bluuebunny/crossref_metadata_2025 huggingface dataset:
Deoxygenative photochemical alkylation of secondary amides enables a streamlined synthesis of substituted amines
Authors: Pulcinella Antonio , Bonciolini Stefano , Stuhr Robin , Diprima Damiano , Tran Minh Thao , Johansson Magnus , von Wangelin Axel Jacobi , Noël Timothy
Published: January 2025

Secondary amines are vital functional groups in pharmaceuticals, agrochemicals, and natural products, necessitating efficient synthetic methods. Traditional approaches, including N-monoalkylation and reductive amination, suffer from limitations such as poor chemoselectivity and complexity. Herein, we present a streamlined deoxygenative photochemical alkylation of secondary amides, enabling the efficient synthesis of α-branched secondary amines. Our method leverages triflic anhydride-mediated semi-reduction of amides to imines, followed by a photochemical radical alkylation step. This approach broadens the synthetic utility of amides, facilitating late-stage modifications of drug-like molecules and the synthesis of saturated N-substituted heterocycles. The pivotal role of flow technology in developing a scalable and robust process underscores the practicality of this method, significantly expanding the organic chemist’s toolbox for complex amine synthesis.
Catalytic efficiency of GO-PANI nanocomposite in the synthesis of N-Aryl-1,4-Dihydropyridine and hydroquinoline derivatives
Authors: Ghafuri Hossein , keshvari Moghadaseh , Eshrati Fatemeh , Hanifehnejad Peyman , Emami Atefeh , Zand Hamid Reza Esmaili
Published: January 2025

In this research, graphene oxide-polyaniline (GO-PANI) nanocomposite was successfully synthesized and its catalytic performance was evaluated for the synthesis of N-aryl-1,4-dihydropyridine (1,4-DHP) and hydroquinoline derivatives. The GO nanosheets were prepared using the Hummers’ method, and in-situ polymerization of aniline was conducted with ammonium persulfate (APS) serving as the polymerization initiator. The synthesized nanocomposite demonstrated notable efficiency, achieving yields of 80–94% for 1,4-DHP derivatives and 84–96% for hydroquinoline derivatives. The GO-PANI nanocomposite was thoroughly characterized by various techniques, including Fourier Transforms Infrared spectroscopy (FT-IR), Field Emission Scanning Electron Microscopy (FE-SEM), X-ray Diffraction analysis (XRD), Thermogravimetric analysis (TGA), and Energy Dispersive X-ray spectroscopy (EDS), all of which confirmed the successful synthesis of the nanocomposite. Furthermore, after ten cycles of reusability testing, the nanocomposite retained its high catalytic performance with no significant degradation. This findings indicate that the GO-PANI nanocomposite is a promising non-metal catalyst for the synthesis of N-aryl-1,4-dihydropyridine and hydroquinoline derivatives.
A comparative machine learning study of schizophrenia biomarkers derived from functional connectivity
Authors: Shevchenko Victoria , Benn R. Austin , Scholz Robert , Wei Wei , Pallavicini Carla , Klatzmann Ulysse , Alberti Francesco , Satterthwaite Theodore D. , Wassermann Demian , Bazin Pierre-Louis , Margulies Daniel S.
Published: January 2025

Functional connectivity holds promise as a biomarker of schizophrenia. Yet, the high dimensionality of predictive models trained on functional connectomes, combined with small sample sizes in clinical research, increases the risk of overfitting. Recently, low-dimensional representations of the connectome such as macroscale cortical gradients and gradient dispersion have been proposed, with studies noting consistent gradient and dispersion differences in psychiatric conditions. However, it is unknown which of these derived measures has the highest predictive capacity and how they compare to raw functional connectivity specifically in the case of schizophrenia. Our study evaluates which connectome features derived from resting state functional MRI — functional connectivity, gradients, or gradient dispersion — best identify schizophrenia. To this end, we leveraged data of 936 individuals from three large open-access datasets: COBRE, LA5c, and SRPBS-1600. We developed a pipeline which allows us to aggregate over a million different features and assess their predictive potential in a single, computationally efficient experiment. We selected top 1% of features with the largest permutation feature importance and trained 13 classifiers on them using 10-fold cross-validation. Our findings indicate that functional connectivity outperforms its low-dimensional derivatives such as cortical gradients and gradient dispersion in identifying schizophrenia (Mann–Whitney test conducted on test accuracy: connectivity vs. 1st gradient: U = 142, p < 0.003; connectivity vs. neighborhood dispersion: U = 141, p = 0.004). Additionally, we demonstrated that the edges which contribute the most to classification performance are the ones connecting primary sensory regions. Functional connectivity within the primary sensory regions showed the highest discrimination capabilities between subjects with schizophrenia and neurotypical controls. These findings along with the feature selection pipeline proposed here will facilitate future inquiries into the prediction of schizophrenia subtypes and transdiagnostic phenomena.
Observation of magnetic skyrmion lattice in Cr0.82Mn0.18Ge by small-angle neutron scattering
Authors: Ukleev Victor , Samanta Tapas , Utesov Oleg I. , White Jonathan S. , Caron Luana
Published: January 2025

