bluuebunny/crossref_metadata_2025 huggingface dataset:
A systematic review of recruitment and retention of ethnic minorities and migrants in obesity prevention randomised controlled trials
Authors: Wali Nidhi , Huda Md. Nazmul , Gill Timothy , Green Julie , Renzaho Andre M. N.
Published: June 2024

Background

Participants’ recruitment and retention into community-based interventions can be challenging, especially in research involving ethnic minorities and migrants. Despite known challenges, there are limited reviews that probe recruitment and retention strategies involving ethnic minorities and migrants in the Organisation for Economic Cooperation and Development (OECD) countries. This systematic review aimed to measure recruitment and retention rates and identify the barriers and facilitators to effective recruitment and retention of ethnic minorities and migrants in community-based obesity prevention Randomised Control Trials (RCTs) in OECD countries.

Methods

This review was conducted according to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. Five databases (CINAHL, Cochrane, Embase, Medline and PsychInfo) were searched from January 2000 to March 2022, in addition to Google and Google Scholar. Methodological quality and risk of bias were assessed, and pooled analysis and meta-ethnographic analysis were conducted on the included studies.

Results

Twenty-five studies were included in the review. The pooled analysis found a 64% rate of recruitment of ethnic minorities in RCTs, with a retention rate of 71%. Key facilitators identified were—use of multiple communication channels, incentives, recruiting community champions, participant convenience and employing culturally sensitive strategies. Key barriers to participation were limited access to study sites, time constraints, limited trust, perceived fear, and anxiety.

Conclusion

Findings suggest the importance of undertaking culturally appropriate recruitment and retention strategies to minimise barriers and facilitate effective recruitment and retention of low-income ethnic minorities and migrants in community-based research.
FBP1 orchestrates keratinocyte proliferation/differentiation and suppresses psoriasis through metabolic control of histone acetylation
Authors: Zhang Pengfei , Yang Ju , Liu Xiong , Huang Congshu , Tao Yuandong , Shen Pan , Bai Zhijie , Xiao Chengrong , Zhou Lei , Li Gaofu , Zhang Li , Zhou Wei , Gao Yue
Published: June 2024

Keratinocyte proliferation and differentiation in epidermis are well-controlled and essential for reacting to stimuli such as ultraviolet light. Imbalance between proliferation and differentiation is a characteristic feature of major human skin diseases such as psoriasis and squamous cell carcinoma. However, the effect of keratinocyte metabolism on proliferation and differentiation remains largely elusive. We show here that the gluconeogenic enzyme fructose-1,6-bisphosphatase 1 (FBP1) promotes differentiation while inhibits proliferation of keratinocyte and suppresses psoriasis development. FBP1 is identified among the most upregulated genes induced by UVB using transcriptome sequencing and is elevated especially in upper epidermis. Fbp1 heterozygous mice exhibit aberrant epidermis phenotypes with local hyperplasia and dedifferentiation. Loss of FBP1 promotes proliferation and inhibits differentiation of keratinocytes in vitro. Mechanistically, FBP1 loss facilitates glycolysis-mediated acetyl-CoA production, which increases histone H3 acetylation at lysine 9, resulting in enhanced transcription of proliferation genes. We further find that the expression of FBP1 is dramatically reduced in human psoriatic lesions and in skin of mouse imiquimod psoriasis model. Fbp1 deficiency in mice facilitates psoriasis-like skin lesions development through glycolysis and acetyl-CoA production. Collectively, our findings reveal a previously unrecognized role of FBP1 in epidermal homeostasis and provide evidence for FBP1 as a metabolic psoriasis suppressor.
The structure of the TH/INS locus and the parental allele expressed are not conserved between mammals
Authors: Newman Trent , Ishihara Teruhito , Shaw Geoff , Renfree Marilyn B.
Published: June 2024

Parent-of-origin-specific expression of imprinted genes is critical for successful mammalian growth and development. Insulin, coded by the INS gene, is an important growth factor expressed from the paternal allele in the yolk sac placenta of therian mammals. The tyrosine hydroxylase gene TH encodes an enzyme involved in dopamine synthesis. TH and INS are closely associated in most vertebrates, but the mouse orthologues, Th and Ins2, are separated by repeated DNA. In mice, Th is expressed from the maternal allele, but the parental origin of expression is not known for any other mammal so it is unclear whether the maternal expression observed in the mouse represents an evolutionary divergence or an ancestral condition. We compared the length of the DNA segment between TH and INS across species and show that separation of these genes occurred in the rodent lineage with an accumulation of repeated DNA. We found that the region containing TH and INS in the tammar wallaby produces at least five distinct RNA transcripts: TH, TH-INS1, TH-INS2, lncINS and INS. Using allele-specific expression analysis, we show that the TH/INS locus is expressed from the paternal allele in pre- and postnatal tammar wallaby tissues. Determining the imprinting pattern of TH/INS in other mammals might clarify if paternal expression is the ancestral condition which has been flipped to maternal expression in rodents by the accumulation of repeat sequences.
Microorganism-mediated denitrogenation of aquaculture systems provoked by poly-β-hydroxybutyrate (PHB)
Authors: Xia Yun , Liu Yarong , Zhang Kai , Sun Jinhui , Wang Guangjun , Li Zhifei , Tian Jingjing , Gong Wangbao , Li Hongyan , Xie Wenping , Kaneko Gen , Xie Jun , Yu Ermeng
Published: June 2024

