bluuebunny/crossref_metadata_2025 huggingface dataset:
Transcriptome profiling of aerial and subterranean peanut pod development
Authors: Peng Zhenying , Jia Kai-Hua , Meng Jingjing , Wang Jianguo , Zhang Jialei , Li Xinguo , Wan Shubo
Published: April 2024

Peanut (Arachis hypogaea) showcases geocarpic behavior, transitioning from aerial flowering to subterranean seed development. We recently obtained an atavistic variant of this species, capable of producing aerial and subterranean pods on a single plant. Notably, although these pod types share similar vigor levels, they exhibit distinct differences in their physical aspects, such as pod size, color, and shell thickness. We constructed 63 RNA-sequencing datasets, comprising three biological replicates for each of 21 distinct tissues spanning six developmental stages for both pod types, providing a rich tapestry of the pod development process. This comprehensive analysis yielded an impressive 409.36 Gb of clean bases, facilitating the detection of 42,401 expressed genes. By comparing the transcriptomic data of the aerial and subterranean pods, we identified many differentially expressed genes (DEGs), highlighting their distinct developmental pathways. By providing a detailed workflow from the initial sampling to the final DEGs, this study serves as an important resource, paving the way for future research into peanut pod development and aiding transcriptome-based expression profiling and candidate gene identification.
Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules
Authors: Choi Sunho , Lee Joonbum , Seo Jangwon , Han Sung Won , Lee Sang Hyun , Seo Ji-Hun , Seok Junhee
Published: April 2024

The simplified molecular-input line-entry system (SMILES) has been utilized in a variety of artificial intelligence analyses owing to its capability of representing chemical structures using line notation. However, its ease of representation is limited, which has led to the proposal of BigSMILES as an alternative method suitable for the representation of macromolecules. Nevertheless, research on BigSMILES remains limited due to its preprocessing requirements. Thus, this study proposes a conversion workflow of BigSMILES, focusing on its automated generation from SMILES representations of homopolymers. BigSMILES representations for 4,927,181 records are provided, thereby enabling its immediate use for various research and development applications. Our study presents detailed descriptions on a validation process to ensure the accuracy, interchangeability, and robustness of the conversion. Additionally, a systematic overview of utilized codes and functions that emphasizes their relevance in the context of BigSMILES generation are produced. This advancement is anticipated to significantly aid researchers and facilitate further studies in BigSMILES representation, including potential applications in deep learning and further extension to complex structures such as copolymers.
Three de novo assembled wild cacao genomes from the Upper Amazon
Authors: Nousias Orestis , Zheng Jinfang , Li Tang , Meinhardt Lyndel W. , Bailey Bryan , Gutierrez Osman , Baruah Indrani K. , Cohen Stephen P. , Zhang Dapeng , Yin Yanbin
Published: April 2024

Theobroma cacao, the chocolate tree, is indigenous to the Amazon basin, the greatest biodiversity hotspot on earth. Recent advancement in plant genomics highlights the importance of de novo sequencing of multiple reference genomes to capture the genome diversity present in different cacao populations. In this study, three high-quality chromosome-level genomes of wild cacao were constructed, de novo assembled with HiFi long reads sequencing, and scaffolded using a reference-free strategy. These genomes represent the three most important genetic clusters of cacao trees from the Upper Amazon region. The three wild cacao genomes were compared with two reference genomes of domesticated cacao. The five cacao genetic clusters were inferred to have diverged in the early and middle Pleistocene period, approximately 1.83–0.69 million years ago. The results shown here serve as an example of understanding how the Amazonian biodiversity was developed. The three wild cacao genomes provide valuable resources for studying genetic diversity and advancing genetic improvement of this species.
AI and narrative embeddings detect PTSD following childbirth via birth stories
Authors: Bartal Alon , Jagodnik Kathleen M. , Chan Sabrina J. , Dekel Sharon
Published: April 2024

Free-text analysis using machine learning (ML)-based natural language processing (NLP) shows promise for diagnosing psychiatric conditions. Chat Generative Pre-trained Transformer (ChatGPT) has demonstrated preliminary initial feasibility for this purpose; however, whether it can accurately assess mental illness remains to be determined. This study evaluates the effectiveness of ChatGPT and the text-embedding-ada-002 (ADA) model in detecting post-traumatic stress disorder following childbirth (CB-PTSD), a maternal postpartum mental illness affecting millions of women annually, with no standard screening protocol. Using a sample of 1295 women who gave birth in the last six months and were 18+ years old, recruited through hospital announcements, social media, and professional organizations, we explore ChatGPT’s and ADA’s potential to screen for CB-PTSD by analyzing maternal childbirth narratives. The PTSD Checklist for DSM-5 (PCL-5; cutoff 31) was used to assess CB-PTSD. By developing an ML model that utilizes numerical vector representation of the ADA model, we identify CB-PTSD via narrative classification. Our model outperformed (F1 score: 0.81) ChatGPT and six previously published large text-embedding models trained on mental health or clinical domains data, suggesting that the ADA model can be harnessed to identify CB-PTSD. Our modeling approach could be generalized to assess other mental health disorders.
Mitochondrial Ca2+ signaling is a hallmark of specific adipose tissue-cancer crosstalk
Authors: De Mario Agnese , Trevellin Elisabetta , Piazza Ilaria , Vindigni Vincenzo , Foletto Mirto , Rizzuto Rosario , Vettor Roberto , Mammucari Cristina
Published: April 2024