Incommensurate magnetic phases in chiral cubic crystals are an established source of topological spin textures such as skyrmion and hedgehog lattices, with potential applications in spintronics and information storage. We report a comprehensive small-angle neutron scattering (SANS) study on the B20-type chiral magnet Cr
$$_{0.82}$$
Mn
$$_{0.18}$$
Ge, exploring its magnetic phase diagram and confirming the stabilization of a skyrmion lattice under low magnetic fields. Our results reveal a helical ground state with a decreasing pitch from 40 to 35 nm upon cooling, and a skyrmion phase stable in applied magnetic fields of 10–30 mT, and over an unusually wide temperature range for chiral magnets of 6 K (
$$\sim T_\text {C}/2< T < T_\text {C}$$
,
$$T_\text {C}=13$$
K). The skyrmion lattice forms a standard two-dimensional hexagonal coordination that can be trained into a single domain, distinguishing it from the three-dimensional hedgehog lattice observed in MnGe-based systems. Additionally, we demonstrate the persistence of a metastable SkL at 2 K, even at zero field. These findings advance our understanding of magnetic textures in Cr-based B20 compounds, highlighting Cr0.82Mn0.18Ge as a promising material for further exploration in topological magnetism.
Vehicle speed measurement method using monocular cameras
Authors: Lian Hao , Li Meian , Li Ting , Zhang Yongan , Shi Yanyu , Fan Yikun , Yang Wenqian , Jiang Huilin , Zhou Peng , Wu Haibo
Published: January 2025

This paper proposes a method for fast and accurate vehicle speed measurement based on a monocular camera. Firstly, by establishing a new camera imaging model, the calibration method for variable focal lengths is optimized, simplifying the transformation process between the four coordinate systems in traditional camera imaging models, and the method does not need to restore the pixel coordinates to dedistortion. Secondly, based on the camera imaging model, a two-dimensional positioning algorithm is proposed. By leveraging the characteristics of the speed measurement problem, the complex three-dimensional positioning problem is simplified into a two-dimensional model, reducing the overall computational complexity of the positioning problem. Finally, the algorithm is combined with You Only Look Once version 7 (YOLOv7) and Deep Simple Online and Realtime Tracking (DeepSORT) algorithms, integrating multiple model structures to optimize the network, achieving precise multi-target speed measurement. Experiments show that under frame-by-frame measurement conditions, the minimum and average accuracies of this method reach 95.1% and 97.6%, respectively. Compared with other methods, it has significant advantages in speed measurement accuracy and computational efficiency. Therefore, this research outcome is expected to play an important role in intelligent transportation systems and road safety management.
Research on the improvement method of imbalance of ground penetrating radar image data
Authors: Cao Ligang , Liu Lei , Lu Congde , Chen Ruimin
Published: January 2025

Ground Penetrating Radar (GPR) has been widely used to detect highway pavement structures. In recent years, deep learning techniques have achieved significant success in image recognition, which is potentially relevant for interpreting ground-penetrating radar data. This is because the various types of damage develop at different levels and in different quantities. So the number of datasets of various types of road injuries is not balanced. This leads to poor accuracy of deep learning for injury classification. And the cost of collecting a large amount of data in the field is higher. The aim of this paper is to improve classification accuracy at a lower cost relative to field collection, we propose a damage data expansion method based on generative adversarial network, which consists of encoder and a generative adversarial network. We have made a number of improvements to the generator and discriminator, as well as to the newly added encoder. All of these improvements have improved the generation results in terms of metrics. So that the network can stably generate damage samples with a small number of samples to improve the classification network’s accuracy. The effect on accuracy by varying the proportions of different kinds of samples and traditional expansion methods is also explored. The improvement of the classification network accuracy and FlD metrics illustrates the better performance of the proposed method.
Unraveling the distinctive gut microbiome of khulans (Equus hemionus hemionus) in comparison to their drinking water and closely related equids
Authors: Jarquín-Díaz Víctor Hugo , Dayaram Anisha , Soilemetzidou Eirini S. , Desvars-Larrive Amelie , Bohner Julia , Buuveibaatar Bayarbaatar , Kaczensky Petra , Walzer Chris , Greenwood Alex D. , Löber Ulrike
Published: January 2025

The microbial composition of host-associated microbiomes is influenced by co-evolutionary interactions, host genetics, domestication, and the environment. This study investigates the contribution of environmental microbiota from freshwater bodies to the gastrointestinal microbiomes of wild khulans (Equus hemionus hemionus, n = 21) and compares them with those of captive khulans (n = 12) and other equids—Przewalski’s horse (n = 82) and domestic horse (n = 26). Using PacBio technology and the LotuS pipeline for 16S rRNA gene sequencing, we analyze microbial diversity and conduct differential abundance, alpha, and beta diversity analyses. Results indicate limited microbial sharing between wild khulans and their waterhole environments, suggesting minimal environmental influence on their gut microbiomes and low levels of water contamination by khulans. Wild khulans exhibit greater microbial diversity and richness compared to captive ones, likely due to adaptations to the harsh nutritional conditions of the Gobi desert. Conversely, captive khulans show reduced microbial diversity, potentially affected by dietary changes during captivity. These findings highlight the significant impact of environment and lifestyle on the gut microbiomes of equids.
Impact of visual presentation of atherosclerotic carotid plaque on cardiovascular risk profile using mHealth technologies
Authors: Ullrich Greta , Bäuerle Alexander , Jahre Lisa Maria , Paldán Katrin , Rosemeyer Jana , Kalaitzidis Chiara , Rammos Christos , Teufel Martin , Rassaf Tienush , Lortz Julia
Published: January 2025

This randomized, controlled trial evaluated the impact of plaque visualization combined with daily tasks on cardiovascular risk profile and included 240 participants with coronary arterial disease. The intervention group received the PreventiPlaque app during the 12-month study period in addition to standard care. The app contained daily tasks that promoted lifestyle modifications and adherence to prescribed medication. It included ultrasound images of participants´ individual carotid plaque, which were updated regularly. The impact of plaque visualization and personalized app usage was evaluated, using a change in the SCORE2 as a primary endpoint. In the intervention group, the SCORE2 was significantly lower after the study period (t(120) = 6.43, p
adj < 0.001, d
RM = 0.58). This demonstrates the efficacy of the PreventiPlaque app in supporting lifestyle modifications and medication adherence. These findings suggest that personalized mHealth interventions in combination with visual risk communication are valuable tools in secondary prevention. Trial Registration: The study was registered at ClinicalTrials.gov under the identifier NCT05096637 on 27 October 2021 and was approved by the local ethics committee of the University of Duisburg-Essen (20-9157-BO).
Noise-augmented chaotic Ising machines for combinatorial optimization and sampling
Authors: Lee Kyle , Chowdhury Shuvro , Camsari Kerem Y.
Published: January 2025

