung zu verbessern, um so private und berufliche Beziehungen stabiler gestalten zu können. Schließlich erhalten Angehörige und andere Bezugspersonen aus dem privaten und beruflichen Umfeld hilfreiche Strategien an die Hand, wie sie mit narzisstischen Menschen besser umgehen können.
Large, Negative Atmospheric Carbon Monoxide Clumped Isotope Values Result From Kinetic Isotope Fractionation, Tracing OH• Reactivity
Authors: Henkes Gregory A. , Place Philip F. , Mak John E.
Published: September 2024

Because of its global abundance and reactivity with hydroxyl radicals (OH•), tropospheric carbon monoxide indirectly impacts the lifetimes of other OH•‐reactive gases, in particular methane and reactive hydrocarbons. The origin and chemistry of atmospheric CO have been studied using stable isotopes. Both 13CO and C18O undergo isotopic fractionation during its main chemical loss reaction, CO + OH•. The kinetic isotope effect (KIE) for 13CO is mass dependent, with a value of ∼5‰; 12CO reacts faster than 13CO with OH. Whereas C18O + OH• exhibits an inversely mass dependent KIE ∼−10‰. We hypothesize these KIEs result in a relative depletion of 13C18O, a CO clumped isotope. To test this, we collected CO from air samples on Long Island, NY, and discovered a −3 to −8‰ difference in the clumped isotope ratio, Δ31, relative to a random distribution of 13C and 18O in CO. A clear negative trend between [CO] and Δ31 is driven by two factors: (a) the atmospheric addition of CO from either a primary or secondary source with a Δ31 of ∼0‰ and (b) the continuing reaction of CO with OH•, leaving the remaining CO pool relatively depleted in 13C18O. This is analogous to the mechanism that determines CO Δ17O values. This study is among the first to show clumped isotope fractionation resulting from atmospheric chemistry and not thermal equilibration, which may inform the identification of clumped isotope KIEs in other atmospheric trace gases. These first Δ31 observations motivate future experimental and observational studies targeted at characterizing the clumped isotopes of CO sources, background CO, and experimentally fractionated CO.
Three-dimensional characteristics of the alveolar capillary network in infant and adult human lungs
Authors: Rößler Giacomo , Labode Jonas , Schipke Julia , Tschanz Stefan A. , Mühlfeld Christian
Published: September 2024

Background

A comprehensive understanding of vascular development in the human lung is still missing.

Methods

Therefore, samples of infant (n = 5, 26 days to 18 months postnatally) and adult (n = 5, 20 to 40 years) human lungs were subjected to unbiased stereological estimation of the total number of capillary loops. Serial sections were segmented to visualize the alveolar capillary network (ACN) in 3D.

Results

The number of capillary loops increased in parallel to lung volume from 26 days to 18 months, while in adults, it was not correlated to lung volume. In infant lungs, two capillary layers were separated by a connective tissue sheet with a growing number of interconnections. In adults, the mature ACN was almost, but not completely, single-layered. Here, the connective tissue was thinner but still centrally positioned, suggesting the persistence of interconnected parts of both layers of the previously double-layered ACN.

Conclusions

Small parts of the capillaries remain double-layered and seem to be grouped around the thin connective tissue sheet, suggesting a different mechanism of microvascular maturation than simple fusion of the two layers. These spots are a potential basis for further alveolarization after completion of bulk formation.

Impact

The 3D data offer a new conceptual approach to microvascular maturation of the lung.

Microvascular maturation rather results from reduction than simple fusion of capillary fragments.

Adult lungs maintain small double-layered capillary spots.

These could offer a potential source of regeneration.

The data are important to better understand normal and pathological lung development.
A systematic framework for understanding the microbiome in human health and disease: from basic principles to clinical translation
Authors: Ma Ziqi , Zuo Tao , Frey Norbert , Rangrez Ashraf Yusuf
Published: September 2024