The biodegradable polymer poly-β-hydroxybutyrate (PHB) is a promising carbon source for biological mitigation of nitrogen pollution, a significant problem in aquaculture that physical and chemical methods have not provided a comprehensive solution. Here we investigated the impact of PHB on the zero-water-change largemouth bass culture by 30- and 40-day experiments. PHB loaded into the filter circulation pump at 4 g L−1, optimum value determined by the first experiment, significantly reduced the levels of nitrate by 99.65%, nitrite by 95.96%, and total nitrogen by 85.22% compared to the control without PHB. PHB also significantly increased denitrifying bacteria (e.g., Proteobacteria and Fusobacteria) and expression of denitrification genes (e.g., nirK and nirS) in the microbial community, improving growth and health parameters of largemouth bass. While the impact may vary in other culture systems, PHB thus demonstrated its remarkable utility in aquaculture, highlighting ecological assessment and application to larger aquaculture operations as future considerations.
Non-literacy biased, culturally fair cognitive detection tool in primary care patients with cognitive concerns: a randomized controlled trial
Authors: Verghese Joe , Chalmer Rachel , Stimmel Marnina , Weiss Erica , Zwerling Jessica , Malik Rubina , Rasekh David , Ansari Asif , Corriveau Roderick A. , Ehrlich Amy R. , Wang Cuiling , Ayers Emmeline
Published: June 2024

Dementia is often undiagnosed in primary care, and even when diagnosed, untreated. The 5-Cog paradigm, a brief, culturally adept, cognitive detection tool paired with a clinical decision support may reduce barriers to improving dementia diagnosis and care. We performed a randomized controlled trial in primary care patients experiencing health disparities (racial/ethnic minorities and socioeconomically disadvantaged). Older adults with cognitive concerns were assigned in a 1:1 ratio to the 5-Cog paradigm or control. Primary outcome was improved dementia care actions defined as any of the following endpoints within 90 days: new mild cognitive impairment syndrome or dementia diagnoses as well as investigations, medications or specialist referrals ordered for cognitive indications. Groups were compared using intention-to-treat principles with multivariable logistic regression. Overall, 1,201 patients (mean age 72.8 years, 72% women and 94% Black, Hispanic or Latino) were enrolled and 599 were assigned to 5-Cog and 602 to the control. The 5-Cog paradigm demonstrated threefold odds of improvement in dementia care actions over control (odds ratio 3.43, 95% confidence interval 2.32–5.07). No serious intervention-related adverse events were reported. The 5-Cog paradigm improved diagnosis and management in patients with cognitive concerns and provides evidence to promote practice change to improve dementia care actions in primary care.

ClinicalTrials.gov: NCT03816644.
Mini-heterochromatin domains constrain the cis-regulatory impact of SVA transposons in human brain development and disease
Authors: Horváth Vivien , Garza Raquel , Jönsson Marie E. , Johansson Pia A. , Adami Anita , Christoforidou Georgia , Karlsson Ofelia , Castilla Vallmanya Laura , Koutounidou Symela , Gerdes Patricia , Pandiloski Ninoslav , Douse Christopher H. , Jakobsson Johan
Published: June 2024

SVA (SINE (short interspersed nuclear element)–VNTR (variable number of tandem repeats)–Alu) retrotransposons remain active in humans and contribute to individual genetic variation. Polymorphic SVA alleles harbor gene regulatory potential and can cause genetic disease. However, how SVA insertions are controlled and functionally impact human disease is unknown. Here we dissect the epigenetic regulation and influence of SVAs in cellular models of X-linked dystonia parkinsonism (XDP), a neurodegenerative disorder caused by an SVA insertion at the TAF1 locus. We demonstrate that the KRAB zinc finger protein ZNF91 establishes H3K9me3 and DNA methylation over SVAs, including polymorphic alleles, in human neural progenitor cells. The resulting mini-heterochromatin domains attenuate the cis-regulatory impact of SVAs. This is critical for XDP pathology; removal of local heterochromatin severely aggravates the XDP molecular phenotype, resulting in increased TAF1 intron retention and reduced expression. Our results provide unique mechanistic insights into how human polymorphic transposon insertions are recognized and how their regulatory impact is constrained by an innate epigenetic defense system.
Allosteric competition and inhibition in AMPA receptors
Authors: Hale W. Dylan , Montaño Romero Alejandra , Gonzalez Cuauhtemoc U. , Jayaraman Vasanthi , Lau Albert Y. , Huganir Richard L. , Twomey Edward C.
Published: June 2024

Excitatory neurotransmission is principally mediated by α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)-subtype ionotropic glutamate receptors (AMPARs). Negative allosteric modulators are therapeutic candidates that inhibit AMPAR activation and can compete with positive modulators to control AMPAR function through unresolved mechanisms. Here we show that allosteric inhibition pushes AMPARs into a distinct state that prevents both activation and positive allosteric modulation. We used cryo-electron microscopy to capture AMPARs bound to glutamate, while a negative allosteric modulator, GYKI-52466, and positive allosteric modulator, cyclothiazide, compete for control of the AMPARs. GYKI-52466 binds in the ion channel collar and inhibits AMPARs by decoupling the ligand-binding domains from the ion channel. The rearrangement of the ligand-binding domains ruptures the cyclothiazide site, preventing positive modulation. Our data provide a framework for understanding allostery of AMPARs and for rational design of therapeutics targeting AMPARs in neurological diseases.
Raman scattering owing to magneto-polaron states in monolayer transition metal dichalcogenides
Authors: Trallero-Giner C. , Santiago-Pérez D. G. , Tkachenko D. V. , Marques G. E. , Fomin V. M.
Published: June 2024