Ising machines are hardware accelerators for combinatorial optimization and probabilistic sampling, using stochasticity to explore spin configurations and avoid local minima. We refine the previously proposed coupled chaotic bits (c-bits), which operate deterministically, by introducing noise. This improves performance in combinatorial optimization, achieving algorithmic scaling comparable to probabilistic bits (p-bits). We show that c-bits follow the quantum Boltzmann law in a 1D transverse field Ising model. Furthermore, c-bits exhibit critical dynamics similar to p-bits in 2D Ising and 3D spin glass models. Finally, we propose a noise-augmented c-bit approach via the adaptive parallel tempering algorithm (APT), which outperforms fully deterministic c-bits running simulated annealing. Analog Ising machines with coupled oscillators could draw inspiration from our approach, as running replicas at constant temperature eliminates the need for global modulation of coupling strengths. Ultimately, mixing stochasticity with deterministic c-bits yields a powerful hybrid computing scheme that can offer benefits in asynchronous, massively parallel hardware implementations.
First principles investigation of electron mobility enhancement of β-Ga2O3 doped with indium
Authors: Zhang Leng , Huang Jiajian , Shen Yuhao , Liu Fei , Zhang Pengzhan , Wang Danbei , Wu Kongping , Wei Yaowei
Published: January 2025

The electron mobility of In–Ga2O3 are the highest among Ga2O3, Al–Ga2O3 and In–Ga2O3.
A Zn2-supported B7 wheel structure for the global minimum of the B7Zn2 cluster
Authors: Rodríguez-Kessler Peter L. , Muñoz-Castro Alvaro
Published: January 2025

In this work, we employ density functional theory (DFT) to explore the structure of boron clusters doped with two zinc atoms (B7Zn2 or Zn2B7).
Worth your sweat: wearable microfluidic flow rate sensors for meaningful sweat analytics
Authors: Ursem R. F. R. , Steijlen A. , Parrilla M. , Bastemeijer J. , Bossche A. , De Wael K.
Published: January 2025

This review focuses on recent microfluidic flow rate sensing methods for reliable sweat sensing, covering physiological relevance and providing technical insights.
Integrating impedance cytometry with other microfluidic tools towards multifunctional single-cell analysis platforms
Authors: Righetto Marta , Brandi Cristian , Reale Riccardo , Caselli Federica
Published: January 2025

We discuss the interesting and various opportunities arising from the synergistic integration of impedance cytometry with other microfluidic tools for single-cell analysis.
Expanding the chemical space for antiviral discovery: the potential of twistenediones
Authors: Jaafar Aida , Guerra-González Daniel , Pascual Ana , Ortuño Ana M. , Cruz Carlos M. , Cuerva Juan M. , Bueno Paula , Castro Victoria , Garaigorta Urtzi , Gastaminza Pablo , Adrio Javier , Ribagorda María
Published: January 2025

This study highlights the potential of twistane-like structures as antivirals against SARS-CoV-2. Chiral differences in enantiomer efficacy highlight new research opportunities in the 3D space of this chiral cage compounds.
High-refractive-index 2D photonic structures for robust low-threshold multiband lasing
Authors: Conde-Rubio Ana , Deop-Ruano Juan R. , Cerdán Luis , Manjavacas Alejandro , Mihi Agustín
Published: January 2025

A scalable 2D photonic architecture coated with a high-refractive-index dielectric enables robust, low-threshold multiband lasing. Metal-free and fabrication-friendly, this strategy advances nanophotonic integration in optical devices.
Observation of the anomalous Hall effect in proximity coupled Cr2Ge2Te6/graphene heterostructures
Authors: Yao S. , Ye L. H. , Liu C. , Liu Z. , Kang N. , Xu H. Q. , Liao J. H.
Published: January 2025

In heterostructures of Cr2Ge2Te6 (CGT)/graphene, the anomalous Hall effect is clearly observed through experiments, which is caused by the spin polarization in graphene induced by the magnetic proximity effect.
Superconductivity in o-MAX phases
Authors: Keivanloo Mohammad , Sandoghchi Mohammad , Mohammadizadeh Mohammad Reza , Kawamura Mitsuaki , Raebiger Hannes , Hongo Kenta , Maezono Ryo , Khazaei Mohammad
Published: January 2025

We performed a first-principles study to identify new superconductors within the o-MAX phase family M2M′AlC. Our investigation resulted in the discovery of 22 stable o-MAX phases, of which 16 are new superconducting variants.
Defect passivation engineering of chalcogenide quantum dots via in situ fluorination treatment
Authors: Sun Zhe , Kong Jiahua , Hou Qinggang , Huang Yixiao , Wang Keke , Huang Shengyun , Wang Jiuxing , Tang Jianguo , Du Zhonglin
Published: January 2025

Efficient carrier transport through reducing the traps in chalcogenide quantum dots (QDs) is crucial for their application in optoelectronic devices.
Preparation of sandwich-structured V6O13via direct current magnetron sputtering for high-capacity zinc-ion batteries
Authors: Zhao Yun , Feng Kai , Xv Qi , Qin Yanfang , Song Siyue , Liu Zhiwei , Wang Xuejin
Published: January 2025

