bluuebunny/crossref_metadata_2025 huggingface dataset:
IL-2 delivery to CD8+ T cells during infection requires MRTF/SRF-dependent gene expression and cytoskeletal dynamics
Authors: Maurice Diane , Costello Patrick , Diring Jessica , Gualdrini Francesco , Frederico Bruno , Treisman Richard
Published: September 2024

Paracrine IL-2 signalling drives the CD8 + T cell expansion and differentiation that allow protection against viral infections, but the underlying molecular events are incompletely understood. Here we show that the transcription factor SRF, a master regulator of cytoskeletal gene expression, is required for effective IL-2 signalling during L. monocytogenes infection. Acting cell-autonomously with its actin-regulated cofactors MRTF-A and MRTF-B, SRF is dispensible for initial TCR-mediated CD8+ T cell proliferation, but is required for sustained IL-2 dependent CD8+ effector T cell expansion, and persistence of memory cells. Following TCR activation, Mrtfab-null CD8+ T cells produce IL-2 normally, but homotypic clustering is impaired both in vitro and in vivo. Expression of cytoskeletal structural and regulatory genes, most notably actins, is defective in Mrtfab-null CD8+ T cells. Activation-induced cell clustering in vitro requires F-actin assembly, and Mrtfab-null cell clusters are small, contain less F-actin, and defective in IL-2 retention. Clustering of Mrtfab-null cells can be partially restored by exogenous actin expression. IL-2 mediated CD8+ T cell proliferation during infection thus depends on the control of cytoskeletal dynamics and actin gene expression by MRTF-SRF signalling.
Histones and histone variant families in prokaryotes
Authors: Schwab Samuel , Hu Yimin , van Erp Bert , Cajili Marc K. M. , Hartmann Marcus D. , Hernandez Alvarez Birte , Alva Vikram , Boyle Aimee L. , Dame Remus T.
Published: September 2024

Histones are important chromatin-organizing proteins in eukaryotes and archaea. They form superhelical structures around which DNA is wrapped. Recent studies have shown that some archaea and bacteria contain alternative histones that exhibit different DNA binding properties, in addition to highly divergent sequences. However, the vast majority of these histones are identified in metagenomes and thus are difficult to study in vivo. The recent revolutionary breakthroughs in computational protein structure prediction by AlphaFold2 and RoseTTAfold allow for unprecedented insights into the potential function and structure of previously uncharacterized proteins. Here, we categorize the prokaryotic histone space into 17 distinct groups based on AlphaFold2 predictions. We identify a superfamily of histones, termed α3 histones, which are common in archaea and present in several bacteria. Importantly, we establish the existence of a large family of histones throughout archaea and in some bacteriophages that, instead of wrapping DNA, bridge DNA, thereby diverging from conventional nucleosomal histones.
Biological activities of derived pigments and polyphenols from the newly recorded alga Phyllymenia gibbesii
Authors: El-Din Nihal G. Shams , Hafez Mohamed S. M. Abd El , El-Wahab Miral G. Abd , Ibrahim Hassan A. H.
Published: September 2024

The newly recorded Phyllymenia gibesii in the Mediterranean Sea at Alexandria coast of Egypt is regarded as a significant source of bioactive substances and is applied as an antioxidant, anti-inflammatory, and antimicrobial agent. According to the HPLC chromatograms, the acetone extract of P. gibesii comprised ten photosynthetic pigments (chlorophyll-a, chlorophyll-d, α-carotene, β-carotene, phycocyanin, allophycocyanin, antheraxanthin, β-cryptoxanthin, lutein, and violaxanthin). Total carotenoids were the dominant class in the pigments’ profile, achieving a concentration of 257 g/g dry weight. The P. gibbesii extract had a total content of phenols (146.67 mg/g) and a total content of flavonoids (104.40 mg/g). The capacity of all the investigated biological activities augmented with the concentration of the algal extract. The maximal DPPH scavenging capacity was 81.44%, with an inhibitory concentration (IC50) of 9.88 μg/mL. Additionally, the highest ABTS scavenging capacity was 89.62%, recording an IC50 of 21.77 μg/mL. The hemolytic activity of P. gibbesii attained a maximum capacity of 49.88% with an IC50 of 100.25 μg/mL. Data also showed the maximum anti-inflammatory effectiveness at 81.25%, with an IC50 of 99.75 μg/mL. Furthermore, the extract exhibited antimicrobial capacity against all reference strains, particularly at high concentrations (0.1 mg/mL), with the greatest effect on C. albicans and E. coli.
Hydrogeochemical and isotopic investigations of groundwater in the reclaimed desert located between EL Nasr canal and Mariut Tableland, NW Coast, Egypt
Authors: Alezabawy Ahmed K. , Eissa Mustafa , Salem Zenhom El-Said
Published: September 2024