Magneto-optical measurements are fundamental research tools that allow for studying the hitherto unexplored optical transitions and the related applications of topological two-dimensional (2D) transition metal dichalcogenides (TMDs). A theoretical model is developed for the first-order magneto-resonant Raman scattering in a monolayer of TMD. A significant number of avoided crossing points involving optical phonons in the magneto-polaron (MP) spectrum, a superposition of the electron and hole states in the excitation branches, and their manifestations in optical transitions at various light scattering configurations are unique features for these 2D structures. The Raman intensity reveals three resonant splittings of double avoided-crossing levels. The three excitation branches are present in the MP spectrum provoked by the coupling of the Landau levels in the conduction and valence bands via an out-of-plane $$A_1$$

A
1

-optical phonon mode. The energy gaps at the anticrossing points in the MP scattering spectrum are revealed as a function of the electron and hole optical deformation potential constants. The resonant MP Raman scattering efficiency profile allows for quantifying the relative contribution of the conduction and valence bands in the formation of MPs. The results obtained are a guideline for controlling MP effects on the magneto-optical properties of TMD semiconductors, which open pathways to novel optoelectronic devices based on 2D TMDs.
Comprehensive analysis of the editing window of C-to-T TALE base editors
Authors: Feola Maria , Pulicani Sylvain , Tkach Diane , Boyne Alex , Hong Robert , Mayer Louisa , Duclert Aymeric , Duchateau Philippe , Juillerat Alexandre
Published: June 2024

One of the most recent advances in the genome editing field has been the addition of “TALE Base Editors”, an innovative platform for cell therapy that relies on the deamination of cytidines within double strand DNA, leading to the formation of an uracil (U) intermediate. These molecular tools are fusions of transcription activator-like effector domains (TALE) for specific DNA sequence binding, split-DddA deaminase halves that will, upon catalytic domain reconstitution, initiate the conversion of a cytosine (C) to a thymine (T), and an uracil glycosylase inhibitor (UGI). We developed a high throughput screening strategy capable to probe key editing parameters in a precisely defined genomic context in cellulo, excluding or minimizing biases arising from different microenvironmental and/or epigenetic contexts. Here we aimed to further explore how target composition and TALEB architecture will impact the editing outcomes. We demonstrated how the nature of the linker between TALE array and split DddAtox head allows us to fine tune the editing window, also controlling possible bystander activity. Furthermore, we showed that both the TALEB architecture and spacer length separating the two TALE DNA binding regions impact the target TC editing dependence by the surrounding bases, leading to more restrictive or permissive editing profiles.
Association of systemic inflammatory indices with anthropometric measures, metabolic factors, and liver function in non-alcoholic fatty liver disease
Authors: Arefhosseini Sara , Aghajani Taha , Tutunchi Helda , Ebrahimi-Mameghani Mehrangiz
Published: June 2024

The present cross-sectional study aimed to explore the relationship between systemic inflammatory indices (SIIs) and anthropometric measures, metabolic, and liver function biomarkers in patients with non-alcoholic fatty liver disease (NAFLD). This study was carried out on 238 NAFLD patients with overweight or obesity, aged 18–55 years. Anthropometric measurements were done and body mass index (BMI), waist-to-hip ratio (WHR), and waist-to-height ratio (WHtR) were estimated. Metabolic factors including serum glucose, lipid profile, liver function biomarkers, and complete blood cell count were assessed after a 24-h fasting state. SIIs including the ratios of neutrophil to lymphocyte (NLR), monocytes to lymphocyte (MLR), platelet to lymphocyte (PLR), and monocytes to high-density lipoprotein cholesterol (MHR) were calculated. Results indicate that apart from PLR, all of the SIIs significantly changed by increasing steatosis severity (all p < 0.05). Moreover, changes in NLR showed a significant association with anthropometric indices including waist circumference (p = 0.032), BMI (p = 0.047), and WHtR (p = 0.002), as well as levels of fasting blood sugar (p = 0.045), triglycerides, (p = 0.025) and low-density lipoprotein cholesterol (p = 0.006). The findings also indicate the relations between lipid profile and all studied SIIs, notably MHR and MLR. All of the SIIs exhibited associations with some liver function indices as well. MHR was positively correlated with the metabolic risk factors of NAFLD while, oppositely, PLR was considered as a preventive marker of NAFLD.
Intelligent Bell facial paralysis assessment: a facial recognition model using improved SSD network
Authors: Shi Haiping , Fan Yinqiu , Zhang Yu , Li Xiaowei , Shu Yuling , Deng Xinyuan , Zhang Yating , Zheng Yunzi , Yang Jun
Published: June 2024

With the continuous progress of technology, the subject of life science plays an increasingly important role, among which the application of artificial intelligence in the medical field has attracted more and more attention. Bell facial palsy, a neurological ailment characterized by facial muscle weakness or paralysis, exerts a profound impact on patients’ facial expressions and masticatory abilities, thereby inflicting considerable distress upon their overall quality of life and mental well-being. In this study, we designed a facial attribute recognition model specifically for individuals with Bell’s facial palsy. The model utilizes an enhanced SSD network and scientific computing to perform a graded assessment of the patients’ condition. By replacing the VGG network with a more efficient backbone, we improved the model’s accuracy and significantly reduced its computational burden. The results show that the improved SSD network has an average precision of 87.9% in the classification of light, middle and severe facial palsy, and effectively performs the classification of patients with facial palsy, where scientific calculations also increase the precision of the classification. This is also one of the most significant contributions of this article, which provides intelligent means and objective data for future research on intelligent diagnosis and treatment as well as progressive rehabilitation.
Enhanced analysis of tabular data through Multi-representation DeepInsight
Authors: Sharma Alok , López Yosvany , Jia Shangru , Lysenko Artem , Boroevich Keith A. , Tsunoda Tatsuhiko
Published: June 2024