In this study, sandwich-structured vanadium oxide (V6O13) was prepared and employed as the cathode for zinc-ion batteries (ZIBs). It achieved a specific capacity of 550 mA h g−1 at 100 mA g−1, with a coulombic efficiency maintained at 100%.
Unravelling the origin of strong non-reciprocal chiroptical features in thin films of a chiral diketopyrrolo[3,4-c]pyrrole dye
Authors: Albano Gianluigi , Bertuolo Marco , Zinna Francesco , Taddeucci Andrea , Jávorfi Tamás , Hussain Rohanah , Farinola Gianluca M. , Pescitelli Gennaro , Punzi Angela , Siligardi Giuliano , Di Bari Lorenzo
Published: January 2025

A chiral bis-anthracenyl-DPP dye was studied via ab initio calculations, microscopy and synchrotron radiation Mueller matrix polarimetry imaging to quantify the linear contributions responsible for the strong non-reciprocal features in thin films.
FeCl3-catalyzed oxidative diselenylation of pyrrole-tethered indoles
Authors: Zhou Jing , Sheng Xue , Jiang Man , Cui Hai-Lei
Published: January 2025

A mild and efficient FeCl3-catalyzed oxidative diselenylation of pyrrole-tethered indoles has been achieved by using RSeSeR as the source of selenium and m-chloroperoxybenzoic acid (mCPBA) as the oxidant (yields of 17–70%).
Atmospheric oxygen mediated oxidation coupling of primary and secondary alcohols: synthesis of pyrazolo[1,5-a]pyrimidines
Authors: Guo Xiaoshuang , Zhao Peng , Jiang Chengjun , Ma Yongmin , Miao Maozhong
Published: January 2025

A metal-free oxygen-mediated coupling of primary and secondary alcohols for the synthesis of N-heterocycles has been developed.
Monolithic green-sensitive photodetectors enabled by a ZnSnN2/GaN nanorods/silicon double heterojunction
Authors: Kim Jeong Hyeon , Hwang Juchan , Yoon Soon Joo , Kim Jongmin , Lee Yoon Kyeung , Park Kwangwook , Lee Han Eol
Published: January 2025

Monolithic green-sensitive photodetectors (PDs) showed superior green sensitivity over single heterojunction-based PDs. The spectral-filtering effect significantly enhanced sensitivity, resulting in a 98-fold improvement.
Bi2MO6 (M = Mo, W) Aurivillius oxides for efficient photocatalytic N2-to-NH3 conversion: a perspective review
Authors: Huang Xin , Soomro Razium Ali , Shen Huidong , Guo Li , Yang Chunming , Wang Danjun
Published: January 2025

This summary describes and elucidates an enhanced strategy for photocatalytic nitrogen fixation over Bi2MO6 (M = Mo, W)-based catalysts and points out the development prospects of photocatalytic nitrogen fixation.
Tuning luminescence in gold(i)-phosphine complexes: structural, photophysical, and theoretical insights
Authors: Atencio Anyie P. , Burguera Sergi , Zhuchkov George , de Aquino Araceli , Ward Jas S. , Rissanen Kari , Lima João Carlos , Angurell Inmaculada , Frontera Antonio , Rodríguez Laura
Published: January 2025

Experimental and theoretical insights reveal how chromophore positioning and non-covalent interactions in gold(i)-phosphine complexes influence emission properties, enabling the design of advanced materials.
Mastering Palladium Catalyzed Cross-Coupling Reactions: The Critical Role of In Situ Pre-catalyst Reduction Design.
Authors: Fantoni Tommaso , Palladino Chiara , Grigolato Riccardo , Muzzi Beatrice , Ferrazzano Lucia , Tolomelli Alessandra , Cabri Walter
Published: January 2025

Palladium catalyzed cross coupling reactions are among the most used methods for carbon-carbon bond formation in the agrochemical and pharmaceutical segments. The key step common to all methodologies based on...
Copper-catalyzed Buchner reaction and phenyl cyclopropanation through diyne cyclization
Authors: Li Tong , He Jia-Juan , Fan Kai-Yu , Ye Long-Wu , Zhou Bo , Zhu Xin-Qi
Published: January 2025

A copper-catalyzed Buchner reaction via diyne cyclization is disclosed, affording bicycle-fused cycloheptatrienes in high yields, while norcaradienes can be selectively produced by substrate control via a phenyl cyclopropanation reaction.
Exploring sesquiterpene lactones: structural diversity and antiviral therapeutic insights
Authors: Amen Yhiya , Abdelwahab Gehad , Heraiz Ahmed A. , Sallam Mahmoud , Othman Ahmed
Published: January 2025

Sesquiterpene lactones (SLs) are a structurally diverse group of secondary metabolites primarily produced by plants, particularly within the Asteraceae family.
Exploiting the inherent promiscuity of the acyl transferase of the stambomycin polyketide synthase for the mutasynthesis of analogues
Authors: SU Li , Souaibou Yaouba , Hôtel Laurence , Jacob Christophe , Grün Peter , Shi Yan-Ni , Chateau Alicia , Pinel Sophie , Bode Helge , Aigle Bertrand , Weissman Kira
Published: January 2025

The polyketide specialized metabolites of bacteria are attractive targets for generating analogues, with the goal of improving their pharmaceutical properties. Here, we aimed to produce C-26 derivatives of the giant...
Exploiting spatial isomerism to modulate the assembled phase and rheological response of compositionally identical sugar-based surfactants
Authors: Poon Jia-Fei , Cabezón Alfonso , Gulotta Alessandro , Mahmoudi Najet , Ulvenlund Stefan , Garcia-Fandiño Rebeca , Sanchez-Fernandez Adrian
Published: January 2025

The modulation of spatial isomerism of sugar-based surfactants enables tailoring their assembly behaviour and the macroscopic response, allowing the development of a variety of functions without altering the chemical composition of the system.
Fmoc-conjugated dipeptide-based hydrogels and their pH-tuneable behaviour
Authors: Kuila Soumen , Misra Souvik , Saha Riya , Ghosh Laboni , Singh Pijush , Ghosh Anamika , Reddy Kolimi Prashanth , Pandit Subhradip , Ganguly Debabani , Datta Pallab , Bindu Samik , Nandi Gouranga , Samai Suman , Nanda Jayanta
Published: January 2025