A complete understanding of groundwater dynamics and its interaction with surface water under the impact of agricultural activities is vital for local agriculture, ecology, and residents of dry regions, which is not commonly recognized in arid areas. This research outlines the geochemical characteristics, recharge sources, and potential factors impacting groundwater quality in a new land reclamation located in the small basin of Abu Mina, which is part of the Western Nile Delta region.1 Thirty-one groundwater samples and two surface water samples were collected in 2021 to represent the Pleistocene aquifer and were subjected to multivariate statistical, hydrochemical, and stable isotope analyses. Data analysis demonstrates that Na+> Ca2+> Mg2+> K+and SO42– > Cl– > HCO3– > NO3–are the predominant cations and anions, respectively. Groundwater salinity ranged from 465.60 to 6455.18 mg/l, with slightly alkaline. Most of the water samples fall into one of three types of facies: Ca–Cl, Na–Cl, and Mixed Ca–Mg–Cl, in decreasing order. The meteoric genesis index (r2) indicates that deep meteoric water percolation dominates the Pleistocene aquifer. The aquiline diagrams, correlation matrix, and different ionic ratios indicate that evaporation, reverse ion exchange reactions, and the dissolution of carbonate and silicate minerals are the main processes governing groundwater chemistry. Factor analysis (FA) indicated that three factors explain groundwater hydrochemistry, accounting for 71.98% of the total variance. According to the rotating components matrix (F1–F3), the chemistry of the Quaternary aquifer is principally affected by evaporation, ion exchange reactions, and anthropogenic influences. Additionally, salinity increases due to the return flow of irrigation activities and mixing between old and recent water. The stable isotopes (δ18Oand δ2H) indicate that the Quaternary aquifer receives groundwater recharge through the return flow of excess irrigation and canal seepage. Under desert reclamation conditions, groundwater salinization processes should be given special consideration. All groundwater samples are appropriate for agricultural irrigation based on the Sodium Adsorption Ratio (SAR), Permeability Index (PI), Percent Sodium (%Na), and Residual Sodium Carbonate (RSC).
Evaluation of gold mineralisation potential using AHP systems and weighted overlay analysis
Authors: Abubakar Fahad , Alao Joseph Omeiza , Ogah Arewa James , Ayuba Rufai , Lekdukun Mercy Omojo , Baba Yahaya , Sadiq Fatihu Kabir , Samson Emmanuel Ejiga , Aliyu Abubakar
Published: September 2024

The demand for sustainable development goals and the absence of systematic development and organised exploration for gold has prompted this study to integrate magnetic and radiometric datasets with lithology to evaluate the gold mineralisation potential in the Ilesha schist belt. This study considers 3168.72 km2 of the Ilesha schist belt in southwestern Nigeria, a frontier belt for gold deposits. The high-resolution airborne magnetic and radiometric datasets were processed using enhancement techniques, including the analytical signal, lineament density, and K/Th ratio. CET grid analysis, Euler deconvolution, and analytical signal depth estimation methods were used to aid the interpretation. The spatial integration and interpolation were performed using the Analytical Hierarchy Process (AHP) and weighted overlay analytical tools within the ArcGIS environment. The dominant structural controls for potential mineralisation are ENE–WSW and ESE–WNW trends. The depth of the magnetic sources revealed by the analytical signal ranged from 63.17 to 629.47 m, while depths ranging from 47.32 to 457.22 m were obtained from Euler deconvolution. The delineated highly magnetic edge sources, dense lineaments, radiometrically highlighted alteration zones, and lithological hosts for gold mineralisation were integrated to establish the gold mineralisation potential map. The AHP deductions reveal that 10.52% of the study site is within the high mineralisation potential class, a remarkable 60.39% falls within the moderate class, a significant portion (28.86%) falls within the poor class, and 0.23% is considered unfavourable. The result was optimised by validation using known mines, with 94% (i.e., 15 out of 16 mining sites) plotting within the high mineralisation potential class. This assessment provides invaluable insight for stakeholders and policymakers to embark on gold exploration and exploitation and promote sustainable mineral development.
SARS-CoV-2 envelope protein alters calcium signaling via SERCA interactions
Authors: Berta Blanka , Tordai Hedvig , Lukács Gergely L. , Papp Béla , Enyedi Ágnes , Padányi Rita , Hegedűs Tamás
Published: September 2024

The clinical management of severe COVID-19 cases is not yet well resolved. Therefore, it is important to identify and characterize cell signaling pathways involved in virus pathogenesis that can be targeted therapeutically. Envelope (E) protein is a structural protein of the virus, which is known to be highly expressed in the infected host cell and is a key virulence factor; however, its role is poorly characterized. The E protein is a single-pass transmembrane protein that can assemble into a pentamer forming a viroporin, perturbing Ca2+ homeostasis. Because it is structurally similar to regulins such as, for example, phospholamban, that regulate the sarco/endoplasmic reticulum calcium ATPases (SERCA), we investigated whether the SARS-CoV-2 E protein affects the SERCA system as an exoregulin. Using FRET experiments we demonstrate that E protein can form oligomers with regulins, and thus can alter the monomer/multimer regulin ratio and consequently influence their interactions with SERCAs. We also confirm that a direct interaction between E protein and SERCA2b results in a decrease in SERCA-mediated ER Ca2+ reload. Structural modeling of the complexes indicates an overlapping interaction site for E protein and endogenous regulins. Our results reveal novel links in the host-virus interaction network that play an important role in viral pathogenesis and may provide a new therapeutic target for managing severe inflammatory responses induced by SARS-CoV-2.
Alpha-1 antitrypsin inhibits Clostridium botulinum C2 toxin, Corynebacterium diphtheriae diphtheria toxin and B. anthracis fusion toxin
Authors: Lietz Stefanie , Sokolowski Lena-Marie , Barth Holger , Ernst Katharina
Published: September 2024