The human microbiome is a complex and dynamic system that plays important roles in human health and disease. However, there remain limitations and theoretical gaps in our current understanding of the intricate relationship between microbes and humans. In this narrative review, we integrate the knowledge and insights from various fields, including anatomy, physiology, immunology, histology, genetics, and evolution, to propose a systematic framework. It introduces key concepts such as the ‘innate and adaptive genomes’, which enhance genetic and evolutionary comprehension of the human genome. The ‘germ-free syndrome’ challenges the traditional ‘microbes as pathogens’ view, advocating for the necessity of microbes for health. The ‘slave tissue’ concept underscores the symbiotic intricacies between human tissues and their microbial counterparts, highlighting the dynamic health implications of microbial interactions. ‘Acquired microbial immunity’ positions the microbiome as an adjunct to human immune systems, providing a rationale for probiotic therapies and prudent antibiotic use. The ‘homeostatic reprogramming hypothesis’ integrates the microbiome into the internal environment theory, potentially explaining the change in homeostatic indicators post-industrialization. The ‘cell-microbe co-ecology model’ elucidates the symbiotic regulation affecting cellular balance, while the ‘meta-host model’ broadens the host definition to include symbiotic microbes. The ‘health-illness conversion model’ encapsulates the innate and adaptive genomes’ interplay and dysbiosis patterns. The aim here is to provide a more focused and coherent understanding of microbiome and highlight future research avenues that could lead to a more effective and efficient healthcare system.
Detecting adaptive changes in gene copy number distribution accompanying the human out-of-Africa expansion
Authors: Otto Moritz , Zheng Yichen , Grablowitz Paul , Wiehe Thomas
Published: September 2024

Genes with multiple copies are likely to be maintained by stabilizing selection, which puts a bound to unlimited expansion of copy number. We designed a model in which copy number variation is generated by unequal recombination, which fits well with several genes surveyed in three human populations. Based on this theoretical model and computer simulations, we were interested in determining whether the gene copy number distribution in the derived European and Asian populations can be explained by a purely demographic scenario or whether shifts in the distribution are signatures of adaptation. Although the copy number distribution in most of the analyzed gene clusters can be explained by a bottleneck, such as in the out-of-Africa expansion of Homo sapiens 60–10 kyrs ago, we identified several candidate genes, such as AMY1A and PGA3, whose copy numbers are likely to differ among African, Asian, and European populations.
Multidimensional social influence drives leadership and composition-dependent success in octopus–fish hunting groups
Authors: Sampaio Eduardo , Sridhar Vivek H. , Francisco Fritz A. , Nagy Máté , Sacchi Ada , Strandburg-Peshkin Ariana , Nührenberg Paul , Rosa Rui , Couzin Iain D. , Gingins Simon
Published: September 2024

Collective behaviour, social interactions and leadership in animal groups are often driven by individual differences. However, most studies focus on same-species groups, in which individual variation is relatively low. Multispecies groups, however, entail interactions among highly divergent phenotypes, ranging from simple exploitative actions to complex coordinated networks. Here we studied hunting groups of otherwise-solitary Octopus cyanea and multiple fish species, to unravel hidden mechanisms of leadership and associated dynamics in functional nature and complexity, when divergence is maximized. Using three-dimensional field-based tracking and field experiments, we found that these groups exhibit complex functional dynamics and composition-dependent properties. Social influence is hierarchically distributed over multiscale dimensions representing role specializations: fish (particularly goatfish) drive environmental exploration, deciding where, while the octopus decides if, and when, the group moves. Thus, ‘classical leadership’ can be insufficient to describe complex heterogeneous systems, in which leadership instead can be driven by both stimulating and inhibiting movement. Furthermore, group composition altered individual investment and collective action, triggering partner control mechanisms (that is, punching) and benefits for the de facto leader, the octopus. This seemingly non-social invertebrate flexibly adapts to heterospecific actions, showing hallmarks of social competence and cognition. These findings expand our current understanding of what leadership is and what sociality is.
Imaging the microstructure of lithium and sodium metal in anode-free solid-state batteries using electron backscatter diffraction
Authors: Fuchs Till , Ortmann Till , Becker Juri , Haslam Catherine G. , Ziegler Maya , Singh Vipin Kumar , Rohnke Marcus , Mogwitz Boris , Peppler Klaus , Nazar Linda F. , Sakamoto Jeff , Janek Jürgen
Published: September 2024