Fmoc-dipeptide-based thixotropic, injectable, and biocompatible hydrogels were developed. Hydrogel properties were highly dependent on the pH of the solution.
Thermally enhanced substrate design for flexible thermoelectric devices via ultrasonic welding
Authors: Wang Yuting , Yang Dongwang , Li Dan , Lyu Jianan , Liu Yutian , Zhang Mingqi , Gou Weijie , Gao Yunfei , Zhang Zinan , Li Chenyang , Yan Yonggao , Xiao Yong , Tang Xinfeng
Published: January 2025

A laminated PI film and silicone gel pad substrate was ultrasonically welded, creating a high-performance and skin-conformable f-TED with intelligent thermal management for smart wearables.
A fiber-shaped ultrasonic transducer by designing a flexible epoxy/nano-zirconia composite as an acoustic matching layer
Authors: Wu Jiaqi , Zhang Yichi , Liu Yue , Zheng Yuanyuan , Xu Kailiang , Chen Peining , Peng Huisheng
Published: January 2025

A fiber-shaped ultrasonic transducer is presented by designing flexible epoxy/nano-zirconia composite as acoustic matching layer. It showed high sensitivity and wide bandwidth, and could be woven into textile to measure carotid artery diameter.
X-ray luminescent metal–organic frameworks: design strategies and functional applications
Authors: Liang Yuan , Zhu Jun-Zhe , Jin Sheng-Yu , Meng Ya-Ru , Li Shu-Fan , Zuo Jing-Lin , Zhang Gen , Su Jian
Published: January 2025

This review focuses on the design strategies, structure–function relationships, and recent advancements of MOF-based X-ray scintillators utilized in high-sensitivity and high-resolution X-ray detectors, flexible imaging, and X-ray radiation therapy.
Stoichiometric effects on bulk stress relaxation to enhance reprocessability in covalent adaptable networks
Authors: Cho Jaehyun , Ghosh Santanu , Nandi Mridula , Jeon Heejoon , Yue Liang , Qi H. Jerry , Finn M. G. , Brettmann Blair
Published: January 2025

We explored the effect of stoichiometry variation in CAN on bulk relaxation speed and mechanical integrity over thermal reprocessing.
Nucleic acid joining enzymes: biological functions and synthetic applications beyond DNA
Authors: Blackstock Chelsea , Walters-Freke Caitlin , Richards Nigel , Williamson Adele
Published: January 2025

DNA-joining by ligase and polymerase enzymes has provided the foundational tools for generating recombinant DNA and enabled the assembly of gene and genome-sized synthetic products. Xenobiotic nucleic acid (XNA) analogues of DNA and RNA with alternatives to the canonical bases, so-called ‘unnatural’ nucleobase pairs (UBP-XNAs), represent the next frontier of nucleic acid technologies, with applications as novel therapeutics and in engineering semi-synthetic biological organisms. To realise the full potential of UBP-XNAs, researchers require a suite of compatible enzymes for processing nucleic acids on a par with those already available for manipulating canonical DNA. In particular, enzymes able to join UBP-XNA will be essential for generating large assemblies and also hold promise in the synthesis of single-stranded oligonucleotides. Here, we review recent and emerging advances in the DNA-joining enzymes, DNA polymerases and DNA ligases, and describe their applications to UBP-XNA manipulation. We also discuss the future directions of this field which we consider will involve two-pronged approaches of enzyme biodiscovery for natural UBP-XNA compatible enzymes, coupled with improvement by structure-guided engineering.
Greasing the wheels of inflammasome formation: regulation of NLRP3 function by S-linked fatty acids
Authors: Williams Daniel M. , Peden Andrew A.
Published: January 2025

NLRP3 is an inflammasome seeding pattern recognition receptor that initiates a pro-inflammatory signalling cascade in response to changes in intracellular homeostasis that are indicative of bacterial infection or tissue damage. Several types of post-translational modification (PTM) have been identified that are added to NLRP3 to regulate its activity. Recent progress has revealed that NLRP3 is subject to a further type of PTM, S-acylation (or palmitoylation), which involves the reversible addition of long-chain fatty acids to target cysteine residues by opposing sets of enzymes. This review provides an overview of recent studies that have identified S-acylation as an important modifier of NLRP3 function. The essential role of S-acylation in the recruitment of NLRP3 to intracellular membranes and the consequences of S-acylation-dependent membrane recruitment on NLRP3 localisation and activation are discussed in detail.
Not All Planes Have Propellers: Using Context Variability to Treat Word Learning in Late Talkers With the Vocabulary Acquisition and Usage for Late Talkers Protocol
Authors: Alt Mary , Mettler Heidi M. , Schiff Elissa S. , Evans-Reitz Nora , Burton Rebecca , Cretcher Sarah R. , Staib Allison
Published: January 2025

Purpose:

The purpose of this study was to determine if the Vocabulary Acquisition and Usage for Late Talkers (VAULT) intervention could be efficaciously applied to a new treatment target: words a child neither understood nor said. We also assessed whether the type of context variability used to encourage semantic learning (i.e., action or object) would affect learning outcomes.

Method:

Nineteen primarily English-speaking late-talking toddlers received 8 weeks of VAULT intervention. They were quasirandomly assigned to a condition that highlighted either object or action variability. Individual effect sizes were calculated for target (treated) and control (not treated) words for each child. These were combined to assess group-level comparisons of treatment efficacy and treatment conditions. Generalization of the word-learning ability was assessed by comparing rates of learning on a vocabulary checklist prior to and during intervention. Bayesian statistics (e.g.,
t
tests, analysis of variance) were used for the analyses.