Obesity is associated with increased risk and worse prognosis of many tumours including those of the breast and of the esophagus. Adipokines released from the peritumoural adipose tissue promote the metastatic potential of cancer cells, suggesting the existence of a crosstalk between the adipose tissue and the surrounding tumour. Mitochondrial Ca2+signaling contributes to the progression of carcinoma of different origins. However, whether adipocyte-derived factors modulate mitochondrial Ca2+signaling in tumours is unknown. Here, we show that conditioned media derived from adipose tissue cultures (ADCM) enriched in precursor cells impinge on mitochondrial Ca2+homeostasis of target cells. Moreover, in modulating mitochondrial Ca2+responses, a univocal crosstalk exists between visceral adipose tissue-derived preadipocytes and esophageal cancer cells, and between subcutaneous adipose tissue-derived preadipocytes and triple-negative breast cancer cells. An unbiased metabolomic analysis of ADCM identified creatine and creatinine for their ability to modulate mitochondrial Ca2+uptake, migration and proliferation of esophageal and breast tumour cells, respectively.
Effects of foetal size, sex and developmental stage on adaptive transcriptional responses of skeletal muscle to intrauterine growth restriction in pigs
Authors: Cortes-Araya Y. , Cheung S. , Ho W. , Stenhouse C. , Ashworth C. J. , Esteves C. L. , Donadeu F. X.
Published: April 2024

Intrauterine growth restriction (IUGR) occurs both in humans and domestic species. It has a particularly high incidence in pigs, and is a leading cause of neonatal morbidity and mortality as well as impaired postnatal growth. A key feature of IUGR is impaired muscle development, resulting in decreased meat quality. Understanding the developmental origins of IUGR, particularly at the molecular level, is important for developing effective strategies to mitigate its economic impact on the pig industry and animal welfare. The aim of this study was to characterise transcriptional profiles in the muscle of growth restricted pig foetuses at different gestational days (GD; gestational length ~ 115 days), focusing on selected genes (related to development, tissue injury and metabolism) that were previously identified as dysregulated in muscle of GD90 fetuses. Muscle samples were collected from the lightest foetus (L) and the sex-matched foetus with weight closest to the litter average (AW) from each of 22 Landrace x Large White litters corresponding to GD45 (n = 6), GD60 (n = 8) or GD90 (n = 8), followed by analyses, using RT-PCR and protein immunohistochemistry, of selected gene targets. Expression of the developmental genes, MYOD, RET and ACTN3 were markedly lower, whereas MSTN expression was higher, in the muscle of L relative to AW littermates beginning on GD45. Levels of all tissue injury-associated transcripts analysed (F5, PLG, KNG1, SELL, CCL16) were increased in L muscle on GD60 and, most prominently, on GD90. Among genes involved in metabolic regulation, KLB was expressed at higher levels in L than AW littermates beginning on GD60, whereas both IGFBP1 and AHSG were higher in L littermates on GD90 but only in males. Furthermore, the expression of genes specifically involved in lipid, hexose sugar or iron metabolism increased or, in the case of UCP3, decreased in L littermates on GD60 (UCP3, APOB, ALDOB) or GD90 (PNPLA3, TF), albeit in the case of ALDOB this only involved females. In conclusion, marked dysregulation of genes with critical roles in development in L foetuses can be observed from GD45, whereas for a majority of transcripts associated with tissue injury and metabolism differences between L and AW foetuses were apparent by GD60 or only at GD90, thus identifying different developmental windows for different types of adaptive responses to IUGR in the muscle of porcine foetuses.
Gut-associated microbes are present and active in the pig nasal cavity
Authors: Obregon-Gutierrez Pau , Bonillo-Lopez Laura , Correa-Fiz Florencia , Sibila Marina , Segalés Joaquim , Kochanowski Karl , Aragon Virginia
Published: April 2024

The nasal microbiota is a key contributor to animal health, and characterizing the nasal microbiota composition is an important step towards elucidating the role of its different members. Efforts to characterize the nasal microbiota composition of domestic pigs and other farm animals frequently report the presence of bacteria that are typically found in the gut, including many anaerobes from the Bacteroidales and Clostridiales orders. However, the in vivo role of these gut-microbiota associated taxa is currently unclear. Here, we tackled this issue by examining the prevalence, origin, and activity of these taxa in the nasal microbiota of piglets. First, analysis of the nasal microbiota of farm piglets sampled in this study, as well as various publicly available data sets, revealed that gut-microbiota associated taxa indeed constitute a substantial fraction of the pig nasal microbiota that is highly variable across individual animals. Second, comparison of herd-matched nasal and rectal samples at amplicon sequencing variant (ASV) level showed that these taxa are largely shared in the nasal and rectal microbiota, suggesting a common origin driven presumably by the transfer of fecal matter. Third, surgical sampling of the inner nasal tract showed that gut-microbiota associated taxa are found throughout the nasal cavity, indicating that these taxa do not stem from contaminations introduced during sampling with conventional nasal swabs. Finally, analysis of cDNA from the 16S rRNA gene in these nasal samples indicated that gut-microbiota associated taxa are indeed active in the pig nasal cavity. This study shows that gut-microbiota associated taxa are not only present, but also active, in the nasal cavity of domestic pigs, and paves the way for future efforts to elucidate the function of these taxa within the nasal microbiota.
Hypoxia enhances autophagy level of human sperms
Authors: Hu Jie , Wu Jiwei , Liu Xinge , Zhang Yan , Mo Linfeng , Liu Liangzhao , Liu Shengxue , Ou Chaoyan , He Yonghua
Published: April 2024

