bluuebunny/crossref_metadata_2025 huggingface dataset:
CDK6 kinase inhibition unmasks metabolic dependencies in BCR::ABL1+ leukemia
Authors: Scheiblecker Lisa , Klampfl Thorsten , Doma Eszter , Nebenfuehr Sofie , Torres-Quesada Omar , Strich Sophie , Heller Gerwin , Werdenich Daniela , Tschulenk Waltraud , Zojer Markus , Bellutti Florian , Schirripa Alessia , Zöchbauer-Müller Sabine , Valent Peter , Walter Ingrid , Stefan Eduard , Sexl Veronika , Kollmann Karoline
Published: February 2025

Metabolic reprogramming and cell cycle deregulation are hallmarks of cancer cells. The cell cycle kinase CDK6 has recently been implicated in a wide range of hematopoietic malignancies. We here investigate the role of CDK6 in the regulation of cellular metabolism in BCR::ABL1+ leukemic cells. Our study, using gene expression data and ChIP-Seq analysis, highlights the contribution of CDK6 kinase activity in the regulation of oxidative phosphorylation. Our findings imply a competition for promoter interaction of CDK6 with the master regulator of mitochondrial respiration, NRF-1. In line, cells lacking kinase active CDK6 display altered mitochondria morphology with a defective electron transport chain. The enhanced cytoplasm/mitochondria ATP ratio paralleled by high pyruvate and lactate levels indicate a metabolic switch to glycolysis. Accordingly, combinatorial treatment of leukemic cells including imatinib resistant cells with the CDK4/6 inhibitor palbociclib and the glycolysis inhibitor 2-deoxyglucose (2-DG) enhanced apoptosis, while blocking cell proliferation in leukemic cells. These data may open a new therapeutic avenue for hematologic malignancies with high CDK6 expression by exploiting metabolic vulnerabilities unmasked by blocking CDK6 kinase activity that might even be able to overcome imatinib resistance.
Engineered mesenchymal stem/stromal cells against cancer
Authors: Shi Yuzhu , Zhang Jia , Li Yanan , Feng Chao , Shao Changshun , Shi Yufang , Fang Jiankai
Published: February 2025

Mesenchymal stem/stromal cells (MSCs) have garnered attention for their potential in cancer therapy due to their ability to home to tumor sites. Engineered MSCs have been developed to deliver therapeutic proteins, microRNAs, prodrugs, chemotherapy drugs, and oncolytic viruses directly to the tumor microenvironment, with the goal of enhancing therapeutic efficacy while minimizing off-target effects. Despite promising results in preclinical studies and clinical trials, challenges such as variability in delivery efficiency and safety concerns persist. Ongoing research aims to optimize MSC-based cancer eradication and immunotherapy, enhancing their specificity and efficacy in cancer treatment. This review focuses on advancements in engineering MSCs for tumor-targeted therapy.
Hemiphosphoindigos as a platform for chiroptical or water soluble photoswitching
Authors: Kohl Fabien , Vogl Theresa , Hampel Frank , Dube Henry
Published: February 2025

Photoswitches are important molecular tools to precisely control the behavior of matter by using light irradiation. They have found application in virtually all applied chemical fields from chemical biology to material sciences. However, great challenges remain in advanced property design including tailored chiroptical responses or water solubility. Here, hemiphosphoindigo (HPI) photoswitches are presented as capable phosphorus-based photoswitches and a distinct addition to the established indigoid chromophore family. Phosphinate is embedded in the core indigoid chromophore and the resulting optimized photoswitches display high thermal stabilities, excellent fatigue resistance and high isomer enrichment. A series of planar, twisted and heterocyclic HPIs are investigated to probe design strategies for advantageous photophysical properties. The phosphinate provides a platform for easily accessible, water-soluble photoswitches, especially interesting for biological applications. Its chiral nature further allows light-induced modulation of chiroptical properties. HPIs therefore open up a distinct structural space for photoswitch generation and advanced light-responsive applications.
Lipogenic enzyme FASN promotes mutant p53 accumulation and gain-of-function through palmitoylation
Authors: Liu Juan , Shen Yiyun , Liu Jie , Xu Dandan , Chang Chun-Yuan , Wang Jianming , Zhou Jason , Haffty Bruce G. , Zhang Lanjing , Bargonetti Jill , De Subhajyoti , Hu Wenwei , Feng Zhaohui
Published: February 2025