Results:

There was strong evidence for a treatment effect showing that children produced more target than control words and moderate evidence that they understood more target than control words. There was strong evidence for generalization. Children learned an average of 6.8 words per week during treatment. There was anecdotal evidence for no difference between treatment conditions.

Conclusions:

VAULT, with a focus on context variability, can be used efficaciously to teach children to say words they do not understand at the start of treatment. The effects were most pronounced in the generalization data. Additionally, children were able to learn later-acquired words.

Supplemental Material:

https://doi.org/10.23641/asha.28200074
A fast surface‐defect detection method based on Dense‐YOLO network
Authors: Gao Fengqiang , Zhu Qingyuan , Shao Guifang , Su Yukang , Yang Jianbo , Yu Xinyue
Published: January 2025

Efficient detection of surface defects is primary for ensuring product quality during manufacturing processes. To enhance the performance of deep learning‐based methods in practical applications, the authors propose Dense‐YOLO, a fast surface defect detection network that combines the strengths of DenseNet and you only look once version 3 (YOLOv3). The authors design a lightweight backbone network with improved densely connected blocks, optimising the utilisation of shallow features while maintaining high detection speeds. Additionally, the authors refine the feature pyramid network of YOLOv3 to increase the recall of tiny defects and overall positioning accuracy. Furthermore, an online multi‐angle template matching technique is introduced based on normalised cross‐correlation to precisely locate the detection area. This refined template matching method not only accelerates detection speed but also mitigates the influence of the background. To validate the effectiveness of our enhancements, the authors conduct comparative experiments across two private datasets and one public dataset. Results show that Dense‐YOLO outperforms existing methods, such as faster R‐CNN, YOLOv3, YOLOv5s, YOLOv7, and SSD, in terms of mean average precision (mAP) and detection speed. Moreover, Dense‐YOLO outperforms networks inherited from VGG and ResNet, including improved faster R‐CNN, FCOS, M2Det‐320 and FRCN, in mAP.
Influence of maleic anhydride grafting on the positive temperature coefficient effect of semi‐conductive composites and space charge injection to XLPE insulation
Authors: Zhang Chengcheng , Wang Sen , Zhao Hong , Chen Minghua , Wang Xuan , Chi Xiaohong
Published: January 2025

To suppress the resistivity positive temperature coefficient (PTC) effect of ethylene‐butyl acrylate copolymer (EBA)‐based semi‐conductive shielding layer and the injection of charge carriers to insulation layer, the polar molecule maleic anhydride (MAH) is grafted onto EBA macromolecules by melt blending and thermal grafting. The resistivity temperature stability of the grafted semi‐conductive composites, as well as the space charge distribution and direct current (DC) breakdown characteristics of cross‐linked polyethylene (XLPE) insulation using the composites as the electrode is investigated. The results show that MAH grafting can significantly reduce the volume resistivity of semi‐conductive composites, especially at a higher temperature, to suppress the PTC effect. And, the grafted semi‐conductive composites can prevent the injection of charge carriers to XLPE insulation from the semi‐conductive electrode to improve the space charge distribution and DC breakdown strength of XLPE insulation. The polar anhydride groups in the grafted MAH can enhance the interaction between EBA macromolecular chains and between EBA macromolecular chains and carbon black (CB) to improve the dispersion of CB in EBA matrix and the stability of the internal conductive network at the high temperature, improving the properties of EBA‐based semi‐conductive shielding layer and DC electrical properties of XLPE insulation layer.
Constraining cosmological parameters using void statistics from the SDSS survey
Authors: Fernández-García Elena , Betancort-Rijo Juan E. , Prada Francisco , Ishiyama Tomoaki , Klypin Anatoly , Ereza Julia
Published: January 2025

Aims. We aim to constrain the amplitude of the linear spectrum of density fluctuations (σ8), the matter density parameter (Ωm), the Hubble constant (H0), Γ = Ωch, and S8 from Sloan Digital Sky Survey Data Release 7 (SDSS DR7) by studying the abundance of large voids in the large-scale structure of galaxies.

Methods. Voids are identified as maximal non-overlapping spheres within SDSS DR7 galaxies with redshifts of 0.02 < z < 0.132 and absolute magnitudes of Mr < −20.5. We used the theoretical framework developed in previous works and recalibrated the data using halo simulations to constrain σ8, Ωm, and H0 from the sample of SDSS galaxies mentioned above using a Bayesian analysis and Markov chain Monte Carlo (MCMC) technique. This method has also been validated using simulated halo boxes and galaxy lightcones.

Results. We have proven that the theoretical framework recovers σ8, Ωm, and H0 values from the halo simulation boxes for different values of σ8 within 1σ (2σ) in real (redshift) space. The theoretical framework void statistics from mock lightcones shows significant potential: we have studied the marginalised posteriors in each plane and checked that we were able to recover Planck values for the all the parameters. The results we obtained from the SDSS sample are: σ8 = 1.520−0.441+0.416, Ωm = 0.459−0.184+0.184, H0 = 71.63−11.77+12.60, Γ = 0.270−0.100+0.0943, and S8 = 1.87−0.76+0.59. Combining these constraints with the Kilo Degree Survey (KiDS-1000) and the Dark Energy Survey (DESY3) yields σ8 = 0.858−0.040+0.040, Ωm = 0.257−0.020+0.023, H0 = 74.17−4.66+4.66, and S8 = 0.794−0.016+0.016. The combined uncertainties of σ8 and Ωm have been reduced by a factor of 2-3, compared to KiDS-100+DESY3 alone, due to the nearly orthogonal marginalised posteriors of SDSS voids and weak lensing in the σ8 − Ωm plane.
Edge-Detected 4DSTEM - effective low-dose diffraction data acquisition method for nanopowder samples in an SEM instrument
Authors: Denisov Nikita , Orekhov Andrey , Verbeeck Johan
Published: January 2025

