bluuebunny/crossref_metadata_2025 huggingface dataset:
The first mitogenome of the genus Amphalius (Siphonaptera: Ceratophyllidae) and its phylogenetic implications
Authors: Pu Ju , Lin Xiaoxia , Dong Wenge
Published: December 2024

Amphalius spirataenius belongs to Arthropoda, Insecta, Siphonaptera, Ceratophylloidea, Ceratophyllinae, Amphalius. Only 2 species from the subfamily Ceratophyllinae have been sequenced for mitogenomes to date. The genus Amphalius mitogenome research was still blank. The A. spirataenius mitogenome was determined, annotated and analysed for the first time in this study. The 14 825 bp long genome has the typical metazoan of 37 genes with insect ancestral genome arrangement pattern. There was no significant difference in codon usage of 13 protein-coding genes: UUA, UCU, GUU, ACU and GCU were the most frequently used codons. It was found that the reason for codon preference mainly contributed to natural selection base on PR2, ENC-plot and neutrality curve analysis. Evolutionary rate, conserved sites, variable sites and nucleotide diversity analysis indicated that nad6 of A. spirataenius had the fastest evolutionary rate, while cox1 had the slowest evolutionary rate. Phylogenetic trees were reconstructed based on 13 protein-coding genes and 2 rRNA genes datasets using Bayesian inference and maximum likelihood method. The phylogenetic tree supported that both Siphonaptera and Mecoptera were monophyletic, and were sister groups to each other. This study filled gap of the genus Amphalius mitogenome sequences and was of great significance for understanding evolution of the order Siphonaptera.
The efficacy of psychological treatments on body dysmorphic disorder: a meta-analysis and trial sequential analysis of randomized controlled trials
Authors: Liu Yinong , Lai Lizu , Wilhelm Sabine , Phillips Katharine A. , Guo Yunxiao , Greenberg Jennifer L. , Ren Zhihong
Published: December 2024

This meta-analysis and trial sequential analysis (TSA) of randomized controlled trials (RCTs) on the psychological treatment of body dysmorphic disorder (BDD) was conducted to evaluate the intervention effects and robustness of the evidence. This study included 15 RCTs up until 15 June 2024, with 905 participants. Results showed significant improvements in BDD symptoms (g = −0.97), depression (g = −0.51), anxiety (g = −0.72), insight/delusion (g = −0.57), psychosocial functioning (g = 0.45), and quality of life (g = 0.44), with effects sustained from 1 to 6 months follow-up. RCTs with a waitlist/inactive control reported larger effect sizes for post-intervention BDD symptoms compared to those with a placebo/active control group. In addition, studies with low risk of bias demonstrate larger effect sizes for post-intervention psychosocial functioning compared to studies with some concerns. Notably, the presence of exposure and response prevention in the treatment, as well as the mode of delivery (face-to-face or digital), did not have a significant impact on the intervention outcomes. Females exhibited greater effect sizes in post-intervention BDD symptoms and psychosocial functioning than males. With increasing age, the effect size for insight/delusion symptoms diminished. Longer session duration was associated with larger effect sizes for BDD symptoms, depression at post-treatment, and depression at follow-up. TSA indicated robust evidence for depression at post-treatment and BDD symptoms, while the remaining outcome variables did not meet the desired level of evidence. In conclusion, this study underscores the effectiveness of psychological treatments in reducing BDD symptoms and improving related outcomes, highlighting the need for further research to confirm the impact of these therapies on other outcomes.
Time-Based prospective memory predicts insight into functional abilities among community-dwelling older adults
Authors: Gereau Mora Michelle , DesRuisseaux Libby A. , Suchy Yana
Published: December 2024

Objective:

Accurate appraisal of one’s own abilities (i.e., insight) is necessary for appropriate compensatory behaviors and sustained independence during aging. Although insight is often purported to be related to executive functioning (EF), nuanced understanding of the cognitive correlates of insight for functional abilities among nondemented older adults is lacking. Because insight shares neuroanatomic underpinnings with time-based prospective memory (PM), the present study examined the contributions of time-based PM, beyond event-based PM and other potential cognitive confounds (i.e., episodic memory, time estimation, and EF), in predicting insight into one’s own performance on instrumental activities of daily living (IADLs) among community-dwelling older adults.

Method:

A group of 88 nondemented, community-dwelling older adults completed performance-based measures of time- and event-based PM, episodic memory, time estimation, and EF, as well as IADL tasks followed by self-appraisals of their own IADL performance as indices of insight.

Results:

Time-based PM was moderately-to-strongly associated with insight, beyond event-based PM, time estimation, and episodic memory [F(1,83) = 11.58, p = .001, ηp2 = .122], as well as beyond EF and demographic covariates [F(1,79) = 10.72, p = .002, ηp2 = .119].Specifically, older adults who performed more poorly on a time-based PM task overestimated the efficiency of their own IADL performance to a greater extent.