The bacterium Clostridium botulinum, well-known for producing botulinum neurotoxins, which cause the severe paralytic illness known as botulism, produces C2 toxin, a binary AB-toxin with ADP-ribosyltranferase activity. C2 toxin possesses two separate protein components, an enzymatically active A-component C2I and the binding and translocation B-component C2II. After proteolytic activation of C2II to C2IIa, the heptameric structure binds C2I and is taken up via receptor-mediated endocytosis into the target cells. Due to acidification of endosomes, the C2IIa/C2I complex undergoes conformational changes and consequently C2IIa forms a pore into the endosomal membrane and C2I can translocate into the cytoplasm, where it ADP-ribosylates G-actin, a key component of the cytoskeleton. This modification disrupts the actin cytoskeleton, resulting in the collapse of cytoskeleton and ultimately cell death. Here, we show that the serine-protease inhibitor α1-antitrypsin (α1AT) which we identified previously from a hemofiltrate library screen for PT from Bordetella pertussis is a multitoxin inhibitor. α1AT inhibits intoxication of cells with C2 toxin via inhibition of binding to cells and inhibition of enzyme activity of C2I. Moreover, diphtheria toxin and an anthrax fusion toxin are inhibited by α1AT. Since α1AT is commercially available as a drug for treatment of the α1AT deficiency, it could be repurposed for treatment of toxin-mediated diseases.
Paleo-climatic control on recharge and fresh-salt groundwater distribution in the Red River delta plain, Vietnam
Authors: Larsen Flemming , Van Hoang Hoan , Tran Long Vu , Pham Nhan Quy
Published: September 2024

Paleo-climatic induced sedimentation controls present-day recharge and the fresh-salt groundwater distribution in Quaternary delta systems. During sea-level highstands, marine clays with saline pore water were deposited and are interbedded with aquifers of coarse-grained sandy fluvial and shallow marine deposits, laid down during lowstands. The low-permeable marine layers may inhibit recent recharge to deeper aquifers, and thereby limit sustainable use of these freshwater resources. This phenomenon has been investigated in the Red River delta plain, using geophysical borehole logging, transient electromagnetic soundings, groundwater chemistry, stable isotope analysis and 3H and 14C dating of groundwater. Results reveal that marine saline pore water is still present in the Holocene marine clays, implying that fresh water has not entered the clays since their deposition. Therefore, recharge within the delta plain is not occurring and the deeper aquifers are hydraulically disconnected from the upper sandy layers. Today, recharge only occurs from the hinterland. Recharge during the last glacial period has flushed saline pore water from Pleistocene marine clays, but these clays were again affected by saline water during the Holocene transgression. The use of the groundwater resources in the delta plain must be adjusted to the present recharge to be sustainable.
OceanNet: a principled neural operator-based digital twin for regional oceans
Authors: Chattopadhyay Ashesh , Gray Michael , Wu Tianning , Lowe Anna B. , He Ruoying
Published: September 2024

While data-driven approaches demonstrate great potential in atmospheric modeling and weather forecasting, ocean modeling poses distinct challenges due to complex bathymetry, land, vertical structure, and flow non-linearity. This study introduces OceanNet, a principled neural operator-based digital twin for regional sea-suface height emulation. OceanNet uses a Fourier neural operator and predictor-evaluate-corrector integration scheme to mitigate autoregressive error growth and enhance stability over extended time scales. A spectral regularizer counteracts spectral bias at smaller scales. OceanNet is applied to the northwest Atlantic Ocean western boundary current (the Gulf Stream), focusing on the task of seasonal prediction for Loop Current eddies and the Gulf Stream meander. Trained using historical sea surface height (SSH) data, OceanNet demonstrates competitive forecast skill compared to a state-of-the-art dynamical ocean model forecast, reducing computation by 500,000 times. These accomplishments demonstrate initial steps for physics-inspired deep neural operators as cost-effective alternatives to high-resolution numerical ocean models.
Auditory objects in working memory include task-irrelevant features
Authors: Fischer Cora , Nolting Carina , Schneider Flavia , Bledowski Christoph , Kaiser Jochen
Published: September 2024

Object-based attention operates both in perception and visual working memory. While the efficient perception of auditory stimuli also requires the formation of auditory objects, little is known about their role in auditory working memory (AWM). To investigate whether attention to one object feature in AWM leads to the involuntary maintenance of another, task-irrelevant feature, we conducted four experiments. Stimuli were abstract sounds that differed on the dimensions frequency and location, only one of which was task-relevant in each experiment. The first two experiments required a match–nonmatch decision about a probe sound whose irrelevant feature value could either be identical to or differ from the memorized stimulus. Matches on the relevant dimension were detected more accurately when the irrelevant feature matched as well, whereas for nonmatches on the relevant dimension, performance was better for irrelevant feature nonmatches. Signal-detection analysis showed that changes of irrelevant frequency reduced the sensitivity for sound location. Two further experiments used continuous report tasks. When location was the target feature, changes of irrelevant sound frequency had an impact on both recall error and adjustment time. Irrelevant location changes affected adjustment time only. In summary, object-based attention led to a concurrent maintenance of task-irrelevant sound features in AWM.
Impact of heat stress during close-up dry period on performance, fertility and immunometabolic blood indices of dairy cows: prospective cohort study
Authors: Stefanska Barbara , Pruszynska-Oszmalek Ewa , Fievez Veerle , Purwin Cezary , Nowak Włodzimierz
Published: September 2024