The relationship between oxygen sensing and autophagy in human sperms was explored in this study. Health semen and asthenozoospermia (astheno) semen were incubated with hypoxia-inducible factor-1α (HIF-1α) interferents, i.e., lificiguat (YC-1) or cobalt chloride (CoCl2), respectively. Label-free quantitative proteomic technology was used to identify the differentially expressed proteins in human semen under the hypoxia condition. Selected proteins were detected with ELISA. It was found that the autophagy levels of sperm in the YC-1 + health group or CoCl2 + astheno group increased while the vitality decreased. A total of 17, 34 and 35 differentially expressed proteins were observed in the Astheno group, the YC-1 + health group and the CoCl2 + astheno group, respectively. These proteins were primarily associated with protein processing in endoplasmic reticulum, Th17 cell differentiation, progesterone-mediated oocyte maturation, glycolysis/gluconeogenesis, HIF-1 signaling pathway, biosynthesis of amino acids, and carbon metabolism. The expression levels of protein HIF-1α, LC3B, histone H4, cathepsin L and ENO1 changed significantly in the groups. The study suggests that hypoxia can increase sperm autophagy level and reduce their vitality through HIF-1 signaling pathway and glycolysis/gluconeogenesis signaling pathway. Furthermore, proteins histone H4, cathepsin L, glutathione synthetase and ENO1 are proposed as potential biomarkers of autophagy and vitality in asthenozoospermia sperm.
Whole-heart electromechanical simulations using Latent Neural Ordinary Differential Equations
Authors: Salvador Matteo , Strocchi Marina , Regazzoni Francesco , Augustin Christoph M. , Dede’ Luca , Niederer Steven A. , Quarteroni Alfio
Published: April 2024

Cardiac digital twins provide a physics and physiology informed framework to deliver personalized medicine. However, high-fidelity multi-scale cardiac models remain a barrier to adoption due to their extensive computational costs. Artificial Intelligence-based methods can make the creation of fast and accurate whole-heart digital twins feasible. We use Latent Neural Ordinary Differential Equations (LNODEs) to learn the pressure-volume dynamics of a heart failure patient. Our surrogate model is trained from 400 simulations while accounting for 43 parameters describing cell-to-organ cardiac electromechanics and cardiovascular hemodynamics. LNODEs provide a compact representation of the 3D-0D model in a latent space by means of an Artificial Neural Network that retains only 3 hidden layers with 13 neurons per layer and allows for numerical simulations of cardiac function on a single processor. We employ LNODEs to perform global sensitivity analysis and parameter estimation with uncertainty quantification in 3 hours of computations, still on a single processor.
A unified analysis of evolutionary and population constraint in protein domains highlights structural features and pathogenic sites
Authors: MacGowan Stuart A. , Madeira Fábio , Britto-Borges Thiago , Barton Geoffrey J.
Published: April 2024

Protein evolution is constrained by structure and function, creating patterns in residue conservation that are routinely exploited to predict structure and other features. Similar constraints should affect variation across individuals, but it is only with the growth of human population sequencing that this has been tested at scale. Now, human population constraint has established applications in pathogenicity prediction, but it has not yet been explored for structural inference. Here, we map 2.4 million population variants to 5885 protein families and quantify residue-level constraint with a new Missense Enrichment Score (MES). Analysis of 61,214 structures from the PDB spanning 3661 families shows that missense depleted sites are enriched in buried residues or those involved in small-molecule or protein binding. MES is complementary to evolutionary conservation and a combined analysis allows a new classification of residues according to a conservation plane. This approach finds functional residues that are evolutionarily diverse, which can be related to specificity, as well as family-wide conserved sites that are critical for folding or function. We also find a possible contrast between lethal and non-lethal pathogenic sites, and a surprising clinical variant hot spot at a subset of missense enriched positions.
Glutamate production from aerial nitrogen using the nitrogen-fixing bacterium Klebsiella oxytoca
Authors: Yoshidome Daisuke , Hidaka Makoto , Miyanaga Toka , Ito Yusuke , Kosono Saori , Nishiyama Makoto
Published: April 2024

Glutamate is an essential biological compound produced for various therapeutic and nutritional applications. The current glutamate production process requires a large amount of ammonium, which is generated through the energy-consuming and CO2-emitting Haber–Bosch process; therefore, the development of bio-economical glutamate production processes is required. We herein developed a strategy for glutamate production from aerial nitrogen using the nitrogen-fixing bacterium Klebsiella oxytoca. We showed that a simultaneous supply of glucose and citrate as carbon sources enhanced the nitrogenase activity of K. oxytoca. In the presence of glucose and citrate, K. oxytoca strain that was genetically engineered to increase the supply of 2-oxoglutarate, a precursor of glutamate synthesis, produced glutamate extracellularly more than 1 g L−1 from aerial nitrogen. This strategy offers a sustainable and eco-friendly manufacturing process to produce various nitrogen-containing compounds using aerial nitrogen.
The risk of concurrent heatwaves and extreme sea levels along the global coastline is increasing
Authors: Zhou Mo , Wang Shuo
Published: April 2024

Concurrent heatwaves and extreme sea levels could pose a serious threat to coastal communities under climate change; however, the spatiotemporal characteristics and dynamic evolution of them along global coastline remain poorly understood. Here, we use reanalysis datasets and model projections to assess historical and future changes in global concurrent heatwaves and extreme sea levels. We find that 87.73% of coastlines experienced such concurrent extremes during 1979–2017. There is an average increase of 3.72 days in the occurrence during 1998–2017 compared to 1979–1998. A one-percentile increase in heatwave intensity is associated with a 2.07% increase in the likelihood of concurrent extremes. Global coastlines are projected to experience 38 days of concurrent extremes each year during 2025–2049 under the highest emission scenario. The weakening of geopotential height associated with a surface low-pressure system may serve as an important indicator for the occurrence of extreme sea levels during heatwaves.
The conservation value of forests can be predicted at the scale of 1 hectare
Authors: Bubnicki Jakub W. , Angelstam Per , Mikusiński Grzegorz , Svensson Johan , Jonsson Bengt Gunnar
Published: April 2024