‘Anode-free’ or, more fittingly, metal reservoir-free cells could drastically improve current solid-state battery technology by achieving higher energy density, improving safety and simplifying manufacturing. Various strategies have been reported so far to control the morphology of electrodeposited alkali metal films to be homogeneous and dense, but until now, the microstructure of electrodeposited alkali metal is unknown, and a suitable characterization route is yet to be identified. Here we establish a reproducible protocol for characterizing the size and orientation of metal grains in differently processed lithium and sodium samples by a combination of focused ion beam and electron backscatter diffraction. Electrodeposited films at Cu|Li6.5Ta0.5La3Zr1.5O12, steel|Li6PS5Cl and Al|Na3.4Zr2Si2.4P0.6O12 interfaces were characterized. The analyses show large grain sizes (>100 µm) within these films and a preferential orientation of grain boundaries. Furthermore, metal growth and dissolution were investigated using in situ electron backscatter diffraction, showing a dynamic grain coarsening during electrodeposition and pore formation within grains during dissolution. Our methodology and results deepen the research field for the improvement of solid-state battery performance through a characterization of the alkali metal microstructure.
A toolbox for surfacing health equity harms and biases in large language models
Authors: Pfohl Stephen R. , Cole-Lewis Heather , Sayres Rory , Neal Darlene , Asiedu Mercy , Dieng Awa , Tomasev Nenad , Rashid Qazi Mamunur , Azizi Shekoofeh , Rostamzadeh Negar , McCoy Liam G. , Celi Leo Anthony , Liu Yun , Schaekermann Mike , Walton Alanna , Parrish Alicia , Nagpal Chirag , Singh Preeti , Dewitt Akeiylah , Mansfield Philip , Prakash Sushant , Heller Katherine , Karthikesalingam Alan , Semturs Christopher , Barral Joelle , Corrado Greg , Matias Yossi , Smith-Loud Jamila , Horn Ivor , Singhal Karan
Published: September 2024

Large language models (LLMs) hold promise to serve complex health information needs but also have the potential to introduce harm and exacerbate health disparities. Reliably evaluating equity-related model failures is a critical step toward developing systems that promote health equity. We present resources and methodologies for surfacing biases with potential to precipitate equity-related harms in long-form, LLM-generated answers to medical questions and conduct a large-scale empirical case study with the Med-PaLM 2 LLM. Our contributions include a multifactorial framework for human assessment of LLM-generated answers for biases and EquityMedQA, a collection of seven datasets enriched for adversarial queries. Both our human assessment framework and our dataset design process are grounded in an iterative participatory approach and review of Med-PaLM 2 answers. Through our empirical study, we find that our approach surfaces biases that may be missed by narrower evaluation approaches. Our experience underscores the importance of using diverse assessment methodologies and involving raters of varying backgrounds and expertise. While our approach is not sufficient to holistically assess whether the deployment of an artificial intelligence (AI) system promotes equitable health outcomes, we hope that it can be leveraged and built upon toward a shared goal of LLMs that promote accessible and equitable healthcare.
Assessment of doped graphene in the removal of atrazine from water
Authors: Hellal Ahmed , Abdelsalam Hazem , Tawfik Walid , Ibrahim Medhat A.
Published: September 2024

Atrazine is a widely used toxic herbicide that poses a threat to both the environment and human health. This study investigates the removal of Atrazine from water through armchair-hexagonal hexagonal graphene quantum dots (AHEX) simulations. The investigations are performed using density functional theory at the exchange–correlation hybrid functional B3LYP/3-21G level of theory. The activity of pristine AHEX, with a total dipole moment of 0.0 (debye), is enhanced by doping with boron (B), nitrogen (N), and sulfur atoms (S), resulting in increased total dipole moments of 8.99, 5.29, and 4.14 Debye respectively. This enhancement occurs without any structural deformation due to the doping process. Our results show significant adsorption capacity of the doped nanographene for Atrazine, evidenced by the high adsorption energies of 0.52 eV for boron, 0.62 eV for nitrogen, and 2.97 eV for sulfur. Charge distribution on the atrazine complexes further confirms effective interaction, with values of 0.03,  − 0.018, and 0.032 (e). UV–vis spectroscopy reveals that the prominent absorption peaks of boron and nitrogen-doped samples, initially at ~ 658.8 and 431 nm, undergo a redshift to ~ 676 and 444.3 nm after adsorption, respectively. This redshift aligns with the dominant excitation moving to lower energies following adsorption. Conversely, the sulfurated nanographene shows a blue shift from 980.66 to 485.41 nm. These findings highlight the potential of doped nanographene as an effective treatment for atrazine-contaminated water.
Probabilistic inference of epigenetic age acceleration from cellular dynamics
Authors: Dabrowski Jan K. , Yang Emma J. , Crofts Samuel J. C. , Hillary Robert F. , Simpson Daniel J. , McCartney Daniel L. , Marioni Riccardo E. , Kirschner Kristina , Latorre-Crespo Eric , Chandra Tamir
Published: September 2024