This study aimed to investigate whether heat stress, as defined by the temperature-humidity index (THI) during the close-up dry period, had any impact on the productive performance, fertility, and immunometabolic blood indices of dairy cows in the subsequent lactation. Lactation performance was associated with increasing THI values on − 21, − 14, and − 7 d before calving resulting in decreased milk yield by about 2.30, 2.60, and 2.90 kg, respectively. The THI on the − 7 d before the calving was negatively associated with fertility parameters such as delayed first estrus postpartum, an elongated calving interval by approximately 32 d, a higher number of services per conception by 1.00, and an elongated artificial insemination service period, days open, and inter-calving period by about 20, 52, and 52 d, respectively. The study found that the immunometabolic blood indices were associated with increasing THI values during the close-up dry period. The study showed that exposing dairy cows to close-up dry period heat stress had negative consequences on performance, fertility, and immunometabolic blood indices in the subsequent lactation. Therefore, it is recommended that herd management and barn microclimate changes be implemented earlier, starting from the late dry period, to mitigate the negative impact of heat stress.
The role of affective control, strategy repertoire and subjective emotion regulation success in developmental internalising psychopathology
Authors: Herber Carolin C. L. M. , Lott-Sandkamp Lea L. , Straub Elisa R. , Tuschen-Caffier Brunna
Published: September 2024

Adolescence poses significant challenges for emotion regulation (ER) and is thus a critical phase in the emergence of various mental disorders, specifically internalising disorders such as anxiety and depression. Affective control, defined as the application of cognitive control in affective contexts, is crucial for effective ER. However, the relationship between ER and affective control is unclear. This study examined the predictive role of ER strategies and difficulties in affective control, measured as the congruency effect and error rate on an Emotional Stroop task (EST), in a sample of adolescents and young adults (aged 14–21, M = 17.28, 22% male). It was hypothesised that participants with internalising disorders would show higher congruency effects and error rates on the EST than healthy controls after a psychosocial stress induction, indicating lower affective control. Surprisingly, our findings revealed no significant differences in these measures between the groups. However, higher depression scores were associated with increased EST errors. While ER strategies and difficulties did not predict affective control, exploratory analyses unveiled associations between depression scores and ER strategy repertoire, perceived ER success and the ER strategy Acceptance. These findings underscore the importance of implicit ER facets, particularly perceived ER success and flexibility to change between applied strategies for adolescents and young adults with elevated depressive symptoms.
Lifestyle differences between co-twins are associated with decreased similarity in their internal and external exposome profiles
Authors: Drouard Gabin , Wang Zhiyang , Heikkinen Aino , Foraster Maria , Julvez Jordi , Kanninen Katja M. , van Kamp Irene , Pirinen Matti , Ollikainen Miina , Kaprio Jaakko
Published: September 2024

Whether differences in lifestyle between co-twins are reflected in differences in their internal or external exposome profiles remains largely underexplored. We therefore investigated whether within-pair differences in lifestyle were associated with within-pair differences in exposome profiles across four domains: the external exposome, proteome, metabolome and epigenetic age acceleration (EAA). For each domain, we assessed the similarity of co-twin profiles using Gaussian similarities in up to 257 young adult same-sex twin pairs (54% monozygotic). We additionally tested whether similarity in one domain translated into greater similarity in another. Results suggest that a lower degree of similarity in co-twins' exposome profiles was associated with greater differences in their behavior and substance use. The strongest association was identified between excessive drinking behavior and the external exposome. Overall, our study demonstrates how social behavior and especially substance use are connected to the internal and external exposomes, while controlling for familial confounders.
Interaction of chikungunya virus glycoproteins with macrophage factors controls virion production
Authors: Yao Zhenlan , Ramachandran Sangeetha , Huang Serina , Kim Erin , Jami-Alahmadi Yasaman , Kaushal Prashant , Bouhaddou Mehdi , Wohlschlegel James A , Li Melody MH
Published: September 2024

Despite their role as innate sentinels, macrophages can serve as cellular reservoirs of chikungunya virus (CHIKV), a highly-pathogenic arthropod-borne alphavirus that has caused large outbreaks among human populations. Here, with the use of viral chimeras and evolutionary selection analysis, we define CHIKV glycoproteins E1 and E2 as critical for virion production in THP-1 derived human macrophages. Through proteomic analysis and functional validation, we further identify signal peptidase complex subunit 3 (SPCS3) and eukaryotic translation initiation factor 3 subunit K (eIF3k) as E1-binding host proteins with anti-CHIKV activities. We find that E1 residue V220, which has undergone positive selection, is indispensable for CHIKV production in macrophages, as its mutation attenuates E1 interaction with the host restriction factors SPCS3 and eIF3k. Finally, we show that the antiviral activity of eIF3k is translation-independent, and that CHIKV infection promotes eIF3k translocation from the nucleus to the cytoplasm, where it associates with SPCS3. These functions of CHIKV glycoproteins late in the viral life cycle provide a new example of an intracellular evolutionary arms race with host restriction factors, as well as potential targets for therapeutic intervention.
Systematic mapping of mitochondrial calcium uniporter channel (MCUC)-mediated calcium signaling networks
Authors: Delgado de la Herran Hilda , Vecellio Reane Denis , Cheng Yiming , Katona Máté , Hosp Fabian , Greotti Elisa , Wettmarshausen Jennifer , Patron Maria , Mohr Hermine , Prudente de Mello Natalia , Chudenkova Margarita , Gorza Matteo , Walia Safal , Feng Michael Sheng-Fu , Leimpek Anja , Mielenz Dirk , Pellegata Natalia S , Langer Thomas , Hajnóczky György , Mann Matthias , Murgia Marta , Perocchi Fabiana
Published: September 2024