To conserve biodiversity, it is imperative to maintain and restore sufficient amounts of functional habitat networks. Therefore, the location of the remaining forests with natural structures and processes over landscapes and large regions is a key objective. Here we integrated machine learning (Random Forest) and open landscape data to scan all forest landscapes in Sweden with a 1 ha spatial resolution with respect to the relative likelihood of hosting High Conservation Value Forests. Using independent spatial stand- and plot-level validation data, we confirmed that our predictions correctly represent different levels of forest naturalness, from degraded to those with high and associated biodiversity conservation values. Given ambitious national and international conservation objectives and increasingly intensive forestry, our model and the resulting wall-to-wall mapping fill an urgent gap for assessing the achievement of evidence-based conservation targets, spatial planning, and designing forest landscape restoration.
Large spread in marine heatwave assessments for Asia and the Indo-Pacific between sea-surface-temperature products
Authors: Zhang Xuewei , Zhao Ning , Han Zhen , Dai Zhijun
Published: April 2024

Prolonged extremely warm ocean temperatures have great impacts on both natural ecosystems and human communities. These phenomena (i.e., marine heatwaves) could be easily monitored globally by satellite-based sea surface temperatures; however, the choice of datasets may lead to potential uncertainties in the marine heatwave assessment. Here we compared the marine heatwaves using three commonly used satellite products to illustrate the uncertainties over Asia and the Indo-Pacific. Distinct differences were found in the occurrence, duration, and long-term trend of marine heatwaves over both coastal and open oceans, while some discrepancies could become comparable with the obtained metrics themselves. Although differences in mean sea surface temperatures or their variances among datasets could not explain the abovementioned discrepancies, different sensors, procedures, and sea ice treatments in each dataset may contribute partially. Overall, our study suggests that the use of multiple datasets is crucial for evaluations of extreme events.
Reporting guidelines in medical artificial intelligence: a systematic review and meta-analysis
Authors: Kolbinger Fiona R. , Veldhuizen Gregory P. , Zhu Jiefu , Truhn Daniel , Kather Jakob Nikolas
Published: April 2024

Background

The field of Artificial Intelligence (AI) holds transformative potential in medicine. However, the lack of universal reporting guidelines poses challenges in ensuring the validity and reproducibility of published research studies in this field.

Methods

Based on a systematic review of academic publications and reporting standards demanded by both international consortia and regulatory stakeholders as well as leading journals in the fields of medicine and medical informatics, 26 reporting guidelines published between 2009 and 2023 were included in this analysis. Guidelines were stratified by breadth (general or specific to medical fields), underlying consensus quality, and target research phase (preclinical, translational, clinical) and subsequently analyzed regarding the overlap and variations in guideline items.

Results

AI reporting guidelines for medical research vary with respect to the quality of the underlying consensus process, breadth, and target research phase. Some guideline items such as reporting of study design and model performance recur across guidelines, whereas other items are specific to particular fields and research stages.

Conclusions

Our analysis highlights the importance of reporting guidelines in clinical AI research and underscores the need for common standards that address the identified variations and gaps in current guidelines. Overall, this comprehensive overview could help researchers and public stakeholders reinforce quality standards for increased reliability, reproducibility, clinical validity, and public trust in AI research in healthcare. This could facilitate the safe, effective, and ethical translation of AI methods into clinical applications that will ultimately improve patient outcomes.
Characterizing changes in transcriptome and kinome responses in testicular cells during infection by Ebola virus
Authors: Webb Andrew L. , Schindell Brayden G. , Soule Geoff , Siddik Abu B. , Abrenica Bernard , Memon Harram , Su Ruey-Chyi , Safronetz David , Kindrachuk Jason
Published: April 2024

Ebola virus (EBOV) is able to persist and actively replicate in the reproductive tract of male disease survivors months or years after recovery from Ebola virus disease (EVD)1. Persistent EBOV infections are usually asymptomatic and can be transmitted sexually, but the host and viral factors that mediate these infections have not been characterized2,3. We investigated the interaction between host and viral factors during EBOV infection of the blood testis barrier (BTB), with a focus on Sertoli cells as a potential reservoir for viral persistence. We assessed viral replication kinetics and host responses of mouse testicular Leydig cells and Sertoli cells infected with EBOV Makona (i.e. infectious EBOV) and collected samples up to 28 days post-infection. Viral replication was apparent in both cell lines, but intracellular early viral loads were much higher in Leydig cells compared to Sertoli cells. We used RNAseq analysis to characterize transcriptomic responses of Leydig cells and Sertoli cells to EBOV infection over time. Further investigation of early interactions between host cells and EBOV was performed using virus-like particles (EBOV trVLP) and assays of phosphorylation-based cell signaling. Our findings indicate that virus-treated Sertoli cells responded more rapidly and robustly than Leydig cells, and with a particular emphasis on detection of, and response to, external stimuli. We discuss how the roles played by Sertoli cells in immune privilege and spermatogenesis may affect their initial and continued response to EBOV infection in a manner that could facilitate asymptomatic persistence.
Accelerated plasma-cell differentiation in Bach2-deficient mouse B cells is caused by altered IRF4 functions
Authors: Ochiai Kyoko , Shima Hiroki , Tamahara Toru , Sugie Nao , Funayama Ryo , Nakayama Keiko , Kurosaki Tomohiro , Igarashi Kazuhiko
Published: April 2024