Tabular data analysis is a critical task in various domains, enabling us to uncover valuable insights from structured datasets. While traditional machine learning methods can be used for feature engineering and dimensionality reduction, they often struggle to capture the intricate relationships and dependencies within real-world datasets. In this paper, we present Multi-representation DeepInsight (MRep-DeepInsight), a novel extension of the DeepInsight method designed to enhance the analysis of tabular data. By generating multiple representations of samples using diverse feature extraction techniques, our approach is able to capture a broader range of features and reveal deeper insights. We demonstrate the effectiveness of MRep-DeepInsight on single-cell datasets, Alzheimer's data, and artificial data, showcasing an improved accuracy over the original DeepInsight approach and machine learning methods like random forest, XGBoost, LightGBM, FT-Transformer and L2-regularized logistic regression. Our results highlight the value of incorporating multiple representations for robust and accurate tabular data analysis. By leveraging the power of diverse representations, MRep-DeepInsight offers a promising new avenue for advancing decision-making and scientific discovery across a wide range of fields.
A dSPACE-based implementation of ANFIS and predictive current control for a single phase boost power factor corrector
Authors: Babes Badreddine , Latrèche Samia , Bouafassa Amar , Aissa Oualid , Badoud Abd Essalam , Khemliche Mabrouk , Bajaj Mohit , Zaitsev Ievgen
Published: June 2024

This paper presents an innovative control scheme designed to significantly enhance the power factor of AC/DC boost rectifiers by integrating an adaptive neuro-fuzzy inference system (ANFIS) with predictive current control. The innovative control strategy addresses key challenges in power quality and energy efficiency, demonstrating exceptional performance under diverse operating conditions. Through rigorous simulation, the proposed system achieves precise input current shaping, resulting in a remarkably low total harmonic distortion (THD) of 3.5%, which is well below the IEEE-519 standard threshold of 5%. Moreover, the power factor reaches an outstanding 0.990, indicating highly efficient energy utilization and near-unity power factor operation. To validate the theoretical findings, a 500 W laboratory prototype was implemented using the dSPACE ds1104 digital controller. Steady-state analysis reveals sinusoidal input currents with minimal THD and a power factor approaching unity, thereby enhancing grid stability and energy efficiency. Transient response tests further demonstrate the system’s robustness against load and voltage fluctuations, maintaining output voltage stability within an 18 V overshoot and a 20 V undershoot during load changes, and achieving rapid response times as low as 0.2 s. Comparative evaluations against conventional methods underscore the superiority of the proposed control strategy in terms of both performance and implementation simplicity. By harnessing the strengths of ANFIS-based voltage regulation and predictive current control, this scheme offers a robust solution to power quality issues in AC/DC boost rectifiers, promising substantial energy savings and improved grid stability. The results affirm the potential of the proposed system to set new benchmarks in power factor correction technology.
Circadian rhythm analysis using wearable-based accelerometry as a digital biomarker of aging and healthspan
Authors: Shim Jinjoo , Fleisch Elgar , Barata Filipe
Published: June 2024

Recognizing the pivotal role of circadian rhythm in the human aging process and its scalability through wearables, we introduce CosinorAge, a digital biomarker of aging developed from wearable-derived circadian rhythmicity from 80,000 midlife and older adults in the UK and US. A one-year increase in CosinorAge corresponded to 8–12% higher all-cause and cause-specific mortality risks and 3–14% increased prospective incidences of age-related diseases. CosinorAge also captured a non-linear decline in resilience and physical functioning, evidenced by an 8–33% reduction in self-rated health and a 3–23% decline in health-related quality of life score, adjusting for covariates and multiple testing. The associations were robust in sensitivity analyses and external validation using an independent cohort from a disparate geographical region using a different wearable device. Moreover, we illustrated a heterogeneous impact of circadian parameters associated with biological aging, with young (<45 years) and fast agers experiencing a substantially delayed acrophase with a 25-minute difference in peak timing compared to slow agers, diminishing to a 7-minute difference in older adults (>65 years). We demonstrated a significant enhancement in the predictive performance when integrating circadian rhythmicity in the estimation of biological aging over physical activity. Our findings underscore CosinorAge’s potential as a scalable, economic, and digital solution for promoting healthy longevity, elucidating the critical and multifaceted circadian rhythmicity in aging processes. Consequently, our research contributes to advancing preventive measures in digital medicine.
A culture method with berbamine, a plant alkaloid, enhances CAR-T cell efficacy through modulating cellular metabolism
Authors: Takayanagi Shin-ichiro , Chuganji Sayaka , Tanaka Masahiro , Wang Bo , Hasegawa Saki , Fukumoto Ken , Wasano Nariaki , Kakitani Makoto , Ochiai Nakaba , Kawai Yohei , Ueda Tatsuki , Ishikawa Akihiro , Kurimoto Yuko , Fukui Asami , Kamibayashi Sanae , Imai Eri , Kunisato Atsushi , Nozawa Hajime , Kaneko Shin
Published: June 2024