The mitochondrial calcium uniporter channel (MCUC) mediates mitochondrial calcium entry, regulating energy metabolism and cell death. Although several MCUC components have been identified, the molecular basis of mitochondrial calcium signaling networks and their remodeling upon changes in uniporter activity have not been assessed. Here, we map the MCUC interactome under resting conditions and upon chronic loss or gain of mitochondrial calcium uptake. We identify 89 high-confidence interactors that link MCUC to several mitochondrial complexes and pathways, half of which are associated with human disease. As a proof-of-concept, we validate the mitochondrial intermembrane space protein EFHD1 as a binding partner of the MCUC subunits MCU, EMRE, and MCUB. We further show a MICU1-dependent inhibitory effect of EFHD1 on calcium uptake. Next, we systematically survey compensatory mechanisms and functional consequences of mitochondrial calcium dyshomeostasis by analyzing the MCU interactome upon EMRE, MCUB, MICU1, or MICU2 knockdown. While silencing EMRE reduces MCU interconnectivity, MCUB loss-of-function leads to a wider interaction network. Our study provides a comprehensive and high-confidence resource to gain insights into players and mechanisms regulating mitochondrial calcium signaling and their relevance in human diseases.
A critical role for HNF4α in polymicrobial sepsis-associated metabolic reprogramming and death
Authors: Van Dender Céline , Timmermans Steven , Paakinaho Ville , Vanderhaeghen Tineke , Vandewalle Jolien , Claes Maarten , Garcia Bruno , Roman Bart , De Waele Jan , Croubels Siska , De Bosscher Karolien , Meuleman Philip , Herpain Antoine , Palvimo Jorma J , Libert Claude
Published: September 2024

In sepsis, limited food intake and increased energy expenditure induce a starvation response, which is compromised by a quick decline in the expression of hepatic PPARα, a transcription factor essential in intracellular catabolism of free fatty acids. The mechanism upstream of this PPARα downregulation is unknown. We found that sepsis causes a progressive hepatic loss-of-function of HNF4α, which has a strong impact on the expression of several important nuclear receptors, including PPARα. HNF4α depletion in hepatocytes dramatically increases sepsis lethality, steatosis, and organ damage and prevents an adequate response to IL6, which is critical for liver regeneration and survival. An HNF4α agonist protects against sepsis at all levels, irrespectively of bacterial loads, suggesting HNF4α is crucial in tolerance to sepsis. In conclusion, hepatic HNF4α activity is decreased during sepsis, causing PPARα downregulation, metabolic problems, and a disturbed IL6-mediated acute phase response. The findings provide new insights and therapeutic options in sepsis.
Improved synthesis of the unnatural base NaM, and evaluation of its orthogonality in in vitro transcription and translation
Authors: Le Anthony V. , Hartman Matthew C. T.
Published: September 2024

In vitro translation of mRNAs containing the unnatural base pair NaM reveal its orthogonality with native codons.
Yttrium-based metal–organic frameworks built on hexanuclear clusters
Authors: Li Shenfang , Shen Tao , Gao Manglai , Wang Hao
Published: September 2024

Yttrium-based metal–organic frameworks built on hexanuclear clusters (Y6-MOFs) are analogous to Zr6-MOFs, but they differ in several aspects which are important for their structural diversity and potential applications.
Microbial conversion of CO2 to organic compounds
Authors: Li Yingying , Zhang Jian , Chen Xiulai
Published: September 2024

This review comprehensively discusses microbial conversion of CO2 to organic compounds. The efficiency of CO2 fixation can be improved by mining CO2-fixing enzymes, developing CO2-fixing pathways and optimizing CO2-fixing microbial cell factories.
Understanding and applying the donor number of electrolytes in lithium metal batteries
Authors: Zhou Pan , Xiang Yong , Liu Kai
Published: September 2024

Donor number plays an essential role in deciding lithium salt solubility and the Li+ solvation structure, thus influencing the electrode interphase, reaction pathways and kinetics in lithium metal batteries.
Towards an information-based theory of structure
Authors: Hibbard Glenn D. , Çamkıran John
Published: September 2024

Extracopularity is a local structural phenomenon characterised by the occurrence of fewer different bond angles than combinatorially possible.
Biodegradable persistent ROS-generating nanosonosensitizers for enhanced synergistic cancer therapy by inducing cascaded oxidative stress
Authors: Chen Yue , Ding Tong , Qian Zhengzheng , Ma Zerui , Zhou Liming , Li Zhiling , Lv Runkai , Xu Yinghui , Xu Yingjie , Hao Linhui , Zhu Chen , Yao Xikuang , Yu Wenying , Fan Wenpei
Published: September 2024

Biodegradable CaO2@PCN nanosonosensitizers induce sustained ROS production and mitochondrial calcium homeostasis via synergistic sonodynamic/ion interference therapy, ultimately leading to cancer cell death.
Facile access to α-silylmethylamidines by BF3-catalyzed hydroamination of silylynamides with amines
Authors: Lu Fei , Li Zengzeng , Wang Yulu , Liu Guoliang , Niu Guangguo , Wang Guanghui , Zhao Ximei
Published: September 2024