Transcription factors BACH2 and IRF4 are both essential for antibody class-switch recombination (CSR) in activated B lymphocytes, while they oppositely regulate the differentiation of plasma cells (PCs). Here, we investigated how BACH2 and IRF4 interact during CSR and plasma-cell differentiation. We found that BACH2 organizes heterochromatin formation of target gene loci in mouse splenic B cells, including targets of IRF4 activation such as Aicda, an inducer of CSR, and Prdm1, a master plasma-cell regulator. Release of these gene loci from heterochromatin in response to B-cell receptor stimulation was coupled to AKT-mTOR pathway activation. In Bach2-deficient B cells, PC genes’ activation depended on IRF4 protein accumulation, without an increase in Irf4 mRNA. Mechanistically, a PU.1-IRF4 heterodimer in activated B cells promoted BACH2 function by inducing gene expression of Bach2 and Pten, a negative regulator of AKT signaling. Elevated AKT activity in Bach2-deficient B cells resulted in IRF4 protein accumulation. Thus, BACH2 and IRF4 mutually modulate the activity of each other, and BACH2 inhibits PC differentiation by both the repression of PC genes and the restriction of IRF4 protein accumulation.
TEAD2 initiates ground-state pluripotency by mediating chromatin looping
Authors: Guo Rong , Dong Xiaotao , Chen Feng , Ji Tianrong , He Qiannan , Zhang Jie , Sheng Yingliang , Liu Yanjiang , Yang Shengxiong , Liang Weifang , Song Yawei , Fang Ke , Zhang Lingling , Hu Gongcheng , Yao Hongjie
Published: April 2024

The transition of mouse embryonic stem cells (ESCs) between serum/LIF and 2i(MEK and GSK3 kinase inhibitor)/LIF culture conditions serves as a valuable model for exploring the mechanisms underlying ground and confused pluripotent states. Regulatory networks comprising core and ancillary pluripotency factors drive the gene expression programs defining stable naïve pluripotency. In our study, we systematically screened factors essential for ESC pluripotency, identifying TEAD2 as an ancillary factor maintaining ground-state pluripotency in 2i/LIF ESCs and facilitating the transition from serum/LIF to 2i/LIF ESCs. TEAD2 exhibits increased binding to chromatin in 2i/LIF ESCs, targeting active chromatin regions to regulate the expression of 2i-specific genes. In addition, TEAD2 facilitates the expression of 2i-specific genes by mediating enhancer-promoter interactions during the serum/LIF to 2i/LIF transition. Notably, deletion of Tead2 results in reduction of a specific set of enhancer-promoter interactions without significantly affecting binding of chromatin architecture proteins, CCCTC-binding factor (CTCF), and Yin Yang 1 (YY1). In summary, our findings highlight a novel prominent role of TEAD2 in orchestrating higher-order chromatin structures of 2i-specific genes to sustain ground-state pluripotency.
High-performance (Al0.4Ga0.6)2O3/Al0.32Ga0.68N-based UVC/UVB tunable dual-band photodetectors
Authors: Wu Siyu , Wu Zhengyuan , Tian Pengfei , Hoo Jason , Guo Shiping , Fang Zhilai
Published: April 2024

Photodetectors fabricated from the (Al0.4Ga0.6)2O3/Al0.32Ga0.68N films manifest UVC (200 nm)/UVB (305 nm) tunable dual-band photodetection at 10–25 V and promising responsivity (0.35 A W−1) under 200 nm light illumination at 25 V.
Homeotropic orientation of an ion-channel forming mesophase induced by nanotemplate wetting
Authors: Hernandez Jaime J. , Anokhin Denis V. , Rosenthal Martin , Zhu Xiaomin , Ivanov Dimitri A.
Published: April 2024

When embedded in anodic aluminum oxide (AAO) membranes, columns of an ion-channel-forming columnar mesophase align parallel to the pore axis, enhancing conductivity compared to isotropic samples.
Advances in morphology-controlled alumina and its supported Pd catalysts: synthesis and applications
Authors: Yang Yanpeng , Miao Chenglin , Wang Ruoyu , Zhang Rongxin , Li Xiaoyu , Wang Jieguang , Wang Xi , Yao Jiannian
Published: April 2024

This review highlights the preparation and regulation strategies of alumina materials from different dimensions and summarizes the preparation, metal–support interaction, and application of Pd/Al2O3 catalysts on important industrial catalysis.
Mechanistic investigation of the photocatalytic activity of PEDOT for aqueous contaminant removal: the role of iron and hydroxyl radicals
Authors: Jasemizad Tahereh , Malmström Jenny , Padhye Lokesh P.
Published: April 2024

Conducting polymers can be used as photocatalysts for aqueous contaminant remediation; however, if prepared using an iron source as an oxidant and/or dopant, they may suffer from leaching of iron during photocatalysis and misinterpretation of the results.
Impact of organic phosphates on the structure and composition of short-range ordered iron nanophases
Authors: Chen Zhengzheng , Perez Jeffrey Paulo H. , Smales Glen J. , Blukis Roberts , Pauw Brian R. , Stammeier Jessica A. , Radnik Jörg , Smith Andrew J. , Benning Liane G.
Published: April 2024

Organic phosphates (OP) are important nutrient components for living cells in natural environments, where they readily interact with ubiquitous iron phases such as hydrous ferric oxide, ferrihydrite (FHY).
Iodine passivation facilitates on-surface synthesis of robust regular conjugated two-dimensional organogold networks on Au(111)
Authors: Badami-Behjat Arash , Galeotti Gianluca , Gutzler Rico , Pastoetter Dominik L. , Heckl Wolfgang M. , Feng Xinliang , Lackinger Markus
Published: April 2024