Conclusions:

Findings suggest that nondemented older adults with poorer time-based PM may be more prone to inaccurately appraising their functional abilities and that this vulnerability may not be adequately captured by traditional EF measures.
Sustainable development goals and sleep: an integrative review of sleep health disparities and social, economic, and environmental sustainability
Authors: de Andrade Michael Jackson Oliveira
Published: December 2024

Sleep is a topic of scientific and technological relevance, as it is closely related to cognition, emotional well-being, and human health. In addition, health-related geopolitical and social changes have significant implications for sleep research, which in turn is linked to the sustainable development goals (SDGs). An integrative review is conducted to analyze multidisciplinary studies in the field of sleep, considering the socioecological model of sleep health and the SDGs. Sleep was found to play a key role in promoting several SDG: (1) Social and economic inclusion: sleep is linked to poverty eradication, food security, reducing inequalities, and promoting peace and justice; (2) Promoting well-being and quality of life: sleep quality directly affects health, education, gender equality, environmental protection, and combating climate change; (3) Economic and environmental sustainability: Adequate sleep contributes to decent work, innovation, infrastructure, responsible consumption, sustainable communities and collaboration through partnerships. This thematic organization provides an overview of the different aspects of the intersection between sleep health disparities and the SDG.
Development and Validation of the Japanese Version of the Comprehensive Autism Trait Inventory in University Students
Authors: Okada Satoshi , Chida Wakana , English Michael , Shibata Juri , Onsen Miyuki , Tsutsui Junko , Nakamura-taira Nanako
Published: December 2024

Abstract: Introduction: The Comprehensive Autism Trait Inventory (CATI) comprises six subscales, including “social camouflage” and “sensory sensitivity,” developed to address the limitations of comprehensive evaluation (English et al., 2021). In this study, we report the development of the Japanese version of the CATI (CATI-j) for university students and validate its reliability and validity. Methods: All 43 items of the original CATI were translated into Japanese using a cognitive interview ( N = 12) and back-translation method. The data from 509 participants were used to examine the item characteristics, the gender differences, and the factor structure. Results: Using samples of Japanese university students ( N = 509), we found good reliability and validity for the CATI-j. Confirmatory factor analysis revealed that a bifactor model, assuming two general factors for “social communication and interaction” and “repetitive and restricted behavior,” along with six specific factors, best fit the data. However, in contrast to previous studies, no significant differences between men and women were observed for each scale. Limitations: Several limitations remain for future exploration, including examining samples beyond university students, determining cutoff values for distinguishing autism spectrum disorder, and investigating cultural differences. Discussion: The CATI-j is applicable to Japanese university students.
Estimating the Electric Fields Driving Lightning Dart Leader Development With BIMAP‐3D Observations
Authors: Jensen Daniel P. , Shao Xuan‐Min , Sonnenfeld Richard G. , da Silva Caitano L.
Published: December 2024

In this paper, a numerical dart leader model has been implemented to understand the leader's development and the corresponding electric field changes observed by the 3D broadband mapping and polarization (BIMAP‐3D) system. The model assumes the extending leader channel is equipotential and has a linear charge distribution induced by an ambient electric field. The charge distribution induced by the ambient field can be used to model the electric field change at the ground. We then find the ambient electric field which best fits the field change measurements at the two BIMAP stations. The estimated ambient electric field decreases in the direction of dart leader propagation. Our observations and modeling results are consistent with our earlier hypothesis that dart leader speed is proportional to the electric field at the leader tip. The model also supports our earlier analysis that leader speed variations near branch junctions were due to previous charge deposits near the junctions. The modeled tip electric field is generally lower than the breakdown field unless the pre‐dart‐leader channel has a significant temperature of 3,000 K. This is consistent with the fact that dart leaders typically do not form new branches into the virgin air. Furthermore, the tip field is generally close to the negative streamer stability field at ambient temperatures, explaining the nature of the narrow and well‐defined channel structure. In addition to the charge distribution and the ambient and tip electric field, the development of the channel potential and current distribution are also presented.
β-Hydroxybutyrate suppresses M1 macrophage polarization through β-hydroxybutyrylation of the STAT1 protein
Authors: Bai Ya-Ping , Xing Yu-Jie , Ma Tao , Li Kai , Zhang Teng , Wang De-Guo , Wan Shu-Jun , Zhang Cui-Wei , Sun Yue , Wang Meng-Yan , Wang Guo-Dong , Pei Wen-Jun , Lv Kun , Zhang Yan , Kong Xiang
Published: December 2024

β-Hydroxybutyrate (β-OHB), the primary ketone body, is a bioactive metabolite that acts as both an energy substrate and a signaling molecule. Recent studies found that β-OHB inhibits the production of pro-inflammatory cytokines in macrophages, but its underlying molecular mechanisms have not yet been fully elucidated. Lysine β-hydroxybutyrylation (Kbhb), a post-translational modification mediated by β-OHB, plays a key role in regulating the expression and activity of modified proteins. However, whether macrophages undergo protein Kbhb and whether Kbhb modification regulates macrophage polarization remains largely unknown. In this study, treatment with β-OHB and ketone ester significantly decreased the lipopolysaccharide (LPS)-induced enhancement of the M1 phenotype of mouse bone marrow-derived macrophages (BMDMs), RAW264.7 cells, and peritoneal macrophages (PMs) in vitro and in vivo. Moreover, β-OHB treatment induced global protein Kbhb, which is associated with the regulation of macrophage M1 polarization. Proteome-wide Kbhb analysis in β-OHB-treated BMDMs revealed 3469 Kbhb modification sites within 1549 proteins, among which interleukin-12-responding proteins were significantly upregulated. Our results indicated that β-OHB regulated M1 macrophage polarization by inducing Kbhb modification of the signal transducer and activator of transcription 1 (STAT1) K679 site, which inhibited its LPS-induced phosphorylation and transcription. Altogether, our study demonstrated the presence of a widespread Kbhb landscape in the β-OHB-treated macrophages and provided novel insights into the anti-inflammatory effects of β-OHB.
High-resolution profile of neoantigen-specific TCR activation links moderate stimulation to increased resilience of engineered TCR-T cells
Authors: Füchsl Franziska , Untch Johannes , Kavaka Vladyslav , Zuleger Gabriela , Braun Sarah , Schwanzer Antonia , Jarosch Sebastian , Vogelsang Carolin , de Andrade Krätzig Niklas , Gosmann Dario , Öllinger Rupert , Giansanti Piero , Hiltensperger Michael , Rad Roland , Busch Dirk H. , Beltrán Eduardo , Bräunlein Eva , Krackhardt Angela M.
Published: December 2024