A metal-free BF3-catalyzed hydroamination of silylynamides with amines is developed, allowing facile and efficient synthesis of α-silylmethylamidines in moderate to excellent yields under mild reaction conditions.
Computer-aided screening of bismuth molybdates nonlinear optical crystals γ-Bi2MoO6
Authors: Wang Xuefan , Xiao Yan , Tan Wenjing , Huang Hongbo , Yang Daqing , Wang Ying , Zhang Bingbing
Published: September 2024

γ-Bi2MoO6 exhibits a 9.9-times stronger second harmonic generation (SHG) response than that of KDP, large birefringence of 0.21 at 1064 nm, and relatively large band gap of 2.57 eV.
Rh(iii)-catalyzed regioselective C–H activation/[3 + 2] cyclization of KHAs with iodonium ylides accessing pyrimido[1,2-a]indole derivatives
Authors: Luo Qin , Qi Jin-Mei , Chen Li , Jian Cen , Zhang Cong-Hai , Yan Sheng-Jiao
Published: September 2024

We present a protocol for the regioselective construction of three kinds of functionalized pyrrole derivatives, i.e., PIIDOs 3–5 from HKAs with iodonium ylides promoted by AgSbF6vs. NaSbF6 additives in different solvents (acetone vs. DCE).
RSC Advances Outstanding Student Paper Awards 2023
Authors: Fisher Laura
Published: September 2024

We are delighted to announce the winners of the RSC Advances Outstanding Student Paper Awards 2023. These awards recognise outstanding work published in the journal, in which a substantial component of the research was conducted by a student.
Correction: Effects of alcohols as sacrificial reagents on a copper-doped sodium dititanate nanosheets/graphene oxide photocatalyst in CO2 photoreduction
Authors: Kitjanukit Nutkamol , Neamsung Wannisa , Karawek Apisit , Lertthanaphol Napat , Chongkol Napatr , Hiramatsu Koki , Sekiguchi Tomoya , Pornsuwan Soraya , Sakurai Takahiro , Jonglertjunya Woranart , Phadungbut Poomiwat , Ichihashi Yuichi , Srinives Sira
Published: September 2024

Correction for ‘Effects of alcohols as sacrificial reagents on a copper-doped sodium dititanate nanosheets/graphene oxide photocatalyst in CO2 photoreduction’ by Nutkamol Kitjanukit et al., RSC Adv., 2024, 14, 27980–27989, https://doi.org/10.1039/D4RA04585H.
π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes
Authors: Ota Seiya , Soto Miguel A. , Patrick Brian O. , Kamal Saeid , Lelj Francesco , MacLachlan Mark J.
Published: September 2024

Naphthalenyl- and anthracenylpyridine cyclometalating ligands bind to Pt in different ways, which can be used to tune their emissive properties.
Application of advanced surface modification techniques in titanium-based implants: latest strategies for enhanced antibacterial properties and osseointegration
Authors: Yuan Pingyun , Chen Mi , Lu Xiaotong , Yang Hui , Wang Lan , Bai Tian , Zhou Wenhao , Liu Tao , Yu Sen
Published: September 2024

Several major surface modification technologies for Ti-based implants.
Simultaneous achievement of high performance and low sintering temperature in ultra-high Curie temperature La2Ti2O7 ceramics by V2O5 additive
Authors: Tang Manjing , Tan Zhi , Xing Jie , Chen Ning , Chen Hao , Li Hongjiang , Zhu Jianguo
Published: September 2024

This study uses V2O5 as a sintering aid for La2Ti2O7 ceramics, lowering the sintering temperature, increasing density and resistivity, enhancing piezoelectric performance and maintaining thermal stability.
OH mid-infrared emission as a diagnostic of H2O UV photodissociation
Authors: Tabone Benoît , van Dishoeck Ewine F. , Black John H.
Published: September 2024

Context. The Mid-InfraRed Instrument (MIRI) on board the James Webb Space Telescope (JWST) gives unique access to the physical and chemical structure of inner disks (<10 au), where the majority of the planets are forming. However, the interpretation of mid-infrared (mid-IR) spectra requires detailed thermo-chemical models able to provide synthetic spectra readily comparable to spectroscopic observations. This is particularly important for OH, which can be excited by a number of processes.

Aims. Our goal is to explore the potential of mid-IR emission of OH to probe H2O photodissociation, and thus implicitly the far-ultraviolet (FUV) radiation field in the inner disks.

Methods. We include in the DALI disk model prompt emission of OH following photodissociation of H2O in its B~ electronic state by photons at λ < 144 nm. Compared with previous modeling work, we also take into account the propensity of forming OH in the A′ symmetric states. This model allows us to compute in a self-consistent manner the thermal and chemical structure of the disk and the resulting mid-IR line intensities of OH and H2O.

Results. The OH line intensities in the 9–13 μm range are proportional to the total amount of water photodissociated in the disk. As such, these OH lines are a sensitive tracer of the amount of H2O exposed to the FUV field, which depends on the temperature, density, and strength of the FUV field reaching the upper molecular layers. In particular, we show that the OH line fluxes primarily scale with the FUV field emitted by the central star in contrast with H2O lines in the 10–20 μm range which scale with the bolometric luminosity. OH is therefore an important diagnostic to probe the effect of Lyα and constrain the dust FUV opacity in upper molecular layers. A strong asymmetry between the A′ and A″ components of each rotational quadruplet is predicted.