Regular and robust 2D conjugated organogold networks with anthra-tetrathiophene repeat units are synthesized by debrominative coupling on iodine-passivated Au(111). Dynamic error correction becomes feasibly through iodine-induced bond reversibility.
Aggregation-induced emission-active azines for chemosensing applications: a five-year update
Authors: Bhosle Akhil A. , Banerjee Mainak , Chatterjee Amrita
Published: April 2024

This comprehensive review encapsulates the current literature on chemosensing applications of aggregation-induced-emission (AIE)-active azines including various metal ions, anions, small molecules, bio-analytes.
Enhanced bifunctional electrocatalytic activities of hybrid Co(OH)2/MOF-derived materials for green hydrogen production by electrochemical water splitting
Authors: Borah Apurba , Sumit  , Palaniyappan Sathishkumar , Rajeshkhanna Gaddam
Published: April 2024

Three alkaline electrolyzers with Co3O4@NF and Co3S4@NF were fabricated for sustainable green H2 production. The electrode materials demonstrated excellent performance in the OER, HER, and overall water splitting, coupled with robust durability.
Origin of sputter damage during transparent conductive oxide deposition for semitransparent perovskite solar cells
Authors: Yang Qing , Duan Weiyuan , Eberst Alexander , Klingebiel Benjamin , Wang Yueming , Kulkarni Ashish , Lambertz Andreas , Bittkau Karsten , Zhang Yongqiang , Vitusevich Svetlana , Rau Uwe , Kirchartz Thomas , Ding Kaining
Published: April 2024

The origin of sputter damage during transparent conductive oxide deposition is ion bombardment rather than plasma radiation. Ion bombardment increased recombination, whereas plasma radiation reduced recombination.
Tannic acid–poloxamer self-assembled nanoparticles for advanced atherosclerosis therapy by regulation of macrophage polarization
Authors: Wu Haoguang , Sheng Jie , Wang Zhiyue , Zu Ziyue , Xiang Kaiyan , Qi Jianchen , Wang Zhicheng , Lu Guangming , Zhang Longjiang
Published: April 2024

The comprehensive antiatherosclerosis effects of TPNP include reducing ROS production and regulating the phenotypic polarization of macrophages.
A rapid and sensitive aptamer-based biosensor for beta-lactoglobulin in milk
Authors: Liu Anqi , Jiang Meng , Wu Yuyin , Guo Han , Kong Ling , Chen Zhiwei , Luo Zhaofeng
Published: April 2024

Beta-lactoglobulin (β-Lg), a prominent milk protein, is a major contributor to milk allergies.
Correction: Modified minimal-size fragments of heparan sulfate as inhibitors of endosulfatase-2 (Sulf-2)
Authors: Kennett Alice , Epple Sven , van der Valk Gabriella , Georgiou Irene , Gout Evelyne , Vivès Romain R. , Russell Angela J.
Published: April 2024

Correction for ‘Modified minimal-size fragments of heparan sulfate as inhibitors of endosulfatase-2 (Sulf-2)’ by Alice Kennett et al., Chem. Commun., 2024, 60, 436–439, https://doi.org/10.1039/D3CC02565A.
Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems
Authors: Igoa Saldaña Fernando , López Agustín , González-Platas Javier , Suescun Leopoldo , Kremer Carlos , Torres Julia
Published: April 2024

Unprecedented expanded isomerism in porous heteronuclear compounds built from a flexible oxydiacetato ligand, lanthanide ions and cobalt(ii) comprising 16 new compounds categorized into two different structural arrays.
OH-Formation following vibrationally induced reaction dynamics of H2COO
Authors: Song Kaisheng , Upadhyay Meenu , Meuwly Markus
Published: April 2024

The reaction dynamics of H2COO to form HCOOH and dioxirane as first steps for OH-elimination are quantitatively investigated.
Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes
Authors: Wang Xiaobai , Rüttger Franziska , Kretsch Johannes , Kreyenschmidt Anne , Herbst-Irmer Regine , Stalke Dietmar
Published: April 2024

The Box (bis-(benzoxazol-2-yl)-methane) based borane compound [({NCOC6H4}2CH)BH2] and the related haloboranes were successfully synthesised and characterised by single crystal X-ray diffraction and in solution by NMR techniques.
Antiferromagnetism and insulator-metal transition of alkali metal-loaded sodalite
Authors: Nakano Takehito , Watanabe Kunihiro , Hanazawa Atsufumi , Ishida Yuko , Tanibe Kenji , Sakon Ryosuke
Published: April 2024

Magnetic phase diagram of alkali metal-loaded sodalite. The antiferromagnetic transition temperature TN changes systematically with the alkali species of the clusters formed in the cages.
Self-reducing precursors for aluminium metal thin films: evaluation of stable aluminium hydrides for vapor phase aluminium deposition
Authors: Huster Niklas , Mullins Rita , Nolan Michael , Devi Anjana
Published: April 2024

Aluminium hydride based complexes were synthesized and characterised with the scope of employing them as Al precursors in chemical vapor deposition processes that was suppored by DFT calculations.
A reduced polyoxometalate-encapsulated organo cobalt modified phosphate framework for improving photocatalytic reduction of CO2
Authors: Zhu Yinhua , Yan Pinfang , Xu Lingtong , Du Zeyu , Mei Hua , Xu Yan
Published: April 2024

An innovative polyoxometalate-based cobalt-modified organophosphate framework was synthesized and applied for CO2 reduction for a high selectivity of 94.5% and an ultra-high CO production rate of 13 676 μmol g−1h−1 in photocatalytic investigations.
Orbital optimisation in xTC transcorrelated methods
Authors: Kats Daniel , Christlmaier Evelin M. C. , Schraivogel Thomas , Alavi Ali
Published: April 2024