The appearance of direct electron detectors marked a new era for electron diffraction. Their high sensitivity and low noise opens the possibility to extend electron diffraction from transmission electron microscopes (TEM) to lower energies such as those found in commercial scanning electron microscopes (SEM). The lower acceleration voltage does however put constraints on the maximum sample thickness and it is a-priori unclear how useful such a diffraction setup could be. On the other hand, nanoparticles are increasingly appearing in consumer products and could form an attractive class of naturally thin samples to investigate with this setup. In this work we present such a diffraction setup and discuss methods to effectively collect and process diffraction data from dispersed crystalline nanoparticles in a commercial SEM instrument. We discuss ways to drastically reduce acquisition time while at the same time lowering beam damage and contamination issues as well as providing significant data reduction leading to fast processing and modest data storage needs. These approaches are also amenable to TEM and could be especially useful in the case of beam-sensitive objects.
Arthroscopic Removal of Traumatic Fractures of the Proximal Medial Trochlear Ridge of the Talus: A Retrospective Analysis of 18 Horses
Authors: Drahonovska Anna , O'Neill Henry D.
Published: January 2025

Objective The objectives of this study were (1) to evaluate the need for flexed radiographs of the proximal medial trochlear ridge (PMTR) after trauma involving medial tarsus; (2) to evaluate outcome following arthroscopic removal of traumatic osteochondral fragments (TOCF) resulting from direct injury to PMTR.

Methods Records of patients with wounds to the medial tarsus were searched and those with TOCF of the PMTR included. Patient history, fracture etiology, preoperative diagnostics, and intraoperative findings were documented. Postoperative performance data were collected using Thoroughbred Racing database or a telephone questionnaire.

Results All cases had wounds with concurrent synovial sepsis of the tarsocrural joint. Standard weight-bearing radiographs were performed preoperatively (n = 15), but most (n = 13) failed to identify PMTR pathology. When acquired (n = 8), flexed radiographs (including a uniquely described flexed plantaroproximolateral dorsodistomedial Pl30Pr45Lat-DoDiM oblique) identified PMTR lesions. PMTR TOCF were removed during the initial surgery (n = 15) or subsequent (n = 3) arthroscopy, performed due to unresolved synovial sepsis. Fifteen out of 16 horses with >6-month follow-up resumed full exercise.

Conclusion Flexed tarsal radiographs should be performed as part of a standard protocol for traumatic wounds involving the medial tarsus. Horses had excellent prognosis following arthroscopic removal of TOCF of the PMTR. Failure to recognize and remove TOCF resulted in refractory synovial sepsis for horses in this study.
Social Determinants of Health in Patients Undergoing Open Reduction and Internal Fixation for Distal Radius Fractures
Authors: Gordon Adam M. , Elali Faisal R. , Choueka Jack
Published: January 2025

Background Social determinants of health (SDOH) may influence hand surgery outcomes. The Area Deprivation Index (ADI) is a validated and weighted index comprised of 17 census-based markers of material deprivation and poverty.

Questions/Purpose The purpose was to determine whether patients with high ADI (greater disadvantage) undergoing open reduction and internal fixation (ORIF) for distal radius fractures (DRF) were associated with differences in: (1) medical complications, (2) emergency department (ED) utilizations, (3) readmissions, and (4) costs.

Materials and Methods Patients who underwent ORIF for DRFs were isolated from an insurance database from 2010 to 2020. ADI is reported on a scale of 0 to 100. Higher numbers indicate greater disadvantage. Patients associated with high ADI (95% + ) were compared with controls defined as lower ADI (0–94%). Patients with high ADI were 1:1 propensity-score matched to controls by age, gender, and Elixhauser Comorbidity Index (ECI). Multivariable logistic regression models computed odds ratios (OR) of ADI on medical complications, ED utilizations, and readmissions. t-tests were used to compare costs. P-values less than 0.05 were considered significant.

Results Patients undergoing ORIF for DRF from high ADI incurred higher rates and odds of developing all medical complications (5.58 vs. 4.63%; OR: 1.23, p < 0.0001). It was found that 90 ED utilizations (0.80% vs. 0.97%; OR: 0.83, p = 0.087) and readmissions (2.71% vs. 2.52%; OR: 1.08, p = 0.243) were similar to controls. Day of surgery ($2,626 vs. $2,571) and 90-day expenditures ($5,019 vs. $4,783) were similar between groups (all p > 0.185).

Conclusions Socioeconomically disadvantaged patients have increased rates and odds of 90-day medical complications following ORIF for DRFs.

Level of Evidence III.
Psychometric Validation of the Hemophilia Functional Ability Scoring Tool (Hemo-FAST)
Authors: Barbay Virginie , Repessé Yohann , Desprez Dominique , Drillaud Nicolas , Frotscher Birgit , Piel-Julian Marie-Léa , Castet Sabine , Genre-Volot Fabienne , Tardy Brigitte , Harroche Annie , Gandossi Corinne , Zidi Meriem , Carlsson Sara , Kragh Nana , Bednar Eva , Négrier Claude , Lebreton Aurélien
Published: January 2025

Background The Hemophilia Functional Ability Scoring Tool (Hemo-FAST), consisting of a patient-reported outcome (PRO) part and a clinician-reported outcome (ClinRO) part, was developed as a rapid and effective tool to assess functional mobility in clinical practice. This study (NCT04731701) aimed to validate the psychometric properties of Hemo-FAST for assessment of joint health in people with haemophilia (PwH).

Methods PwH A or B aged ≥18 years completed questionnaires including the PRO part of Hemo-FAST and the short-form 36 health survey (SF-36) during one study visit. Clinicians completed the Haemophilia Joint Health Score (HJHS) and the ClinRO part of Hemo-FAST at the same visit. Validation was performed using reliability, construct validity, and structure validity assessments.