Neoantigen-specific T cell receptors (neoTCRs) promise safe, personalized anti-tumor immunotherapy. However, detailed assessment of neoTCR-characteristics affecting therapeutic efficacy is mostly missing. Previously, we identified diverse neoTCRs restricted to different neoantigens in a melanoma patient. In this work, we now combine single-cell TCR-sequencing and RNA-sequencing after neoantigen-specific restimulation of peripheral blood-derived CD8+ T cells of this patient. We detect neoTCRs with specificity for the previously detected neoantigens and perform fine-characterization of neoTCR-transgenic (tg) T cells in vitro and in vivo. We describe a heterogeneous spectrum of TCR-intrinsic activation patterns in response to a shared neoepitope ranging from previously detected more highly frequent neoTCRs with moderate activation to rare ones with initially stronger activation. Experimental restimulation of adoptively transferred neoTCR-tg T cells in a xenogeneic rechallenge tumor model demonstrates superior anti-tumor responses of moderate neoTCR-tg T cells upon repeated tumor contact. These insights have significant implications for the selection of TCRs for therapeutic engineering of TCR-tg T cells.
Frequent transitions in self-assembly across the evolution of a central metabolic enzyme
Authors: Sendker Franziska L. , Schlotthauer Tabea , Mais Christopher-Nils , Lo Yat Kei , Girbig Mathias , Bohn Stefan , Heimerl Thomas , Schindler Daniel , Weinstein Arielle , Metzger Brian P. H. , Thornton Joseph W. , Pillai Arvind , Bange Gert , Schuller Jan M. , Hochberg Georg K. A.
Published: December 2024

Many enzymes assemble into homomeric protein complexes comprising multiple copies of one protein. Because structural form is usually assumed to follow function in biochemistry, these assemblies are thought to evolve because they provide some functional advantage. In many cases, however, no specific advantage is known and, in some cases, quaternary structure varies among orthologs. This has led to the proposition that self-assembly may instead vary neutrally within protein families. The extent of such variation has been difficult to ascertain because quaternary structure has until recently been difficult to measure on large scales. Here, we employ mass photometry, phylogenetics, and structural biology to interrogate the evolution of homo-oligomeric assembly across the entire phylogeny of prokaryotic citrate synthases – an enzyme with a highly conserved function. We discover a menagerie of different assembly types that come and go over the course of evolution, including cases of parallel evolution and reversions from complex to simple assemblies. Functional experiments in vitro and in vivo indicate that evolutionary transitions between different assemblies do not strongly influence enzyme catalysis. Our work suggests that enzymes can wander relatively freely through a large space of possible assembly states and demonstrates the power of characterizing structure-function relationships across entire phylogenies.
The first ice-free day in the Arctic Ocean could occur before 2030
Authors: Heuzé Céline , Jahn Alexandra
Published: December 2024

Projections of a sea ice-free Arctic have so far focused on monthly-mean ice-free conditions. We here provide the first projections of when we could see the first ice-free day in the Arctic Ocean, using daily output from multiple CMIP6 models. We find that there is a large range of the projected first ice-free day, from 3 years compared to a 2023-equivalent model state to no ice-free day before the end of the simulations in 2100, depending on the model and forcing scenario used. Using a storyline approach, we then focus on the nine simulations where the first ice-free day occurs within 3–6 years, i.e. potentially before 2030, to understand what could cause such an unlikely but high-impact transition to the first ice-free day. We find that these early ice-free days all occur during a rapid ice loss event and are associated with strong winter and spring warming.
Breaking the angular dispersion limit in thin film optics by ultra-strong light-matter coupling
Authors: Mischok Andreas , Siegmund Bernhard , Le Roux Florian , Hillebrandt Sabina , Vandewal Koen , Gather Malte C.
Published: December 2024

Thin film interference is integral to modern photonics, e.g., allowing for precise design of high performance optical filters, photovoltaics and light-emitting devices. However, interference inevitably leads to a generally undesired change of spectral characteristics with angle. Here, we introduce a strategy to overcome this fundamental limit in optics by utilizing and tuning the exciton-polariton modes arising in ultra-strongly coupled microcavities. We demonstrate optical filters with narrow pass bands that shift by less than their half width (< 15 nm) even at extreme angles. By expanding this strategy to strong coupling with the photonic sidebands of dielectric multilayer stacks, we also obtain filters with high extinction ratios and up to 98% peak transmission. Finally, we apply this approach in flexible filters, organic photodiodes, and polarization-sensitive filtering. These results illustrate how strong coupling provides additional degrees of freedom in thin film optics that will enable exciting new applications in micro-optics, sensing, and biophotonics.
Phosphorylation-mediated conformational change regulates human SLFN11
Authors: Kugler Michael , Metzner Felix J. , Witte Gregor , Hopfner Karl-Peter , Lammens Katja
Published: December 2024