We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation.
Eicosapentaenoic acid activates the P62/KEAP1/NRF2 pathway for the prevention of diabetes-associated cognitive dysfunction
Authors: Tian Ao , Zheng Yan , Li Hui , Zhang Zhiyue , Du Lei , Huang Xiaoli , Sun Lei , Wu Hao
Published: April 2024

Microglia were activated under diabetic conditions, causing hippocampal neuron injury. EPA inhibited microglia activation possibly through modulation of the P62/KEAP1/NRF2 antioxidant signaling pathway.
Efficient regioselective enzymatic acylation of troxerutin: difference characterization of in vitro cellular uptake and cytotoxicity
Authors: Hao Li-sha , Zhang Meng-meng , Li Xiao-Feng , Xin Xuan , Zhao Guang-lei
Published: April 2024

Multi-site acylation of troxerutin can solve the problems of cytotoxicity and rapid hydrolysis of ester bonds caused by mono-acylation and increase cellular uptake.
A thermodynamically favorable route to the synthesis of nanoporous graphene templated on CaO via chemical vapor deposition
Authors: Pirabul Kritin , Zhao Qi , Sunahiro Shogo , Pan Zheng-Ze , Yoshii Takeharu , Hayasaka Yuichiro , Hoi-Sing Pang Eddie , Crespo-Otero Rachel , Di Tommaso Devis , Kyotani Takashi , Nishihara Hirotomo
Published: April 2024

Efficient CaO-catalyzed conversion of CH4 to graphene via CVD demonstrates a sustainable, cost-effective approach for nanoporous graphene synthesis.
A three-dimensional ZnO/TUD-1 nanocomposite-based multifunctional sensor for humidity detection and wastewater remediation
Authors: Boora Aryan , Duhan Surender , Rohilla Bhavna , Malik Priya , Sehrawat Supriya , Goyat M. S. , Mishra Yogendra Kumar , Kumar Vinod
Published: April 2024

Pictorial representation of the nanocomposites prepared and the experimental work performed.
Influence of the secondary ligand, phenanthroline, on the antioxidant and pro-oxidant and cytotoxic effects of the oxidovanadium(iv)/naringin complex
Authors: Restrepo Andrés G. , Huamani Angel L. , Velásquez Bravo Alexandra , González Pablo J. , Naso Luciana G. , Ferrer Evelina G. , Williams Patricia A. M.
Published: April 2024

Replacement of phen in [VO(Narg)2] induces greater π electronic delocalization, thus improving antioxidant action. However, due to its lipophilic character, cellular uptake of V is increased, leading to enhanced pro-oxidant and anticancer effects.
In situ carbonization metamorphoses porous silica particles into biodegradable therapeutic carriers of lesser consequence on TGF-β1 mediated fibrosis
Authors: Dohare Akanksha , Chatterjee Niranjan , Misra Santosh K.
Published: April 2024

This work reveals the strategy of in situ carbonization and biological application of carbonized porous silica particles (Si-P-CNPs) which improved the biodegradability and lesser fibrosis induction, demonstrating the importance of this process.
Self-brushing for nanopatterning: achieving perpendicular domain orientation in block copolymer thin films
Authors: Feng Hongbo , Chen Wen , Craig Gordon S. W. , Rowan Stuart J. , Nealey Paul F.
Published: April 2024

The self-brushing capability of block copolymers enables perpendicular thin film assembly on various substrates without the need for additional coatings.
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Authors: Ohira Kazuki , Kozuka Kumpei , Kaneda Naoki , Yamamoto Masahiro , Imato Keiichi , Ooyama Yousuke
Published: April 2024

It was found that phenazine-2,3-diol derivatives exhibit photochromism through excited state intermolecular proton transfer (ESInterPT) processes based on keto–enol tautomerization.
Mechanism of cationic ring-opening polymerisation of ε-caprolactone using metallocene/borate catalytic systems: a DFT and NCI study on chain initiation, propagation and termination
Authors: Meelua Wijitra , Linnolahti Mikko , Jitonnom Jitrayut
Published: April 2024

DFT and NCI studies provide a detailed mechanism of cationic ROP of ε-caprolactone by metallocene/borate catalysts and capture weak interactions at the contacts between the borate counteranions and the cationic species.
Constitutional adaptation to pKa modulation by remote ester hydrolysis
Authors: Esteve Ferran , Rieu Tanguy , Lehn Jean-Marie
Published: April 2024

Dynamic Covalent Libraries (DCvLs) evolve towards “simplexity” in response to a remote ester hydrolysis triggered by the environment, allowing for the emergence of complex behaviours like transient chirality, sorting and micelle formation.
Controlling the regioselectivity of the bromolactonization reaction in HFIP
Authors: To Tuong Anh , Phan Nhu T. A. , Mai Binh Khanh , Nguyen Thanh Vinh
Published: April 2024

Experimental and computational studies revealed the crucial role of HFIP in regioselectivity-switchable bromolactonization reactions, with the formation of endo-products under kinetic control and exo-products under thermodynamic control.
Plant-on-a-chip: continuous, soilless electrochemical monitoring of salt uptake and tolerance among different genotypes of tomato
Authors: Coatsworth Philip , Cotur Yasin , Asfour Tarek , Zhou Zihao , Flauzino José M. R. , Bozkurt Tolga , Güder Firat
Published: April 2024

An electrochemical sensing platform demonstrates the difference in NaCl uptake between salt-resistant and tolerant varieties of tomato and wild tomato seedlings.
A sensitive paper-based sensor for fluoride detection in water using Tb3+ photoluminescence
Authors: Chaturvedi Pankaj Kumar , Maitra Uday
Published: April 2024