Memory T cells demonstrate superior in vivo persistence and antitumor efficacy. However, methods for manufacturing less differentiated T cells are not yet well-established. Here, we show that producing chimeric antigen receptor (CAR)-T cells using berbamine (BBM), a natural compound found in the Chinese herbal medicine Berberis amurensis, enhances the antitumor efficacy of CAR-T cells. BBM is identified through cell-based screening of chemical compounds using induced pluripotent stem cell-derived T cells, leading to improved viability with a memory T cell phenotype. Transcriptomics and metabolomics using stem cell memory T cells reveal that BBM broadly enhances lipid metabolism. Furthermore, the addition of BBM downregulates the phosphorylation of p38 mitogen-activated protein kinase and enhanced mitochondrial respiration. CD19-CAR-T cells cultured with BBM also extend the survival of leukaemia mouse models due to their superior in vivo persistence. This technology offers a straightforward approach to enhancing the antitumor efficacy of CAR-T cells.
Viscoelasticity of diverse biological samples quantified by Acoustic Force Microrheology (AFMR)
Authors: Bergamaschi Giulia , Taris Kees-Karel H. , Biebricher Andreas S. , Seymonson Xamanie M. R. , Witt Hannes , Peterman Erwin J. G. , Wuite Gijs J. L.
Published: June 2024

In the context of soft matter and cellular mechanics, microrheology - the use of micron-sized particles to probe the frequency-dependent viscoelastic response of materials – is widely used to shed light onto the mechanics and dynamics of molecular structures. Here we present the implementation of active microrheology in an Acoustic Force Spectroscopy setup (AFMR), which combines multiplexing with the possibility of probing a wide range of forces ( ~ pN to ~nN) and frequencies (0.01–100 Hz). To demonstrate the potential of this approach, we perform active microrheology on biological samples of increasing complexity and stiffness: collagen gels, red blood cells (RBCs), and human fibroblasts, spanning a viscoelastic modulus range of five orders of magnitude. We show that AFMR can successfully quantify viscoelastic properties by probing many beads with high single-particle precision and reproducibility. Finally, we demonstrate that AFMR to map local sample heterogeneities as well as detect cellular responses to drugs.
Benchmarking compound activity prediction for real-world drug discovery applications
Authors: Tian Tingzhong , Li Shuya , Zhang Ziting , Chen Lin , Zou Ziheng , Zhao Dan , Zeng Jianyang
Published: June 2024

Identifying active compounds for target proteins is fundamental in early drug discovery. Recently, data-driven computational methods have demonstrated promising potential in predicting compound activities. However, there lacks a well-designed benchmark to comprehensively evaluate these methods from a practical perspective. To fill this gap, we propose a Compound Activity benchmark for Real-world Applications (CARA). Through carefully distinguishing assay types, designing train-test splitting schemes and selecting evaluation metrics, CARA can consider the biased distribution of current real-world compound activity data and avoid overestimation of model performances. We observed that although current models can make successful predictions for certain proportions of assays, their performances varied across different assays. In addition, evaluation of several few-shot training strategies demonstrated different performances related to task types. Overall, we provide a high-quality dataset for developing and evaluating compound activity prediction models, and the analyses in this work may inspire better applications of data-driven models in drug discovery.
Direct probing of low-energy intra d-band transitions in gas-phase cobalt clusters
Authors: Kaw Kevin A. , Louwerse Rick J. , Bakker Joost M. , Lievens Peter , Janssens Ewald , Ferrari Piero
Published: June 2024

The interplay between constituent localized and itinerant electrons of metal clusters defines their physical and chemical properties. In turn, the electronic and geometrical structures are strongly entwined and exhibit strong size-dependent variations. Current understanding of low-energy excited states of metal clusters relies on stand-alone theoretical investigations and few comparisons with measured properties, since direct identification of low-lying states is lacking hitherto. Here, we report on the measurement of low-lying electronic transitions in cationic cobalt clusters using infrared photofragmentation spectroscopy. Broad and size-dependent absorption features were observed within 0.056 – 0.446 eV, well above the energies of the sharp absorption bands caused by cluster vibrations. Complementary time-dependent density functional theory calculations reproduce the main observed absorption features, providing direct evidence that they correspond to transitions between electronic states of mainly d-character, arising from the open d-shells of the Co atoms and the high spin multiplicity of the clusters.
Monolithic optical resonator for ultrastable laser and photonic millimeter-wave synthesis
Authors: Zhang Wei , Kittlaus Eric , Savchenkov Anatoliy , Iltchenko Vladimir , Yi Lin , Papp Scott B. , Matsko Andrey
Published: June 2024

Optical resonators are indispensable tools in optical metrology that usually benefit from an evacuated and highly-isolated environment to achieve peak performance. Even in the more sophisticated design of Fabry-Perot (FP) cavities, the material choice limits the achievable quality factors. For this reason, monolithic resonators are emerging as promising alternative to traditional designs, but their design is still at preliminary stage and far from being optimized. Here, we demonstrate a monolithic FP resonator with 4.5 cm3 volume and 2 × 105 finesse. In the ambient environment, we achieve 18 Hz integrated laser linewidth and 7 × 10−14 frequency stability measured from 0.08 s to 0.3 s averaging time, the highest spectral purity and stability demonstrated to date in the context of monolithic reference resonators. By locking two separate lasers to distinct modes of the same resonator, a 96 GHz microwave signals is generated with phase noise -100 dBc/Hz at 10 kHz frequency offset, achieving orders of magnitude improvement in the approach of photonic heterodyne synthesis. The compact monolithic FP resonator is promising for applications in spectrally-pure, high-frequency microwave photonic references as well as optical clocks and other metrological devices. ©2024. All rights reserved.
Accurate hyperfine tensors for solid state quantum applications: case of the NV center in diamond
Authors: Takács István , Ivády Viktor
Published: June 2024