Human Schlafen 11 (SLFN11) is sensitizing cells to DNA damaging agents by irreversibly blocking stalled replication forks, making it a potential predictive biomarker in chemotherapy. Furthermore, SLFN11 acts as a pattern recognition receptor for single-stranded DNA (ssDNA) and functions as an antiviral restriction factor, targeting translation in a codon-usage-dependent manner through its endoribonuclease activity. However, the regulation of the various SLFN11 functions and enzymatic activities remains enigmatic. Here, we present cryo-electron microscopy (cryo-EM) structures of SLFN11 bound to tRNA-Leu and tRNA-Met that give insights into tRNA binding and cleavage, as well as its regulation by phosphorylation at S219 and T230. SLFN11 phosphomimetic mutant S753D adopts a monomeric conformation, shows ATP binding, but loses its ability to bind ssDNA and shows reduced ribonuclease activity. Thus, the phosphorylation site S753 serves as a conformational switch, regulating SLFN11 dimerization, as well as ATP and ssDNA binding, while S219 and T230 regulate tRNA recognition and nuclease activity.
NMR metabolomics as a complementary tool to brix-acid tests for navel orange quality control of long-term cold storage
Authors: Montgomery Keeton H. , Elhabashy Aya , Del Carmen Reynoso Rivas Maria , Brar Gurreet , Krishnan V. V.
Published: December 2024

Quality control plays a crucial role in maintaining the reputation of agricultural organizations by ensuring that their products meet the expected standards and preventing any loss during the packaging process. A significant responsibility of quality control is conducting periodic product assessments. However, subjective interpretation during physical inspections of fruits can lead to variability in reporting. To counter this, assessing total soluble solids (Brix) and percent acidity (Acid) can provide a more objective approach. Nevertheless, it is essential to note that many fruit metabolites can impact these parameters. Nuclear magnetic resonance (NMR) spectroscopy, particularly 1H-NMR, has become a popular tool for quality control in recent years due to its precision, sample preservation, and high throughput analysis. This manuscript investigates if the standard Brix/Acid tests are directly related to the levels of metabolites during cold storage. Using citrus as the model system, a metabolomics analysis was conducted to identify patterns in the cold storage metabolite profiles of the juice, albedo, and flavedo tissues. The results show that Brix (or total dissolved solids) correlates well with sucrose, glucose, and fructose levels and moderately with choline levels. Acid (percent acidity) levels displayed a negative correlation with both fructose and choline levels. Interestingly, the formate levels were susceptible to storage time and directly related to Acid measurements. This study suggests metabolomics could be a complementary technique to quality control of fruits in cold storage, especially with cost-effective desktop NMR spectrometers.
Large-scale global retrospective study on the interaction between ancestry and risk of comorbid autoimmune diseases in patients with pemphigus
Authors: Saurabh Rochi , Cani Anikamila , Möller Marius , Busch Hauke
Published: December 2024

The pemphigus family of skin blistering diseases represents a rare yet potentially life-threatening condition characterized by multiple known genetic loci associated with other autoimmune disorders. While several studies have empirically indicated an increased risk of developing additional autoimmune diseases in individuals with pemphigus, the scarcity of data and the rarity of pemphigus have hindered efforts to establish and generalize these associations across diverse populations. In this study, we analyzed a dataset comprising 126 million patients, including 18,000 with pemphigus, to assess the likelihood of developing any of 74 autoimmune diseases following a diagnosis of pemphigus. For a subset of 26 diseases from this list with adequate patient numbers, we conducted further case-control retrospective analyses to quantify the odds and hazard ratios of developing comorbid conditions across various ethnicities. Our findings reveal highly significant and generalizable associations between pemphigus and pemphigoid diseases, discoid lupus erythematosus, lichen planus, and undifferentiated connective tissue disease, among others.
Monitoring May 2024 solar and geomagnetic storm using broadband seismometers
Authors: Díaz J.
Published: December 2024

The abrupt variations in the magnetic field due to the May 2024 geomagnetic storm have been recorded by broadband seismometers distributed around the world for a time interval of more than 55 h. Signals related to magnetic field variations can be identified in seismic data for frequencies below 10 mHz, but are clearer between 1.5 and 5 mHz, the frequency band corresponding to Pc5 magnetic pulsations. The number of seismological stations that detect these signals varies significantly between the various seismic networks analyzed, but in general they do not exceed 50–60%. The origin of these signals appears to be related to the interaction between telluric currents induced by magnetic field disturbances associated with the geomagnetic storm and the detection systems in broadband sensors, which measure the current intensity necessary to keep the mass of the seismometer fixed. Although detailed calibration of each seismometer will be necessary to use the seismic data to model the waveforms and amplitudes of the magnetic pulsations, the analysis of this data provides a significant densification with respect to the magnetic observatory data, as is of interest to analyze the temporal and regional evolution of the magnetics disturbances associated to the May 2024 solar storm.
Cortical tracking of postural sways during standing balance
Authors: Legrand Thomas , Mongold Scott J. , Muller Laure , Naeije Gilles , Ghinst Marc Vander , Bourguignon Mathieu
Published: December 2024

Maintaining an upright stance requires the integration of sensory inputs from the visual, vestibular and somatosensory-proprioceptive systems by the central nervous system to develop a corrective postural strategy. However, it is unclear whether and how the cerebral cortex monitors and controls postural sways. Here, we asked whether postural sways are encoded in ongoing cortical oscillations, giving rise to a form of corticokinematic coherence (CKC) in the context of standing balance. Center-of-pressure (CoP) fluctuations and electroencephalographic cortical activity were recorded as young healthy participants performed balance tasks during which sensory information was manipulated, by either removal or alteration. We found that postural sways are represented in ongoing cortical activity during challenging balance conditions, in the form of CKC at 1–6 Hz. Time delays between cortical activity and CoP features indicated that both afferent and efferent pathways contribute to CKC, wherein the brain would monitor the CoP velocity and control its position. Importantly, CKC was behaviorally relevant, as it predicted the increase in instability brought by alteration of sensory information. Our results suggest that human sensorimotor cortical areas take part in the closed-loop control of standing balance in challenging conditions. Importantly, CKC could serve as a neurophysiological marker of cortical involvement in maintaining balance.
Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR
Authors: Assaf Charbel D. , Gui Xin , Salnikov Oleg G. , Brahms Arne , Chukanov Nikita V. , Skovpin Ivan V. , Chekmenev Eduard Y. , Herges Rainer , Duckett Simon B. , Koptyug Igor V. , Buckenmaier Kai , Körber Rainer , Plaumann Markus , Auer Alexander A. , Hövener Jan-Bernd , Pravdivtsev Andrey N.
Published: December 2024