This work highlights the development of a sensitive paper-based sensor for fluoride detection in water using Tb3+ photoluminescence, harnessing the “antennae” effect of the sensitizer moiety in the terbium-cholate gel matrix.
Data-driven discovery of carbonyl organic electrode molecules: machine learning and experiment
Authors: Du Jiayi , Guo Jun , Sun Qiqi , Liu Wei , Liu Tong , Huang Gang , Zhang Xinbo
Published: April 2024

In this work, a universal strategy for the identification of high-performance OEMs for LIBs has been illustrated. The predicted molecule, naphthalene-1,4,5,8-tetraone, exhibits excellent electrochemical performance in terms of capacity and lifetime.
A full metal-free flexible ammonium-ion battery with biodegradable hydrogel electrolyte
Authors: Paudel Abhishek , Crum Ajalynn N. , Wang Ying
Published: April 2024

In this work, a full flexible metal-free battery is developed using a QSS hydrogel electrolyte sandwiched between a PANI anode and PPy cathode enabling the battery to operate and maintain its performance while bent or twisted.
NiFeCo–OH/NiTe nanoarrays with amorphous/crystalline interfaces for highly efficient oxygen evolution reaction
Authors: Liu Jing , Liu Da , Yan Xiaoxiao , Guo Peifang , Xu Hongbin , Chen Peng , Wu Renbing
Published: April 2024

One-dimensional heterostructured NiFeCo–OH/NiTe nanorod arrays with amorphous/crystalline interfaces have been rationally synthesized, exhibiting an excellent OER electrocatalytic performance.
Superhydrophilic covalent organic frameworks accelerate photocatalytic production of hydrogen peroxide through proton channels
Authors: Bai Xiaojuan , Guo Linlong , Jia Tianqi , Hu Zhuofeng
Published: April 2024

Superhydrophilic COFs with D–A structure accelerate photocatalytic synthesis of H2O2using water as a proton supply reservoir.
Mechanisms underlying the acid leaching process for LiNi0.6Co0.2Mn0.2O2 with and without H2O2
Authors: Mukai Kazuhiko , Takatani Yasuhiro , Nonaka Takamasa
Published: April 2024

Digesting lithium insertion materials in acid solutions leads to today's discovery and developments of lithium-ion batteries (LIBs), and has recently received significant attention as a leaching process for recycling spent LIBs.
Participation of the spleen in the neuroinflammation after pilocarpine-induced status epilepticus: implications for epileptogenesis and epilepsy
Authors: Sarchi Paula Virginia , Gomez Cuautle Dante , Rossi Alicia , Ramos Alberto Javier
Published: April 2024

Epilepsy, a chronic neurological disorder characterized by recurrent seizures, affects millions of individuals worldwide. Despite extensive research, the underlying mechanisms leading to epileptogenesis, the process by which a normal brain develops epilepsy, remain elusive. We, here, explored the immune system and spleen responses triggered by pilocarpine-induced status epilepticus (SE) focusing on their role in the epileptogenesis that follows SE. Initial examination of spleen histopathology revealed transient disorganization of white pulp, in animals subjected to SE. This disorganization, attributed to immune activation, peaked at 1-day post-SE (1DPSE) but returned to control levels at 3DPSE. Alterations in peripheral blood lymphocyte populations, demonstrated a decrease following SE, accompanied by a reduction in CD3+ T-lymphocytes. Further investigations uncovered an increased abundance of T-lymphocytes in the piriform cortex and choroid plexus at 3DPSE, suggesting a specific mobilization toward the Central Nervous System. Notably, splenectomy mitigated brain reactive astrogliosis, neuroinflammation, and macrophage infiltration post-SE, particularly in the hippocampus and piriform cortex. Additionally, splenectomized animals exhibited reduced lymphatic follicle size in the deep cervical lymph nodes. Most significantly, splenectomy correlated with improved neuronal survival, substantiated by decreased neuronal loss and reduced degenerating neurons in the piriform cortex and hippocampal CA2-3 post-SE. Overall, these findings underscore the pivotal role of the spleen in orchestrating immune responses and neuroinflammation following pilocarpine-induced SE, implicating the peripheral immune system as a potential therapeutic target for mitigating neuronal degeneration in epilepsy.
Thermal Insulation Panels with Bio-Based Adhesives
Authors: Strikun Valentina Vasilievna , Bajandin Mikhail Andreevich , Ermolin Vladimir Nikolaevich , Pásztory Zoltán
Published: April 2024

Environment friendly insulation panels were manufactured and tested made of pine wood fibers and glued with a bio-based adhesive, called dextran. The aim of this work was to determine relevant technical properties of panels fabricated with this new glue type. In the panels, the ratio of dry glue content was varied from 30% to 60% with 10% steps which runs served as comparison basis. The density of the insulation panels was set to 70 kg/m3, 100 kg/m3 and 125 kg/m3. Beside their thermal conductivity, the compression strength, the bonding strength, and the wetting angle of the adhesive were measured. With the variation of panel densities, the thermal conductivity is in a narrow range of 0.039 to 0.042 W/mK. The resistance to compression at 10% strain was measured to be 0.3 MPa, 0.35 MPa and 0.4 MPa in the panels with 70 kg/m3, 100 kg/m3 and 125 kg/m3, respectively. The wetting angle of the adhesives seemed to correlate only weakly with the bonding strength, and the glue`s wetting ability diminished with the increase of the glue content. The results seem to be competitive if compared with the traditionally used glass and rockwool, and foam insulation materials.