The decoherence of point defect qubits is often governed by the electron spin-nuclear spin hyperfine interaction that can be parameterized by using ab inito calculations in principle. So far most of the theoretical works have focused on the hyperfine interaction of the closest nuclear spins, while the accuracy of the predictions for distinct nuclear spins is barely discussed. Here we demonstrate for the case of the NV center in diamond that the absolute relative error of the computed hyperfine parameters can exceed 100% using an industry standards first-principles code. To overcome this issue, we implement an alternative method and report on significantly improved hyperfine values with $${{{{{{{\mathcal{O}}}}}}}}$$
O
(1%) relative mean error at all distances. The provided accurate hyperfine data for the NV center enables high-precision simulation of NV quantum nodes for quantum information processing and positioning of nuclear spins by comparing experimental and theoretical hyperfine data.
Quasi-localization and Wannier obstruction in partially flat bands
Authors: Park Jin-Hong , Rhim Jun-Won
Published: June 2024

The localized nature of a flat band is understood by the existence of a compact localized eigenstate. However, the localization properties of a partially flat band, ubiquitous in surface modes of topological semimetals, have been unknown. We show that the partially flat band is characterized by a non-normalizable quasi-compact localized state (Q-CLS), which is compactly localized along several directions but extended in at least one direction. The partially flat band develops at momenta where normalizable Bloch wave functions can be obtained from a linear combination of the non-normalizable Q-CLSs. Outside this momentum region, a ghost flat band, unseen from the band structure, is introduced based on a counting argument. Then, we demonstrate that the Wannier function corresponding to the partially flat band exhibits an algebraic decay behavior. Namely, one can have the Wannier obstruction in a band with a vanishing Chern number if it is partially flat. Finally, we develop the construction scheme of a tight-binding model for a topological semimetal by designing a Q-CLS.
Acoustic metamaterials characterization via laser plasma sound sources
Authors: Kaleris Konstantinos , Kaniolakis-Kaloudis Emmanouil , Aravantinos-Zafiris Nikolaos , Katerelos Dionysios. T. G. , Dimitriou Vassilis M. , Bakarezos Makis , Tatarakis Michael , Mourjopoulos John , Sigalas Michail M. , Papadogiannis Nektarios A.
Published: June 2024

Phononic crystals and acoustic metamaterials are expected to become an important enabling technology for science and industry. Currently, various experimental methods are used for evaluation of acoustic meta-structures, such as impedance tubes and anechoic chambers. Here we present a method for the precise characterization of acoustic meta-structures that utilizes rapid broadband acoustic pulses generated by point-like and effectively massless laser plasma sound sources. The method allows for broadband frequency response and directivity evaluations of meta-structures with arbitrary geometries in multiple sound propagation axes while also enabling acoustic excitation inside the structure. Experimental results are presented from acoustic evaluations of various phononic crystals with band gaps in the audible range, notably also in the very low frequencies, validating the predictions of numerical models with high accuracy. The proposed method is expected to boost research and commercial adoption of acoustic metamaterials in the near future.
Geochemical constraints on ridge-plume interaction in the West Philippine Basin
Authors: Yan Quanshu , Yuan Long , Shi Xuefa
Published: June 2024

The West Philippine Basin is not only a back-arc basin resulting from the subduction of the paleo-plates, but it has also undergone modification due to intraplate processes. However, the interaction between intraplate processes and back-arc spreading processes remains unclear. In this study, we present geochemical compositions of basaltic lavas from various tectonic sites in the West Philippine Basin. Lavas from the Benham Rise and its adjacent seamount, as well as basement crust samples from the West Philippine Basin, are similar to oceanic island basalts and mid-oceanic ridge basalts, respectively. The lavas from the Central Basin Fault lie between the two aforementioned types. Based on the mixing modeling of geochemical data, morphological structure of the West Philippine Basin, and age data for lavas, we developed a conceptual model for the three-stage tectonic evolution, with the simultaneous influence of back-arc spreading and mantle plume processes.
Association of Life’s Simple 7 lifestyle metric with cardiometabolic disease-free life expectancy in older British men
Authors: Wang Qiaoye , Schmidt Amand Floriaan , Lennon Lucy T. , Papacosta Olia , Whincup Peter H. , Wannamethee Goya
Published: June 2024

Background

Cardiometabolic diseases (CMD), including myocardial infarction, stroke, and type 2 diabetes, are leading causes of disability and mortality globally, particularly for people at an older age. The impact of adhering to the Life’s Simple 7 (LS7) on the number of years an individual will live without CMD in older adults remains less studied.

Methods

This study included a cohort of 2662 British men aged 60–79 years free of CMD at baseline from the British Regional Heart Study (BRHS). Each LS7 factor (BMI, blood pressure, blood glucose, total cholesterol, smoking, physical activity, and diet) was categorized as poor, intermediate, or ideal, and a composite LS7 adherence was determined by summing the number of LS7 ideal levels achieved. Flexible parametric Royston–Parmar proportional-hazards model was applied to estimate CMD-free life expectancy.

Results

Here we show that compared to men with the lowest LS7 adherence [with 18.42 years (95% CI: 16.93, 19.90) of CMD-free life at age 60], men having an ideal LS7 adherence are estimated to gain an additional 4.37 years (95% CI: 2.95, 5.79) of CMD-free life. The CMD-free life gain benefits are consistent across social class groups of manual and non-manual workers. Among LS7 factors, achieving an ideal physical activity provides the largest CMD-free survival benefit: 4.84 years (95% CI: 3.37, 6.32) of additional CMD-free life compared with the physically inactive group.