The signal amplification by reversible exchange process (SABRE) enhances NMR signals by unlocking hidden polarization in parahydrogen through interactions with to-be-hyperpolarized substrate molecules when both are transiently bound to an Ir-based organometallic catalyst. Recent efforts focus on optimizing polarization transfer from parahydrogen-derived hydride ligands to the substrate in SABRE. However, this requires quantitative information on ligand exchange rates, which common NMR techniques struggle to provide. Here, we introduce an experimental spin order transfer sequence, with readout occurring at 15N nuclei directly interacting with the catalyst. Enhanced 15N NMR signals overcome sensitivity challenges, encoding substrate dissociation rates. This methodology enables robust data fitting to ligand exchange models, yielding substrate dissociation rate constants with higher precision than classical 1D and 2D 1H NMR approaches. This refinement improves the accuracy of key activation enthalpy ΔH‡ and entropy ΔS‡ estimates. Furthermore, the higher chemical shift dispersion provided by enhanced 15N NMR reveals the kinetics of substrate dissociation for acetonitrile and metronidazole, previously inaccessible via 1H NMR due to small chemical shift differences between free and Ir-bound substrates. The presented approach can be successfully applied not only to isotopically enriched substrates but also to compounds with natural abundance of the to-be-hyperpolarized heteronuclei.
Resolving severely overlapping ion mobility peaks using enhanced Fourier self-deconvolution
Authors: Liu Shujuan , Jia Jian , Gao Xiaoguang , He Xiuli
Published: December 2024

Improved Fourier self-deconvolution using continuous wavelet transform for accurate peak resolution in ion mobility spectrometry.
Developing porous electrocatalysts to minimize overpotential for the oxygen evolution reaction
Authors: Ami Takahiro , Oka Kouki , Kasai Hitoshi , Kimura Tatsuo
Published: December 2024

This feature article mainly outlines the advances in the precise design of inorganic- and organic-based porous electrocatalysts towards the enhancement of oxygen evolution reaction (OER) properties to achieve efficient water-splitting reaction.
Visible light-mediated formal alkylation and [4+1]-cycloaddition strategies of silyl enol ethers with aryldiazoacetates
Authors: Cariello Guilherme , Gallo Rafael D. C. , Deflon Victor M. , Cormanich Rodrigo A. , Jurberg Igor D.
Published: December 2024

Reaction sequences of visible light-mediated cycloaddition/acidic treatment between silyl enol ethers and aryldiazoacetates allow the preparation of γ-keto esters and 2-cyclopentenones.
Two stacking types of three-dimensional cocrystal structures based on multiple hydrogen bonds
Authors: Yan Wenjin , Wang Tianwei , Hu Yingxin , Chen Longming , Wang Peng , Pang Chaoran , Lu Rongwen , Zhang Shufen
Published: December 2024

Two stacking types of 3D cocrystal structures (Phpm-o and Phpm-p) are facilely prepared via multiple hydrogen-bonding interactions, which are based on the torus-shaped electron density of the sulfur atom.
Influence of polymer chain length and concentration on the deposition patterns of linear diblock copolymer solution nanodroplets
Authors: Pei Han-Wen , Zhang Jun , Sun Zhao-Yan
Published: December 2024

This work investigates the influence of polymer length and concentration on deposition patterns of linear diblock copolymer solution nanodroplets.
Strongly coupled and highly-compacted zirconium aminobenzenedicarboxylate crystal membranes for accelerating carbon dioxide capture
Authors: Li Qi , Luo Liangmei , Wu Zhiwei , Cao Yufei , Guo Qiyang , Wang Yanqing
Published: December 2024

The configurations of MOF crystals has a significant on selectivity and permeability.
Workflow for practical quantum chemical calculations with a quantum phase estimation algorithm: electronic ground and π–π* excited states of benzene and its derivatives
Authors: Ino Yusuke , Yonekawa Misaki , Yuzawa Hideto , Minato Yuichiro , Sugisaki Kenji
Published: December 2024

The workflow for the quantum chemical calculations of benzene and its derivatives on quantum computers in chemical precision is proposed.
Exploring the properties of new super-chalcogens based on multiple electron counting rules: a combined DFT and ab initio study on [M(B2C4X6)2]2− dianion clusters
Authors: Bai Zhi-Hui , Zhao Yu , Qin Zhangyuhui , Zheng Qingzhen , Li Jin-Feng
Published: December 2024

Based on an ab initio method and density functional theory, super-chalcogen properties of multi-charged sandwich structural clusters [M(B2C4X6)2]2− are studied and found to be superior to traditional clusters owing to significant large FVDE values.
Orientation and rotation of cholesteric liquid crystals relative to a heat flow studied by molecular dynamics simulation and implications for the Lehmann effect
Authors: Sarman Sten , Laaksonen Aatto
Published: December 2024

A cholesteric liquid crystal subjected to a temperature gradient exerting a torque.
Understanding asymmetric hydrogenation of alkenes catalyzed by the first-row transition metal Fe: a first-principles exploration
Authors: Mahato Akhilesh , Mahato Anupama , Ghoshal Sourav , Pramanik Anup , Sarkar Pranab
Published: December 2024