The emergence of epigenetic predictors was a pivotal moment in geroscience, propelling the measurement and concept of biological aging into a quantitative era; however, while current epigenetic clocks show strong predictive power, they are data-driven in nature and are not based on the underlying biological mechanisms driving methylation dynamics. We show that predictions of these clocks are susceptible to several confounding non-age-related phenomena that make interpretation of these estimates and associations difficult. To address these limitations, we developed a probabilistic model describing methylation transitions at the cellular level. Our approach reveals two measurable components, acceleration and bias, which directly reflect perturbations of the underlying cellular dynamics. Acceleration is the proportional increase in the speed of methylation transitions across CpG sites, whereas bias corresponds to global changes in methylation levels. Using data from 15,900 participants from the Generation Scotland study, we develop a robust inference framework and show that these are two distinct processes confounding current epigenetic predictors. Our results show improved associations of acceleration and bias with physiological traits known to impact healthy aging, such as smoking and alcohol consumption, respectively. Furthermore, a genome-wide association study of epigenetic age acceleration identified seven genomic loci.
Progress and perspectives on the reaction mechanisms in mild-acidic aqueous zinc–manganese oxide batteries
Authors: Bergschneider Matthew , Kong Fantai , Hwang Taesoon , Jo Youhwan , Alvarez Denyce , Cho Kyeongjae
Published: September 2024

The appeal of MnO2 as a cathode for rechargeable aqueous zinc–metal oxide batteries has attracted significant attention, but the complex mechanisms still require pairing of advanced characterization and computation techniques to overcome.
A splice-switch oligonucleotide loaded self-cleavable DNA nanogel
Authors: Hu Yuwei , Chen Feng , Lu Hongfang , Tan Susi , Ke Yujie , Loh Wei Wei , Soh Eugene Jia Hao , Taniya Agarwal , Tabaglio Tommaso , Wee Dave Keng Boon , Ying Jackie Y.
Published: September 2024

A self-cleavable DNA nanogel loaded with splice-switch oligonucleotide (SSO) was developed. At pH 5.0, acid-labile linker cleavage and i-motif formation caused the nanogel to disintegrate, efficiently releasing SSO in its native state.
Pyrrolidine-2,3-diones: heterocyclic scaffolds that inhibit and eradicate S. aureus biofilms
Authors: Valdes-Pena M. Alejandro , Ratchford Andrew , Nie Minhua , Schnabel Lauren V. , Pierce Joshua G.
Published: September 2024

Due to the looming risk of a new pre-antibiotic era, we report the synthesis and evaluation of a novel library of pyrrolidine-2,3-diones. As a new class of antimicrobials, these compounds have shown promising effectiveness against S. aureus planktonic and biofilm phenotypes.
Dye self-organization in doped silica nanoparticles increases the electrochemiluminescence emission in magnetic bead-based assays
Authors: Alemu Yemataw Addis , Difonzo Marinella , Genovese Damiano , Paolucci Francesco , Prodi Luca , Rampazzo Enrico , Valenti Giovanni
Published: September 2024

The charge of different Ru(ii) Electro-Chemi-Luminescent complexes drives their self-organization inside doped silica nanoparticles, increasing the generated ECL signal in a magnetic microbeads-based immunoassay model.
Structural basis for a two-dimensional flexible pharmaceutical solvate crystal: indomethacin methanol
Authors: Bhowmik Aritra , Bamane Sanjivani , Mishra Manish Kumar
Published: September 2024

We present the first 2D elastic pharmaceutical-solvate crystal and utilized Raman spectroscopy to reveal inhomogeneous lattice distribution during bending.
Single crystal growth and electrical transport of two-dimensional van der Waals antiferromagnetic Fe1.3Te
Authors: Zhang Gaojie , Annas Ahmed , Lei Wenyu , Wu Hao , Yang Li , Jin Wen , Xiao Bichen , Yu Jie , Zhang Wenfeng , Chang Haixin
Published: September 2024