Conclusions

Our study quantifies and highlights the benefits of adhering to the LS7 ideal levels for living a longer life without CMD in older adults.
Local hydrogen bonding environment induces the deprotonation of surface hydroxyl for continuing ammonia decomposition
Authors: Su Hui , Sun Jie , Li Donghui , Wei Jinjia
Published: June 2024

Local hydrogen bonding environment consisting of H2O and NH3 promotes the deprotonation of ObrH.
Metal–insulator–semiconductor photoelectrodes for enhanced photoelectrochemical water splitting
Authors: Wei Shice , Xia Xuewen , Bi Shuai , Hu Shen , Wu Xuefeng , Hsu Hsien-Yi , Zou Xingli , Huang Kai , Zhang David W. , Sun Qinqqing , Bard Allen J. , Yu Edward T. , Ji Li
Published: June 2024

Metal–insulator–semiconductor/MIS-based photoelectrochemical (PEC) water splitting provides a scalable and integrated platform to harness renewable solar energy for green hydrogen production.
Formation of secondary aerosol from emissions of a Euro 6d-compliant gasoline vehicle with a particle filter
Authors: Paul Andreas , Fang Zheng , Martens Patrick , Mukherjee Arya , Jakobi Gert , Ihalainen Mika , Kortelainen Miika , Somero Markus , Yli-Pirilä Pasi , Hohaus Thorsten , Czech Hendryk , Kalberer Markus , Sippula Olli , Rudich Yinon , Zimmermann Ralf , Kiendler-Scharr Astrid
Published: June 2024

The exhaust of a Euro 6d compliant car with a three-way catalyst and GPF preinstalled was studied. The GPF removed almost all primary particles, however oxidation of emitted VOCs such as toluene and xylene led to significant SOA formation.
Live chicken egg embryos as an alternative in vivo tumour model for deep surface enhanced Raman spectroscopy
Authors: McCabe Samantha M. , Gardiner Hannah , Mullen Calum , Wallace Gregory Q. , Shand Neil C. , Mullen Alexander B. , Horan Linda , Graham Duncan , Faulds Karen , Boyd Marie
Published: June 2024

SERS and SESORS for the detection and localisation of AuNPs in a live chick embryo tumour model.
Vinyl-pyrazole as a biomimetic acetaldehyde surrogate
Authors: Steiner Lorenz , Ćorović Miljan Z. , Dupé Antoine , Mösch-Zanetti Nadia C.
Published: June 2024

Acetaldehyde formation is mediated by a tungsten pyrazole complex via a vinyl intermediate and subsequent hydrolysis—a rare example of the reactivity of unsubstituted acetylene.
A universal electrochemical biosensor based on CRISPR/Cas12a and a DNA tetrahedron for ultrasensitive nucleic acid detection
Authors: Dong Jiangbo , Li Xinyao , Hu Wenxi , Liu Meilin , Hou Changjun , Hou Jingzhou , Yang Mei , Huo Danqun
Published: June 2024

Herein, a universal nucleic acid analysis platform was constructed to sensitively and accurately detect miRNA-155 and ctDNA using isothermal amplification-assisted CRISPR/Cas12a and DNA tetrahedral nanostructures (TDN) supported sensing interface.
Ammonia decomposition mediated at nitrogen vacancies on NaCl-type binary metal nitrides supporting transition metal nanoparticles
Authors: Miyazaki Masayoshi , Ogasawara Kiya , Takekoshi Yousuke , Miyashita Kazuki , Abe Hitoshi , Niwa Yasuhiro , Hosono Hideo , Kitano Masaaki
Published: June 2024

Nitrogen vacancies formed on NaCl-type binary transition metal nitrides and ammonia decomposition activity employing nitrides as supports can be understood in terms of the ionic radii of the metal cations.
Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters via an internal redox reaction/inverse electron-demand hetero-Diels–Alder reaction sequence
Authors: Sakai Dan , Kojima Tatsuhiro , Kawasaki-Takasuka Tomoko , Mori Keiji
Published: June 2024

Highly stereoselective synthesis of fused-heterocycles with multiple stereocenters via an internal redox reaction/inverse electron-demand hetero-Diels–Alder reaction sequence was achieved.
Avoiding pits on the energy landscape – alternative strategies for stabilizing nateglinide co-amorphous systems
Authors: Silva Joana F. C. , Jasiurkowska-Delaporte Małgorzata , Pereira Silva Pedro S. , Silva Manuela Ramos , Eusébio M. Ermelinda S. , Rosado Mário T. S.
Published: June 2024

Nateglinide is a prolific polymorph former. Cryo-milling and quench cooling were explored as alternatives to stabilize its co-amorphous systems with ranolazine and tryptophan, and their molecular dynamics of relaxation investigated.
External fields effectively switch the spin channels of transition metal-doped β-phase tellurene from first principles
Authors: Liu Bin , Xiong Jingxian , Kan Xuefen , Liu Sheng , Yang Zixin , Wang Wenjing , Zhao Xinxin , Yu Qiang , Zhu Sicong , Wu Jian
Published: June 2024

The band structure of transition metal-doped tellurene can be tuned by external fields. Magnetic anisotropy energy changes reflect strain responses. The strained magnetic tunnel junction shows the lattice change.
Computational screening of defective BC3-supported single-atom catalysts for electrochemical CO2 reduction
Authors: Li Renyi , Wang Caimu , Liu Yaozhong , Suo Chengxiang , Zhang Danyang , Zhang Jiao , Guo Wei
Published: June 2024

The electrochemical CO2 reduction reaction (eCO2RR) driven by renewable electricity offers a green and sustainable technology for synthesizing chemicals and managing global carbon balance.
A neural network potential energy surface of the Li3 system and quantum dynamics studies for the 7Li + 6Li2 → 6Li7Li + 6Li reaction
Authors: Zhang Jiapeng , Buren Bayaer , Li Yongqing
Published: June 2024