First-principles analyses were performed for understanding the mechanistic details of Fe-catalysed asymmetric hydrogenation of alkenes in the presence of silane that has recently been experimentally realized.
A density functional theory study of two-dimensional bismuth selenite: layer-dependent electronic, transport and optical properties with spin–orbit coupling
Authors: Wang Yao , Zhang Jinsen , Zhang Xuanlin , Hua Chenqiang , Lu Yunhao , Tao Xinyong
Published: December 2024

The electronic, transport, optical and piezoelectric properties of vdW layered Bi2SeO5 have been tuned by the layer number and SOC.
Characterization of high Zr/Ce ratio Ba(Zr,Ce,Y)O3−δ proton conductors: investigating the impact of Y on the properties of materials
Authors: Zeng Yuan , Kindelmann Moritz , Leonard Kwati , Schäfer Laura-Alena , Yao Kai , Malzbender Jürgen , Müller Michael , Guillon Olivier , Ivanova Mariya E. , Menzler Norbert H.
Published: December 2024

High Zr/Ce ratio Ba(Zr,Ce)O3 proton conductor with 10–30 at% Y shows enhanced proton conductivity via increased charge carrier concentration. Effect of Y content on microstructure, hydration, conductivity and space charge layer are discussed.
Accelerated photocatalytic hydrogen evolution over donor–acceptor type graphitic carbon nitride (g-CN) with simultaneous modification of pyrimidine and thiophene rings
Authors: Watanabe Shigen , Katsumata Hideyuki , Uzzaman Monir , Tateishi Ikki , Furukawa Mai , Kaneco Satoshi
Published: December 2024

G-CN (UPDB-10) with donor–acceptor (DA) structure and abundant π-conjugation could be successfully enhanced the photocatalytic hydrogen evolution rate.
Selective detoxification of a sulfur mustard simulant in air by a methylene blue-functionalized metal–organic framework
Authors: Zhou Jinfeng , Zhou Qing , Sun Haoxuan , Li Xiangqian , Chen Ao , Chen Junyao , Chu Chunjie
Published: December 2024

A novel MB@UC composite was synthesized and applied in effective detoxification of a sulfur mustard simulant in air within 6 minutes.
C–H bond chlorination and bromination using water soluble nickel(ii) guanidine complexes
Authors: Khatri Jaipriya , Mari Vasanthapandiyan , Sarkar Aniruddha , Karmodak Naiwrit , Dhar Basab Bijayi
Published: December 2024

Water-soluble nickel(ii)-guanidine-based complexes successfully catalyzed the C–H chlorination of a series of hydrocarbons in the presence of NaOCl and acetic acid in water–chloroform (7 : 3, biphasic condition) at room temperature.
Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands
Authors: Angarkhe Priyanka R. , Sahoo Satyajit , Singhdeo Simran , Shankar SR Kripa , Upadhyay Manav , Mahiya Kuldeep , Tripathy Jagnyaseni , Behera Rakesh K. , Mohapatra Swagat K.
Published: December 2024

N-Heteroaromatic receptors with N–H and O–H acidic protons have shown potential for selectively binding F− ions of varying geometries, as confirmed by solid-state structural analysis as well as solution NMR and UV-Vis studies.
Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects
Authors: Ganta Prasanna Kumar , Huang Fei , Halima Taoufik Ben , Kamaraj Rajiv , Chu Yu-Ting , Tseng Hsi-Ching , Ding Shangwu , Wu Kuo-Hui , Chen Hsuan-Ying
Published: December 2024

A series of aluminum complexes bearing phenolate (O–Al and O2–Al), biphenolate (OO–Al type), aminophenolate (ON–Al), aminobiphenolate (ONO–Al), bis(phenolato)bis(amine) (NNOO–Al), and Salan (ONNO–Al) type ligands were synthesized.
Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds
Authors: Varmužová Věra , Císařová Ivana , Schulz Jiří , Kalíková Květa , Štěpnička Petr
Published: December 2024

Pd-catalysed C–H bond functionalisation converts N-[(bromoaryl)methyl]-N-(methylsulfonyl)aminoferrocenes into helical and planar-chiral ferroceno-1,2-dihydroisoquinolines.
Persistent photothermal CO2 methanation without external energy input
Authors: Du Kai , Guo Jiaqi , Song Chenxi , Liu Xin , Chen Mingjun , Yuan Dachao , Ye Runping , San Xingyuan , Li Yaguang , Ye Jinhua
Published: December 2024

A self-operating photothermal CO2 methanation system in solar free environments is successfully developed by integrating a homemade photothermal TiC/Cu based device with a solid solution structure of NiO and CeO2.
Carbon incorporated isotype heterojunction of poly(heptazine imide) for efficient visible light photocatalytic hydrogen evolution
Authors: Niu Ping , Zhang Haoqing , Zeng Jian , Hu Tianjian , Zhang Meixue , Xie Chengyao , Zhai Boyin , Odent Jérémy , Wang Shulan , Li Li
Published: December 2024

Incorporating carbon in melon promotes the formation of high crystalline poly(heptazine imide) (PHI)-based heterojunction, and the resulting heterojunction (C@Na–PHI/K–PHI) shows superior photocatalytic hydrogen evolution activities.
Role of a hydrophobic microenvironment in catalytic C1 transformations
Authors: Teong Siew Ping , Chan Shook Pui , Li Xiukai , Wang Jinquan , Zhang Yugen
Published: December 2024

Hydrophobic catalysts or hydrophobic microenvironments can apparently enhance catalytic performance in C1 transformations by water removal or enhanced gas permeation.
Engineering industrial fungus Aspergillus oryzae for the sustainable biosynthesis of ergot alkaloids
Authors: Xiao Meili , Wang Yan , Yu Lu , Yan Xing , Zhu Zhihua , Tian Ernuo , Wang Yinmei , Zou Gen , Zhou Zhihua , Wang Pingping
Published: December 2024