The antiferromagnetic state, structural phase transition, and carrier type transition have been observed in a new two-dimensional van der Waals crystal Fe1.3Te with the highest Fe content compared to known Fe1+xTe systems.
Uncovering the decomposition mechanism of nitrate ester plasticized polyether (NEPE): a neural network potential simulation
Authors: Wen Mingjie , Shi Juntao , Chang Xiaoya , Han Jiahe , Pang Kehui , Chen Dongping , Chu Qingzhao
Published: September 2024

The developed NNP model for the NEPE matrix captures mechanical and thermal behaviors with DFT accuracy. Time-resolved 3D reconstruction of the decomposition process demonstrates that binders enhance stability and extend energy release time.
Size effect on the pyrolysis of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) nanoparticles: a ReaxFF molecular dynamics study
Authors: Guan Jialu , Dong Guanchen , Lv Jing , Zhang Libo , Yang Guangcheng , Huang Xiaona , Tan Linghua
Published: September 2024

A thermal stimulation molecular dynamics study of nano-TATB particles revealed size-dependent decomposition: smaller particles are more likely to decompose into small molecules, while larger particles tend to undergo polymerization.
Dry desulphurisation of gas streams using KCC-1 mesoporous silica functionalised with deep eutectic solvents
Authors: Azizman Mohd Saiful Adli , Hanif Muhammad Adli , Ibrahim Naimah , Azhari Ayu Wazira , Wan Ramli Wan Khairunnisa , Abdul Jalil Aishah , Hassan Nurul Sahida , Abdul Aziz Fazilah Farhana , Raja Nazri Raja Nazrul Hakim
Published: September 2024

A potential dry desulphurisation strategy using KCC-1 mesoporous silica modified with a deep eutectic solvent comprising choline chloride and glycerol.
Plasma-assisted fabrication of ultra-dispersed copper oxides in and on C-rich carbon nitride as functional composites for the oxygen evolution reaction
Authors: Benedet Mattia , Fasan Angelica , Barreca Davide , Maccato Chiara , Sada Cinzia , Deambrosis Silvia Maria , Zin Valentina , Montagner Francesco , Lebedev Oleg I. , Modin Evgeny , Rizzi Gian Andrea , Gasparotto Alberto
Published: September 2024

Amorphous carbon nitride functionalized with ultra-dispersed copper oxides through a plasma-assisted route holds promise as an electrocatalyst for water splitting applications.
Yellow emissive and high fluorescence quantum yield carbon dots from perylene-3,4,9,10-tetracarboxylic dianhydride for anticounterfeiting applications
Authors: Ullal Namratha , Sahoo Bibekananda , Sunil Dhanya , Kulkarni Suresh D. , Bhat K. Udaya , P. J. Anand
Published: September 2024

Forged products are widespread in the market and there is an immediate need to counter this growing menace.
DFT mechanistic insights into the formation of the metal-dioxygen complex [Co(12-TMC)O2]+ using H2O2 as an [O2] unit source
Authors: Zhao Ruihua , Wang Zhi-Xiang , Guo Mian , Li Jia
Published: September 2024

The reaction of [M(L)]n with H2O2 as an [O2] unit source and NEt3 as a base is a widely used biomimetic transition metal-peroxo and -superoxo complex [M(L)O2]n−1 synthesis method, but the mechanism and accurate stoichiometry remain elusive.
Development and characterization of bael (Aegle marmelos) leaf extract incorporated chitosan-based functional edible coating and its application on stored tomatoes
Authors: Kr Paul Sanjib , Dutta Himjyoti , Chakraborty Sayantan , Deka Gunjana , Sarkar Sudipto , Narayan Sethi Laxmi , Kumar Ghosh Sujit
Published: September 2024

A bael (Aegle marmelos) leaf extract (BLE) incorporated chitosan-based functional edible coating was developed in this study.
The electrochemical CO2 reduction reaction on TM–C3N5 for C1 products: a DFT study
Authors: Cao Huijun , Sheng Li
Published: September 2024

In the electrochemical CO2 reduction reaction (CO2RR), transition metal atoms embedded in carbon and nitrogen materials are widely used as highly efficient catalysts because of their excellent catalytic activity and maximum atomic utilization.
Electrospun nanofibers of 2D Cr2CTx MXene embedded in PVA for efficient electrocatalytic water splitting
Authors: R. Madhushree , K. P. Chaithra , K. R. Sunaja Devi , T. P. Vinod
Published: September 2024