Conclusions. OH mid-IR emission is a powerful tool to probe H2O photodissociation and infer the physical conditions in disk atmospheres. As such, the inclusion of OH mid-IR lines in the analysis of JWST-MIRI spectra will be crucial for robustly inferring the chemical composition of planet-forming disks. The interpretation of less excited OH lines in the MIRI-MRS range requires additional quantum calculations of the formation pumping of OH (ro-)vibrational levels by O+H2 and the collisional rate coefficients.
La terre crue comme alternative au béton ? Une évaluation de son impact sur le métabolisme des chantiers de BTP
Authors: Blanquart Corinne , Moesch Emmanuelle , Zeroual Thomas
Published: September 2024

Le secteur du bâtiment et des travaux publics génère un impact très élevé sur l’environnement. Il contribue notamment au réchauffement climatique et à l’épuisement des ressources. Pour faire face à ces enjeux, les aménageurs se tournent vers de nouveaux matériaux. Proposant un approvisionnement local et de faibles impacts environnementaux en phase de production, la terre crue semble être une piste intéressante. Nous souhaitons, dans cet article, évaluer les volumes de flux entrants sur la base des surfaces à construire et des typologies de bâtiments d’un terrain réel : la ZAC Sevran Terre d’avenir. L’originalité de notre travail est de proposer une estimation des quantités d’éléments constructifs en terre crue pouvant être intégrés à l’opération d’aménagement, selon plusieurs scénarios faisant varier leur taux d’utilisation.
Artificial Intelligence in neovascular age-related macular degeneration
Authors: Ferro Desideri Lorenzo , Zinkernagel Martin , Anguita Rodrigo
Published: September 2024

The integration of artificial intelligence (AI) into the management of neovascular age-related macular degeneration (nAMD) presents a transformative opportunity in ophthalmology. Specifically, deep learning (DL) models have shown remarkable accuracy in detecting nAMD, predicting disease progression, and forecasting treatment outcomes. This review provides a comprehensive analysis of current AI applications in nAMD, focusing on the performance of these models in diagnostic tasks, including classification, object detection, and segmentation, as well as their potential to outperform human experts in specific domains. The review further explores how AI-driven predictive models can personalize treatment strategies by forecasting individual responses to therapies, such as anti-VEGF, and predicting the conversion from intermediate AMD to nAMD. Despite these promising developments, significant challenges remain, including the need for extensive datasets, seamless integration into clinical workflows, and ensuring the generalizability of AI predictions across diverse populations. Continued validation and the development of user-friendly AI tools are crucial for broader adoption and improved patient outcomes. In conclusion, identifying effective pathways to overcome these challenges will be essential as the field continues to evolve.
Simulation of auto-expansion high voltage SF6 circuit breaker breaking process considering valve motion
Authors: Guo Ze , Han Weimeng , Guo Zixu , Liu Hang , Ma Chuanjun
Published: September 2024

High voltage circuit breakers are important equipment in power systems, and the valve motion of the chambers plays a role in the arc extinguishing performance of high-voltage circuit breakers. Therefore, in this paper, a 145 kV auto-expansion SF6 circuit breaker is taken as the research object, and a two-dimensional axisymmetric magnetohydrodynamic arc model considering valve motion process is established. The influence of different short circuit breaking conditions on the valve motion was studied. The results show that the backflow phenomenon of ablated steam is the main reason for the closure of the non-return valve, which plays an important role in opening the pressure relief valve. The closing time of the non-return valve is about 0.4 ms faster at a short circuit current of 40 kA than at a short circuit current of 36 kA.
Adsorption-controlled growth of homoepitaxial c-plane sapphire films
Authors: Majer Lena N. , Acartürk Tolga , van Aken Peter A. , Braun Wolfgang , Camuti Luca , Eckl-Haese Johan , Mannhart Jochen , Onuma Takeyoshi , Rabinovich Ksenia S. , Schlom Darrell G. , Smink Sander , Starke Ulrich , Steele Jacob , Vogt Patrick , Wang Hongguang , Hensling Felix V. E.
Published: September 2024

Sapphire is a technologically highly relevant material, but it poses many challenges when performing epitaxial thin-film deposition. We have identified and applied the conditions for adsorption-controlled homoepitaxial growth of c-plane sapphire. The films thus grown are atomically smooth, have a controlled termination, and are of outstanding crystallinity. Their chemical purity exceeds that of the substrates. The films exhibit exceptional optical properties, such as a single-crystal-like bandgap and a low density of F+ centers.
Comprehensive characterization of nitrogen-related defect states in β-Ga2O3 using quantitative optical and thermal defect spectroscopy methods
Authors: Ghadi Hemant , Cornuelle Evan , Mcglone Joe F. , Senckowski Alexander , Sharma Shivam , Wong Man Hoi , Singisetti Uttam , Ringel Steven A.
Published: September 2024