The efficient de novo biosyntheses of lysergic acid and ergoamide were realized in Aspergillus oryzae, which promoted the sustainable production of pharmaceutical ergot alkaloids.
A waste-minimized protocol for electrochemical reductive amination and its environmental assessment
Authors: Trastulli Colangeli Simone , Campana Filippo , Ferlin Francesco , Vaccaro Luigi
Published: December 2024

We report an efficient protocol for electrochemical reductive amination. A careful combination of reaction medium and electrolyte has allowed waste minimization and improved sustainability, as detailed by the environmental assessment of the process.
Rapid automated production of tubular 3D intestine-on-a-chip with diverse cell types using coaxial bioprinting
Authors: Song Heeju , Hong Yeonjin , Lee Hyungseok
Published: December 2024

This study introduces a coaxial bioprinting method to construct 3D tubular intestinal structures, overcoming current model limitations, including limited structural and functional similarity to native tissue.
Porphyrinic N4 channels of zinc ions for the electrochemical reversibility of zinc plating/stripping
Authors: Kim Hyun-Woo , Cho Eunyoung , Kwak Myung-Jun , Lee Jeongin , Lee Hosik , Hwang Chihyun , Song Hyun-Kon
Published: December 2024

A Zn2+-coordinated porphyrinic artificial SEI (αSEI) layer, [Zn]PP-4COO−(Zn), inspired by biological zinc transport, improves zinc plating/stripping reversibility with non-dendritic deposition in aqueous ZIBs by enabling Zn2 transport via N4 channels.
Proton-controlled Dzyaloshinskii–Moriya interaction and topological Hall effect in hydrogenated strontium ruthenate
Authors: Xu Ya-Ting , Niu Xu , Zhao Yi-Feng , Zhang Yu-Ke , Cai Yu , Fu Meng-Yao , Feng Min , Qu Ke , Deng Xing , Wang Bo-Wen , Wang Ya-Qiong , Guan Zhao , Yang Zhen-Zhong , Chen Bin-Bin , Zhong Ni , Duan Chun-Gang , Xiang Ping-Hua
Published: December 2024

A practically pure proton doping effect is realized to control the topological Hall effect in strontium ruthenate using the catalysis-assisted hydrogenation method.
Boron nitride–Ag NWs/polyvinyl alcohol films with high thermal conductivity and excellent mechanical properties prepared via air/water interfacial assembly
Authors: Nie Zheng , Li Xinyi , Wu Fangjun , Lai Fujie , Yang Xudong , Chen Shaoyang , Yan Chao , Wang Yang
Published: December 2024

Boron nitride–Ag NWs/polyvinyl alcohol films with high thermal conductivity and excellent mechanical properties as thermal management materials were prepared via air/water interfacial assembly.
Introduction to metal nanoclusters
Authors: Mandal Sukhendu , Sun Di , Negishi Yuichi , Das Anindita
Published: December 2024

Sukhendu Mandal, Di Sun, Yuichi Negishi and Anindita Das introduce the Nanoscale themed collection on metal nanoclusters.
Visible light-induced PPh3/MI-promoted δ-C(sp3)–H chlorination and cyclization with N-chloro-arylsulfonamides via EDA complexes
Authors: Qin Xiaotao , Liu Hui , Hu Jinkai , Yang Chenglei , Shi Ao-Tong , Lv Qing-Long , Yang Jinhui , Li Dianjun
Published: December 2024

PPh3, MI and N-chloro-arylsulfonamides could generate amidyl radicals via EDA complexes under visible light irradiation, these radicals provide δ-chloro-arylsulfonamide and N-arylsulfonylpyrrolidine motifs in moderate yields via 1,5-HAT process.
Recent progress in nonstoichiometric step-growth polymerization
Authors: Yokawa Kenta , Higashihara Tomoya
Published: December 2024

This review examines recent progress in synthesizing high-molecular-weight polymers via atypical nonstoichiometric step-growth polymerization based on reactive intermediate mechanism or intramolecular catalyst transfer systems.
3D printable biopolymers as pelvic floor scaffolds
Authors: Chambers Lindsay B. , Zhu Yuxiang , Yu Churan , Crutchfield Natalie , Hou Jixin , Liang Liang , Wang Xianqiao , Liu Yang , Sobczak M. Taylor , Theobald Taylor , Sun Xiao , Stoll Carly R. , Pulido Tiffany V. , Yi Johnny , Cornella Jeffrey L. , McIlwee Heather , Handa Hitesh , Brisbois Elizabeth J. , Lancaster Jessica N. , Song Kenan
Published: December 2024

Our polyvinyl alcohol feedstock was prepared through carbic anhydride functionalization, UV curing during direct ink writing, and base treatment. The scaffold exhibited mechanical properties similar to pelvic floor tissue.
Polymorphic potential of SRF binding site of c-Fos gene promoter: in vitro study
Authors: Profantová Barbora , Římal Václav , Profant Václav , Socha Ondřej , Barvík Ivan , Štěpánková Helena , Štěpánek Josef
Published: December 2024

We show that the single-strand DNA of c-Fos promoter forms a highly stable hairpin. Its six-membered loop is stabilized through stacking, hydrogen bonding, and hydrophobic packing. This structure could facilitate recognition by transcription factors.
Organomercury oligonucleotide–polydopamine nanoparticle assemblies discriminate between target sequences by Hg(ii)-mediated base pairing
Authors: Kotammagari Tharun K. , Al-Waeel Majid , Lukkari Jukka , Lönnberg Tuomas
Published: December 2024