The development of electrospun nanofibers by incorporating 2D Cr2CTx MXene into PVA matrices is investigated towards electrocatalytic water splitting.
Activatable anticancer peptides with mutually suppressed bioactivity and their induced cytotoxicity by matrix metalloproteinase-2
Authors: Lee Jeonghun , Kim Ha Gyeong , Oh Eun-Taex
Published: September 2024

Anionic antimicrobial peptides are utilized as negatively charged components of activatable cell penetrating peptides to construct activatable anticancer peptides with mutually suppressed bioactivity.
Construction of contiguous quaternary carbon centers enabled by dearomatization of phenols with 3-bromooxindoles
Authors: Li Hui , Wang Xi , Chang Minhang , Wu Mengbo , Yuan Xinyu , Hui Xiangyu , Wei Hongbo , Xi Juyun , Xie Weiqing
Published: September 2024

Dearomatization of phenols through conjugate addition to in situ generated indol-2-one from 3-bromooxindole to construct 3-substituted oxindoles containing contiguous quaternary carbon centers is presented.
Pyrazole based palladacycles for the synthesis of β-aminoketones by redox coupling of allyl alcohols and anilines
Authors: Samser Shaikh , Biswal Priyabrata , Mamidala Ramesh , Meher Sushanta Kumar , Venkatasubbaiah Krishnan
Published: September 2024

We present a base- and additive-free synthesis of β-aminoketones from allyl alcohols at room temperature. Furthermore, the BINOL phosphoric acid-coordinated palladacycle, which is believed to be the active species in the reaction, was identified.
Palladium-catalyzed regioselective carbonylation of 2-amino-2,3-diphenylpropanoate to 5/6-membered benzolactams
Authors: Hu Huaanzi , Zhang Can , Ma Zhehao , Wang Cheng , Zhao Donghui , Bai Yang , Ni Xinye , Wang Jianhao
Published: September 2024

Unprecedented free amine-oriented regioselective activations/carbonylations mediated by hexacarbonylmolybdenum have been developed to synthesize 5/6-membered benzolactams respectively.
Production of mask oil using a biogas-fired reactor with a fly ash catalyst and its assessment in a diesel engine
Authors: RajaKullayappa D. , Karthikeyan G. , Premkumar P. , Elangkathir V. , Saravanan C. G.
Published: September 2024

During the COVID-19 pandemic, disposable masks were widely used, which raised substantial environmental concerns due to their improper disposal and plastic pollution.
Yop1 stability and membrane curvature generation propensity are controlled by its oligomerisation interface
Authors: Chandran Anu V. , Álvarez Daniel , Vanni Stefano , Schnell Jason R.
Published: September 2024

The DP1 family of integral membrane proteins stabilize high membrane curvature in the endoplasmic reticulum and phagophores. Mutations in the human DP1 gene REEP1 are associated with Hereditary Spastic Paraplegia type 31 and distal hereditary motor neuropathy. Four missense mutations map to a putative dimerization interface but the impact of these mutations on DP1 structure and tubule formation are unknown. Combining biophysical measurements, functional assays, and computational modeling in the context of the model protein Yop1, we found that missense mutations have variable effects on DP1 dimer structure and in vitro tubulation activity, and provide mechanistic insights into the role of DP1 oligomerisation on membrane curvature stabilization. Whereas the mutations P71L and S75F decreased dimer homogeneity and led to polydisperse oligomerization and impaired membrane curving activity, A72E introduced new polar interactions between subunits that stabilized the Yop1 dimer and allowed robust tubule formation but prevented formation of more highly-curved lipoprotein particles (LPP). The introduction of a BRIL domain to the cytoplasmic loop of A72E rescued LPP formation, consistent with a requirement for dimer splaying in highly curved membranes. These results suggest that the membrane curving activity of DP1 proteins requires both dimer stability and conformational plasticity at the intermolecular interface.
CO2 and NO2 formation on amorphous solid water
Authors: Upadhyay Meenu , Meuwly Markus
Published: September 2024

Context. The dynamics of molecule formation, relaxation, diffusion, and desorption on amorphous solid water (ASW) is studied in a quantitative fashion.