Results The study enrolled 180 PwH A or B from 14 centres across France. Estimated time to complete the PRO part was mean (standard deviation) 4.6 (5.4) minutes. PRO items showed good test–retest reliability (intraclass correlation coefficient value ≥0.70). Inter-rater values were >0.70 for 7/9 ClinRO items, indicating good reliability. All items (15 PRO; 9 ClinRO) had high internal consistency (Cronbach's coefficient alpha: 0.97). Hemo-FAST demonstrated convergent construct validity with HJHS and the SF-36 physical component and discriminant construct validity with the SF-36 mental health component. Hemo-FAST scores distinguished between subgroups of people with expected differences in joint health status, including by haemophilia severity (p < 0.0001).

Conclusion This study successfully validated Hemo-FAST as a rapid and reliable tool for the functional assessment of joint health in adults with haemophilia, both in clinical practice and clinical research settings.
A Review of Potentials of Carica Papaya Leaves in Dengue Viral
Infection – Insights of Clinical and Preclinical Studies
Authors: Maideen Naina Mohamed Pakkir , Balasubramanian Rajkapoor , Shanmugam Arun , Gobinath Mirunalini , Hussain Mohamed Harshath Jahir
Published: January 2025

One of the most widespread arboviral diseases in the world, dengue virus
disease (DVD) is primarily found in tropical and subtropical regions,
affecting 129 countries. The main way that the dengue virus (DENV) spreads
is through the bite of a female Aedes aegypti mosquito. Symptomatic
therapy and supportive care are the primary methods of managing patients
with DENV infection as there is currently no approved antiviral medication
for this condition. Since the guidelines from the AYUSH Ministry, Government
of India, recommend 10 ml of carica papaya leaf extract (CPLE) twice
daily for seven days, to treat dengue fever clinically, we plan to review
the potential of carica papaya in managing DENV infection.

Using terms like dengue, dengue fever, dengue hemorrhagic fever, dengue shock
syndrome, and carica papaya, the literature was searched in databases
like Medline/PubMed Central/PubMed, Google Scholar, Science Direct, EBSCO,
Scopus, Web of Science, EMBASE, Directory of open access journals (DOAJ),
and reference lists to find articles relevant to the clinical, in-vivo,
in-vitro, and in-silico studies evaluating the efficacy of
carica papaya in the management of dengue viral infection. This
review included English-language publications that supported the use of
carica papaya in the treatment of dengue fever, but it excluded
publications that were duplicates.

Numerous preclinical and clinical investigations, such as in-vitro,
in-vivo, and in-silico studies, have identified carica
papaya's anti-dengue potential. The pleiotropic effects of
carica papaya, including its anti-thrombocytopenic activity,
immunomodulatory effects, and larvicidal property against the Aedes
aegypti mosquito species, have also been confirmed by numerous
in-vitro and in-vivo studies. These effects can help
patients with dengue fever by elevating their platelet count and alleviating
other symptoms.

To hasten recovery and reduce hospital stays, patients with DENV infection
may take carica papaya leaf extract (CPLE) in addition to supportive
care and symptomatic treatment. Additional randomized controlled clinical
trials would be necessary to confirm the safety and effectiveness of CPLE in
patients with DENV infection.
Photo-Triggered Migration of Indole based Cationic Fluorophore from Mitochondria to Nucleolus in live cells
Authors: Garg Aakriti , Bhattacharya Bireswar , Samanta Uttam , Singha Subhankar , Ghosh Dipanjan , bhowmik Subhendu , Jaisankar Parasuraman , Gupta Sreya
Published: January 2025

Small molecule fluorescence probes capable of migrating between subcellular organelles under varying cellular conditions are essential tools for investigating live cell events. In this work, we present TNK-01, synthesized from pyridinium salt and indole derivatives known for their affinity to nucleic acids and ability to target mitochondria. TNK-01 exhibits migration from mitochondria to the nucleolus upon continuous light irradiation, driven by its differential binding affinities for the negatively charged mitochondrial membrane and RNA. The photo-triggered migration of TNK-01 is enhanced by its RNA binding affinity, resulting in an approximate 32-fold increase in fluorescent signal with selectivity for RNA over DNA. Furthermore, TNK-01 demonstrates stable emission across a pH range of 3 to 8, allowing for effective monitoring of translocation across various cell lines. Its large Stokes shift, high photostability, wash-free imaging, and low cytotoxicity make TNK-01 a promising tool for cellular imaging in live cells. This photo-triggered indole-based fluorescent probe enables new research in mitochondrial studies and organelle communication, which are increasingly important for understanding metabolism and disease progression.
3-Amino-1-methyl-1H-pyridin-2-one as Inbuilt Directing Group for Additive-Free Late-Stage ortho-Amination under Copper Catalysis towards Biologically Relevant Molecules
Authors: Kundu Mrinalkanti , Adhikari Susanta , Manna Priyadarshi , Chatterjee Arunima , Rao G. Prabhakar , Mukherjee Rusmita , Podder Swarnali , Datta Bandita
Published: January 2025

Arylamines are essential building blocks that are found in biologically important substances, agrochemicals, and natural products. One of the C–N bond formation methods that is conveniently step- and atom-economical is the C–H bond activated amination process. We divulge an operationally simple and general method using 3-amino-1-methyl-1H-pyridin-2-one (AMP) as inbuilt directing group (DG) for additive-free, copper(II)-catalyzed ortho amination of β-C(sp2)–H bonds of arenes and heteroarenes. Notably, this cross dehydrogenative amination reaction exhibits a broad scope regarding amine coupling partners, including heterocyclic amines, secondary aliphatic amines, and cyclic amides, with exclusive site selectivity and excellent functional group tolerance. Moreover, implementing this methodology, we could also synthesize medicinally important compounds to showcase the suitability of this inbuilt DG for late-stage functionalization.