A high-precision global neural network potential energy surface is constructed for the Li3 system and quantum dynamics studies are performed for the 7Li + 6Li2 → 6Li7Li + 6Li reaction.
Polymer solubility mechanism in ionic liquids: 1H-NMR spectra and two-parameter hydrogen bonding analysis
Authors: Du Ming-Xuan , Yuan Ya-Fei , Zhang Jin-Ming , Liu Jia-Jian , Liu Chen-Yang
Published: June 2024

In the present work, δH2 was used as a probe to characterize the H-bonding interactions between polymers and ILs. The change of δH2 exhibits a good correlation with polymer solubility.
Is bismuth(iii) able to inhibit the activity of urease? Puzzling results in the quest for soluble urease complexes for agrochemical and medicinal applications
Authors: Contini Laura , Paul Arundhati , Mazzei Luca , Ciurli Stefano , Roncarati Davide , Braga Dario , Grepioni Fabrizia
Published: June 2024

Novel Bi(iii) complexes with improved solubility have been prepared and characterized for agrochemical and medicinal applications; enzymatic tests have been conducted in vitro using C. ensiformis urease and in vivo using cultures of H. pylori.
Enhanced dispersion of prussian blue via intercalation into layered double hydroxides for efficient solar seawater evaporation
Authors: Mo Weixin , Hu Qianqian , Guan Jun , Jiang Yu , Tian Weiliang , Li Huiyu , Leroux Fabrice , Feng Yongjun
Published: June 2024

Dispersion degree of Prussian blue in layered double hydroxides was enhanced by co-intercalation of sodium dodecyl sulfate, and then the rate of solar vapor generation is increased by 35.9%.
Organic emitters with near-unity photoluminescence to reinforce buried interface of perovskite solar cells and modules
Authors: Suo Zhen-Yang , Xiao Guo-Bin , Su Zhenhuang , Dong Runmin , Mu Xijiao , Gao Xingyu , Wu Yiying , Cao Jing
Published: June 2024

We developed an embedded perovskite-bottom interface reinforcement strategy employing cyano-based emitters with near-unity photoluminescence efficiency, to enhance the device performance and stability.
Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids
Authors: Emerson Matthew S. , Ogbodo Raphael , Margulis Claudio J.
Published: June 2024

This article presents a perspective on what we think are key topics related to the structure and structural dynamics of ILs and to some extent high-temperature molten salts.
Are we fitting data or noise? Analysing the predictive power of commonly used datasets in drug-, materials-, and molecular-discovery
Authors: Crusius Daniel , Cipcigan Flaviu , Biggin Philip C.
Published: June 2024

We derive maximum and realistic performance bounds based on experimental errors for commonly used machine learning (ML) datasets for regression and classification and compare them to the reported performance of ML models.
Quantitative depth profile analysis using short single pulse responses in LA-ICP-Q-MS experiments
Authors: Podsednik Maximilian , Fahrnberger Florian , Gibbs David Ken , Achleitner Birgit , Larisegger Silvia , Nelhiebel Michael , Hutter Herbert , Limbeck Andreas
Published: June 2024

The measurement of single pulse responses (SPRs) in LA-ICP-Q-MS measurements was optimized to analyze more than one m/z ratio.
Atomic spectrometry update: review of advances in elemental speciation
Authors: Clough Robert , Harrington Chris F. , Hill Steve J. , Madrid Yolanda , Tyson Julian F.
Published: June 2024

This review covers advances in elemental speciation by a range of coupled techniques, including HPLC-ICP-MS, HPLC-HG-AFS and GC-ICP-MS.
Discovery of first-in-class PROTACs targeting maternal embryonic leucine zipper kinase (MELK) for the treatment of Burkitt lymphoma
Authors: Sun Yonghui , Liu Xiao , He Qiyu , Zhang Naizhen , Yan Wei , Lv Xucheng , Wang Yanjie
Published: June 2024

Discovery of the first-in-class PROTACs targeting maternal embryonic leucine zipper kinase (MELK) for the treatment of Burkitt lymphoma.
The influence of different cations on the structure and spectral properties of Ln3+ tetrakis-complexes with the CAPh-type ligand dimethyl-N-trichloroacetylamidophosphate
Authors: Struhatska Mariia B. , Kariaka Nataliia S. , Dyakonenko Viktoriya V. , Shishkina Svitlana V. , Smola Sergii S. , Rusakova Nataliia V. , Gawryszewska Paula , Malta Oscar L. , Carneiro Neto Albano N. , Trush Viktor O. , Amirkhanov Volodymyr M.
Published: June 2024

The influence of the cation on the structure and properties of carbacylamidophosphate based tetrakis-complexes of lanthanides was studied. Density functional theory was applied for more detailed analysis of the complexes’ luminescence.
Differential insights into structural dynamics and photophysical behavior of two phosphorus-containing diesters
Authors: Perju Elena , Serbezeanu Diana , Homocianu Mihaela , Avadanei Mihaela , Vlad-Bubulac Tăchiţă
Published: June 2024

ATR-FTIR spectroscopy was first used as an important and complementary technique to investigate the phase transition of two phosphorus-containing diesters, representing a pioneering study on organophosphorus-based liquid crystals.
Five years of scanning electrochemical cell microscopy (SECCM): new insights and innovations
Authors: Gaudin Lachlan F. , Wright India R. , Harris-Lee Thom R. , Jayamaha Gunani , Kang Minkyung , Bentley Cameron L.
Published: June 2024

The technique of Scanning Electrochemical Cell Microscopy (SECCM) has been expanded in recent years, with new categories of materials being tested, implementation of new instrumental capabilities, and the rapid adoption of the technique worldwide.