Aims. The formation probability, stabilization, energy relaxation, and diffusion dynamics of CO2 and NO2 on cold ASW following atom+diatom recombination reactions are characterized quantitatively.

Methods. Accurate machine-learned energy functions combined with fluctuating charge models were used to investigate the diffusion, interactions, and recombination dynamics of atomic oxygen with CO and NO on ASW. Energy relaxation to the ASW and into water internal degrees of freedom were determined from the analysis of the vibrational density of states. The surface diffusion and desorption energetics were investigated with extended and nonequilibrium MD simulations.

Results. The reaction probability is determined quantitatively and it is demonstrated that surface diffusion of the reactants on the nanosecond time scale leads to recombination for initial separations of up to 20 Å. After recombination, both CO2 and NO2 stabilize by energy transfer to water internal and surface phonon modes on the picosecond timescale. The average diffusion barriers and desorption energies agree with those reported from experiments, which validates the energy functions. After recombination, the triatomic products diffuse easily, which contrasts with the equilibrium situation, in which both CO2 and NO2 are stationary on the multinanosecond timescale.
Relative evolution of eclipsing binaries: A tool for measuring globular cluster ages and He abundances
Authors: Cristi-Cambiaso N. , Catelan M. , Valcarce A. A. R. , Papageorgiou A.
Published: September 2024

Context. Globular clusters (GCs) are among the oldest objects in the Universe for which an age can be directly measured; they thus play an important cosmological role. This age depends sensitively on the He abundance, however, which cannot be reliably measured from spectroscopy in GC stars. Detached eclipsing binaries (DEBs) near the turnoff (TO) point may play an important role in this regard.

Aims. The aim of this study is to explore the possibility that, by working with differential measurements of stars that comprise a TO binary system and by assuming the two stars have the same age and He abundance, one can achieve tighter, more robust, and less model-dependent constraints on the ages and He abundances than otherwise possible by working with the absolute parameters of the stars.

Methods. We compared both the absolute and differential parameters of the stars in V69, a TO DEB pair in the GC 47 Tuc, with two different sets of stellar evolutionary tracks, making use of a Monte Carlo technique to estimate the GC’s He abundance and age, along with their uncertainties.

Results. We find that the relative approach can produce age and He abundance estimates that are in good agreement with those from the literature. We show that our estimates are also less model-dependent, less sensitive to [Fe/H], and more robust to inherent model systematics than those obtained with an absolute approach. On the other hand, the relative analysis results in larger statistical uncertainties than its absolute counterpart, at least in the case of V69, where the two stars have very similar properties. For binary pairs in which one of the components is less evolved than the other, the statistical uncertainty can be reduced.

Conclusions. Our results suggest that the method proposed in this work can be used to robustly constrain the He abundance and ages of GCs.
Investigating the asymmetry of young stellar outflows: Combined MUSE-X-shooter study of the Th 28 jet
Authors: Murphy A. , Whelan E. T. , Bacciotti F. , Coffey D. , Comerón F. , Eislöffel J. , Nisini B. , Antoniucci S. , Alcalá J. M. , Ray T. P.
Published: September 2024

Context. Characterising stellar jet asymmetries is key to setting robust constraints on jet launching models and improving our understanding of the underlying mechanisms behind jet launching.

Aims. We aim to characterise the asymmetric properties of the bipolar jet coming from the Classical T Tauri Star Th 28.

Methods. We combined data from integral field spectroscopy with VLT/MUSE and high-resolution spectra from VLT/X-shooter to map the optical emission line ratios in both jet lobes. We carried out a diagnostic analysis of these ratios to compare the density, electron temperature, and ionisation fraction within both lobes. The mass accretion rate was derived from the emission lines at the source and compared with the mass outflow rate derived for both lobes, using the estimated densities and measured [O I]λ6300 and [S II]λ6731 luminosities.

Results. The blue-shifted jet exhibits a significantly higher electron temperature and moderately higher ionisation fraction than the red-shifted jet. In contrast to previous studies, we also estimated higher densities, denoted as nH , in the blue-shifted jet by a factor of ~2. These asymmetries are traced to within 1″ (160 au) of the source in the line ratio maps. We find Ṁacc = 2.4 × 10−7 M⊙ yr−1, with an estimated obscuration factor of ~54 due to grey scattering around the star. Estimated values of Ṁout range between 0.66 and 13.7 × 10−9 M⊙ yr−1 in the blue-shifted jet and 5–9 × 10−9 M⊙ yr−1 in the red-shifted jet.