This study provides a comprehensive analysis of the dominant deep acceptor level in nitrogen-doped beta-phase gallium oxide (β-Ga2O3), elucidating and reconciling the hole emission features observed in deep-level optical spectroscopy (DLOS). The unique behavior of this defect, coupled with its small optical cross section, complicates trap concentration analysis using DLOS, which is essential for defect characterization in β-Ga2O3. A complex feature arises in DLOS results due to simultaneous electron emission to the conduction band and hole emission to the valence band from the same defect state, indicating the formation of two distinct atomic configurations and suggesting metastable defect characteristics. This study discusses the implications of this behavior on DLOS analysis and employs advanced spectroscopy techniques such as double-beam DLOS and optical isothermal measurements to address these complications. The double-beam DLOS method reveals a distinct hole emission process at EV+1.3 eV previously obscured in conventional DLOS. Optical isothermal measurements further characterize this energy level, appearing only in N-doped β-Ga2O3. This enables an estimate of the β-Ga2O3 hole effective mass by analyzing temperature-dependent carrier emission rates. This work highlights the impact of partial trap-filling behavior on DLOS analysis and identifies the presence of hole trapping and emission in β-Ga2O3. Although N-doping is ideal for creating semi-insulating material through the efficient compensation of free electrons, this study also reveals a significant hole emission and migration process within the weak electric fields of the Schottky diode depletion region.
Providing charge emission for cloud seeding aircraft
Authors: Harrison R. Giles , Alkamali Ahmad A. , Escobar-Ruiz Veronica , Nicoll Keri A. , Ambaum Maarten H. P.
Published: September 2024

Releasing charge into natural droplet systems such as fog and clouds offers a route to influence their properties. To facilitate charge release across a wide range of altitudes and meteorological circumstances—such as developing clouds—a charge emitter has been developed for integration with the conventional cloud-seeding flares carried by crewed cloud-seeding aircraft. This allows charge emitters to be used alongside, or instead of, conventional particle releasing flares. The charge emitter flare system is self-contained and self-powered, and includes internal monitoring and recording of its operating parameters. Using this “flare emitter” approach, successful charge emission has been demonstrated in level flight, at 3 km altitude, likely to have exceeded natural ion concentrations by several orders of magnitude. This quantitative verification of successful charge emission can underpin further physically based experiments on the effectiveness of charge release in cloud seeding.
Restoration of LAMP2A expression in old mice leads to changes in the T cell compartment that support improved immune function
Authors: Reynolds Cara A. , Pelka Sandra , Gjergjova Floralba , Tasset Inmaculada , Khawaja Rabia R. , Lindenau Kristen , Krause Gregory J. , Gavathiotis Evripidis , Cuervo Ana Maria , Macian Fernando
Published: September 2024

Chaperone-mediated autophagy (CMA) is a selective form of autophagy that contributes to the maintenance of cellular homeostasis. CMA activity declines with age in most tissues and systems, including the immune system, due to a reduction in levels of lysosome-associated membrane protein type 2A (LAMP2A), an essential CMA component. In this study, we show that overexpressing a copy of hLAMP2A within T cells since middle-age can prevent some of their age-associated loss of function. Our data support the idea that preserving LAMP2A expression with age through genetic means leads to enhanced proliferative responses, decreased number of regulatory T cell populations, and down-regulated expression of inhibitory receptors by T cells. During aging, elevated numbers of these immunosuppressive T cell populations significantly contribute to the age-associated downregulation of T cell responses. Using comparative proteomics, we confirm that preservation of CMA activity in old mice prevents age-related changes in both the resting and the activated T cell proteome. We also explore the effect of using first-in-class small molecule activators of CMA and demonstrate improved T cell response upon their administration to old mice. We conclude that sustaining CMA activity constitutes a potentially viable therapeutic approach to improving T cell function with age.
Quantitative insights into the mechanism of proton conduction and selectivity for the human voltage-gated proton channel Hv1
Authors: Liu Yu , Li Chenghan , Freites J. Alfredo , Tobias Douglas J. , Voth Gregory A.
Published: September 2024

Human voltage-gated proton (hHv1) channels are crucial for regulating essential biological processes such as immune cell respiratory burst, sperm capacitation, and cancer cell migration. Despite the significant concentration difference between protons and other ions in physiological conditions, hHv1 demonstrates remarkable proton selectivity. Our calculations of single-proton, cation, and anion permeation free energy profiles quantitatively demonstrate that the proton selectivity of the wild-type channel originates from its strong proton affinity via the titration of the key residues D112 and D174, although the channel imposes similar kinetic blocking effects for protons compared to other ions. A two-proton knock-on model is proposed to mathematically explain the electrophysiological measurements of the pH-dependent proton conductance in the conductive state. Moreover, it is shown that the anion selectivity of the D112N mutant channel is tied to impaired proton transport and substantial anion leakage.
Engaging Community Members to Pinpoint Priorities around Zoonotic Disease in Nepal
Authors: Durrance-Bagale Anna , Basnet Hari , Rudge James W , Howard Natasha
Published: September 2024

Emerging infectious diseases, mainly zoonotic in nature, represent a global threat, particularly for countries lacking in resources or effective infrastructure. There is little qualitative research investigating community awareness, priorities, perceptions and practices around zoonotic risk, and how these factors are shaped by socio-cultural contexts, in Nepal. Using interviews and photovoice, we aimed to address these knowledge gaps by examining how to most effectively engage community members and promote the co-production of community-level strategies aimed at mitigating this risk. Our findings illustrate the significance of acknowledging the multi-dimensional religious, cultural, educational, financial and social contexts in which people live, and how these influence their beliefs, needs and priorities. This project provides and develops insights, including the incorporation of indigenous languages, inclusion of community leaders, and using drama or theatre to promote messages, to inform the design and implementation of research and interventions addressing drivers of zoonotic disease risk in conjunction with, and tailored to, communities in Nepal.

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