An organomercury nucleobase of a hybridization probe can engage in either adsorption on a polydopamine nanoparticle or Hg(ii)-mediated base pairing with a complementary oligonucleotide. The equilibrium is sensitive to the base pairing partner.
Spatiotemporal evolution of heterogeneous structures in agarose gels revealed by particle tracking
Authors: Yanagisawa Naoya , Hara Takemi , Yanagisawa Miho
Published: December 2024

Displacement distributions of colloids dispersed in agarose gels below 1 μm, combined with diffusion coefficient mappings at larger scales, reveal the heterogeneous structure of agarose gels accompanied by phase separation.
Breaking scaling relations and boosting ammonia synthesis in nitrogen reduction with V-containing heteronuclear double metal atoms
Authors: He Bingling , Ren Mingyang , Zhang Liying , Lv Peng , Liu Mengyin , Ye Song , Jia Yu
Published: December 2024

Dual-atom catalysts composed of V and 3d TMs have enhanced NRR activity by modulating charge transfer.
Modulating electrolyte solvation structures with Fe-embedded carbon matrix substrates for robust lithium-metal plating
Authors: Peng Jiayue , Wang Jinghan , Pu Xiangjun , Xie Jia
Published: December 2024

Carbonized Fe-BTC to Fe@C is utilized as a substrate to enhance lithium deposition by modulating the Li+ solvation structure. This approach significantly improves cycling performance.
Ferroelectric materials as photoelectrocatalysts: photoelectrode design rationale and strategies
Authors: Gunawan Michael , Zhou Shujie , Gunawan Denny , Zhang Qi , Hart Judy N. , Amal Rose , Scott Jason , Valanoor Nagarajan , Toe Cui Ying
Published: December 2024

The utilization of ferroelectrics offers an additional lever to surpass the performance limits of traditional photoelectrodes. In this review, design strategies for ferroelectric photoelectrodes from materials to PEC system design are assessed.
Facile detection of microplastics from a variety of environmental samples with conjugated polymer nanoparticles
Authors: Awada Angela , Potter Mark , Aherne Julian , Lavoie-Bernstein Sarah , Diamond Miriam L. , Helm Paul A. , Jantunen Liisa , Welsh Brittany , Mutus Bulent , Rondeau-Gagné Simon
Published: December 2024

Microplastic pollution constitutes a pressing global environmental issue impacting nearly every facet of human activity.
Enhanced α-phase stability of formamidinium lead iodide with addition of 5-ammonium valeric acid chloride
Authors: Li Yanan , Bahnick Abigale , Lohr Patrick J. , Raglow Sean , Printz Adam D.
Published: December 2024

The photoactive α-phase of formamidinium lead iodide (FAPbI3) is not thermodynamically stable at operating temperatures, but can be significantly improved by incorporating 5-ammonium valeric acid chloride into precursor solutions.
Implementation and evaluation of digital twin framework for Internet of Things based healthcare systems
Authors: Jameil Ahmed K. , Al‐Raweshidy Hamed
Published: December 2024

The integration of digital twins (DTs) in healthcare is critical but remains limited in real‐time patient monitoring due to challenges in achieving low‐latency telemetry transmission and efficient resource management. This paper addresses these limitations by presenting a novel cloud‐based DT framework that optimises real‐time healthcare monitoring, providing a timely solution for critical healthcare needs. The framework incorporates a Pyomo‐based dynamic optimisation model, which reduces telemetry latency by 32% and improves response time by 52%, surpassing existing systems. Leveraging low‐cost, low‐latency multimodal sensors, the system continuously monitors critical physiological parameters, including SpO2, heart rate, and body temperature, enabling proactive health interventions. A DT definition language (Digital Twin Definition Language)‐based time series analysis and twin graph platform further enhance sensor connectivity and scalability. Additionally, the integration of machine learning (ML) strengthens predictive accuracy, achieving 98% real‐time accuracy and 99.58% under cross‐validation (cv = 20) using the XGBoost algorithm. Empirical results demonstrate substantial improvements in processing time, system stability, and learning capacity, with real‐time predictions completed in 17 ms. This framework represents a significant advancement in healthcare monitoring, offering a responsive and scalable solution to latency and resource constraints in real‐time applications. Future research could explore incorporating additional sensors and advanced ML models to further expand its impact in healthcare applications.
An advanced simulation tool to support adoption of alternative non-fossil carbon sources in electric steelworks
Authors: Matino Ismael , Colla Valentina , Petrucciani Alice , Zaccara Antonella , Toscanelli Orlando , Soto Larzabal Aintzane , Zubero Lombardia Asier
Published: December 2024

In the European Green Deal background, electric steelworks are highly committed to decrease their environmental impact and greenhouse gas emissions. Among the different solutions, the use of alternative non-fossil carbon sources is promising for reducing both the environmental impact and the dependency from fossil energy and C-sources markets. The paper fits into this context and focuses on the application of an advanced model to support the investigations for the adoption of alternative non-fossil carbon sources in electric steelworks. The model is an update of a previous version allowing the simulation of a standard electric scrap route; model adaptations, validations and tests are described and showed. In addition, the first simulation results depict the possibility of obtaining a decrease between 3% and 20% of EAF CO2 emissions by substituting fossil carbon. In parallel, a survey on the perception of the use of these kinds of tools from the European steel sector stakeholders was conducted. From the survey outcomes, it emerges an evident interest but also the need of models simple to be adapted, used, transferred and that can provide significant benefits. The adapted and used model try to fit with stakeholder requirements and to be a facilitator in the application of novel environmental friendly solutions in electric steelworks.