Conclusions. The emission line maps and diagnostic results suggest that the jet asymmetries originate close to the source and are likely to be intrinsic to the jet. Furthermore, the combined dataset offers access to a broad array of accretion tracers. In turn, this enables a more accurate estimation of the mass accretion rate, revealing a value of Ṁacc that is higher by a factor >350 than would otherwise be determined.
XUV irradiation of young planetary atmospheres. Results from a joint XMM-Newton and HST observation of HIP67522
Authors: Maggio A. , Pillitteri I. , Argiroffi C. , Locci D. , Benatti S. , Micela G.
Published: September 2024

Context. The evaporation and the chemistry of the atmospheres of warm and hot planets are strongly determined by the high-energy irradiation they receive from their parent stars. This is more crucial among young extra-solar systems because of the high activity of stars at early ages. In particular, the extreme-ultraviolet (EUV) part of the stellar spectrum drives significant processes of photochemical interaction, but it is not directly measurable because of strong interstellar absorption and a lack of sufficiently sensitive instrumentation. An alternative approach is to derive synthetic spectra from the analysis of far-ultraviolet (FUV) and X-ray emission lines, which allow us to estimate the missed flux in the EUV band.

Aims. We performed joint and simultaneous spectroscopy of HIP 67522 with XMM-Newton and the Hubble Space Telescope in order to reconstruct the full high-energy spectrum of this 17 Myr-old solar-type (G0) star, which is the youngest transiting multiplanet system known to date.

Methods. We performed a time-resolved spectral analysis of the observations, including quiescent emission and flaring variability. We then derived the emission measure distribution (EMD) versus temperature of the chromospheric and coronal plasma from the high-resolution spectra obtained in X-rays with RGS and in FUV with COS.

Results. We derived broad-band X-ray and EUV luminosities from the synthetic spectrum based on the EMD, which allowed us to test alternative EUV versus X-ray scaling laws available in the literature. We also employed the total X–EUV flux received by the inner planet of the system to estimate its instantaneous atmospheric mass-loss rate.

Conclusions. We confirm that HIP 67522 is a very active star with a hot corona, reaching plasma temperatures above 20 MK even in quiescent state. Its EUV/X-ray flux ratio falls in between the predictions of the two scaling laws we tested, indicating an important spread in the stellar properties, which requires further investigation.
An ‘alien’ called the Oosterhoff dichotomy?
Authors: Luongo E. , Ripepi V. , Marconi M. , Prudil Z. , Rejkuba M. , Clementini G. , Longo G.
Published: September 2024

Aims. In this Letter we investigate the origin of the Oosterhoff dichotomy in light of recent discoveries related to several ancient merging events of external galaxies with the Milky Way (MW). In particular, we aim to clarify if the subdivision in terms of the Oosterhoff type between Galactic globular clusters (GGCs) and field RR Lyrae (RRLs) can be traced back to one or more ancient galaxies that merged with the MW in its past.

Methods. We first explored the association of GGCs with the past merging events according to different literature studies. Subsequently, we compiled the positions, proper motions, and radial velocities of 10 138 field RRL variables from Gaia Data Release 3. To infer the distances, we adopted the MG–[Fe/H] relation, with [Fe/H] values estimated via empirical relationships involving individual periods and Fourier parameters. We then calculated the orbits and the integrals of motion using the Python library Galpy for the whole sample. By comparing the location of the field RRLs in the energy–angular momentum diagram with that of the GGCs, we determined their likely origin. Finally, using GaiaG-band light curves, we determined the Oosterhoff types of our RRL stars based on their location in the Bailey diagram.

Results. The analysis of the Bailey diagrams for Galactic RRL stars and GGCs associated with an ‘in situ’ versus ‘accreted’ halo origin shows remarkable differences. The in situ sample shows a wide range of metallicities with a continuous distribution and no sign of the Oosterhoff dichotomy. Conversely, the accreted RRLs clearly show the Oosterhoff dichotomy and a significantly smaller dispersion in metallicity.

Conclusions. Our results suggest that the Oosterhoff dichotomy was imported into the MW by the merging events that shaped the Galaxy.