The tumor-suppressive function of p53 is frequently disrupted by mutations in cancers. Missense mutant p53 (mutp53) protein often stabilizes and accumulates to high levels in cancers to promote tumorigenesis through the gain-of-function (GOF) mechanism. Currently, the mechanism of mutp53 accumulation and GOF is incompletely understood. Here, we identify the lipogenic enzyme FASN as an important regulator of mutp53 accumulation and GOF. FASN interacts with mutp53 to enhance mutp53 palmitoylation, which inhibits mutp53 ubiquitination to promote mutp53 accumulation and GOF. Blocking FASN genetically or by small-molecule inhibitors suppresses mutp53 palmitoylation to inhibit mutp53 accumulation, which in turn inhibits the growth of mutp53 tumors in orthotopic and subcutaneous xenograft tumor models and transgenic mice, as well as the growth of human tumor organoids carrying mutp53. Our results reveal that mutp53 palmitoylation is an important mechanism underlying mutp53 accumulation and GOF, and targeting FASN is a potential therapeutic strategy for cancers carrying mutp53.
Plasmodium blood stage development requires the chromatin remodeller Snf2L
Authors: Watzlowik Maria Theresia , Silberhorn Elisabeth , Das Sujaan , Singhal Ritwik , Venugopal Kannan , Holzinger Simon , Stokes Barbara , Schadt Ella , Sollelis Lauriane , Bonnell Victoria A. , Gow Matthew , Klingl Andreas , Marti Matthias , Llinás Manuel , Meissner Markus , Längst Gernot
Published: February 2025

The complex life cycle of the malaria parasite Plasmodium falciparum involves several major differentiation stages, each requiring strict control of gene expression. Fundamental changes in chromatin structure and epigenetic modifications during life cycle progression suggest a central role for these mechanisms in regulating the transcriptional program of malaria parasite development1–6. P. falciparum chromatin is distinct from other eukaryotes, with an extraordinarily high AT content (>80%)7 and highly divergent histones resulting in atypical DNA packaging properties8. Moreover, the chromatin remodellers that are critical for shaping chromatin structure are not conserved and are unexplored in P. falciparum. Here we identify P. falciparum Snf2L (PfSnf2L, encoded by PF3D7_1104200) as an ISWI-related ATPase that actively repositions P. falciparum nucleosomes in vitro. Our results demonstrate that PfSnf2L is essential, regulating both asexual development and sexual differentiation. PfSnf2L globally controls just-in-time transcription by spatiotemporally determining nucleosome positioning at the promoters of stage-specific genes. The unique sequence and functional properties of PfSnf2L led to the identification of an inhibitor that specifically kills P. falciparum and phenocopies the loss of correct gene expression timing. The inhibitor represents a new class of antimalarial transmission-blocking drugs, inhibiting gametocyte formation.
Activated type 17 helper T cells affect tofacitinib treatment outcomes
Authors: Ito Yuki , Watanabe Daisuke , Okamoto Norihiro , Miyazaki Haruka , Tokunaga Eri , Ku Yuna , Ooi Makoto , Hoshi Namiko , Kohashi Michitaka , Kanzawa Maki , Kodama Yuzo
Published: February 2025

The incidence of ulcerative colitis (UC) is on the rise also in Japan. Simultaneously, therapeutic options, including biologics and Janus kinase (JAK) inhibitors, have significantly expanded over the past decade. Although tofacitinib (TOF), one of JAK inhibitors, is a viable option for patients with moderate to severe UC, there is insufficient data to predict responsiveness of TOF treatment. The present study aimed to determine whether the infiltration of IL-17 A-positive mononuclear cells into the colonic mucosa can predict responsiveness to TOF treatment. Patients with UC who underwent TOF treatment were divided into responder and failure groups. Subsequently, we conducted a comparative analysis to identify differences in the infiltration of IL-17 A-positive cells into the colonic mucosa through immunohistochemical examination of colon biopsy samples. The proportion of IL-17 A positive mononuclear cells in colon biopsy samples was significantly higher in the failure group than among responders (38.2% vs. 21.2%). Consistent with this finding, our re-analysis of RNA sequence datasets available in the Gene Expression Omnibus (GEO) database suggested that TOF exerts a more pronounced influence on Th1 cells compared with IL-17-producing Th17 cells. In summary, an abundance of IL-17 A-positive mononuclear cells in the colonic mucosa has the potential to predict the responsiveness to TOF treatment.
Bias in data-driven replicability analysis of univariate brain-wide association studies
Authors: Burns Charles D. G. , Fracasso Alessio , Rousselet Guillaume A.
Published: February 2025

Recent studies have used big neuroimaging datasets to answer an important question: how many subjects are required for reproducible brain-wide association studies? These data-driven approaches could be considered a framework for testing the reproducibility of several neuroimaging models and measures. Here we test part of this framework, namely estimates of statistical errors of univariate brain-behaviour associations obtained from resampling large datasets with replacement. We demonstrate that reported estimates of statistical errors are largely a consequence of bias introduced by random effects when sampling with replacement close to the full sample size. We show that future meta-analyses can largely avoid these biases by only resampling up to 10% of the full sample size. We discuss implications that reproducing mass-univariate association studies requires tens-of-thousands of participants, urging researchers to adopt other methodological approaches.
Sensor-assessed grasping time as a biomarker of functional impairment in rheumatoid arthritis
Authors: Coppers Birte , Heinrich Simon , Tascilar Koray , Phutane Uday , Kleyer Arnd , Simon David , Bräunig Johanna , Penner Johann , Vossiek Martin , Schönau Verena , Bayat Sara , Schett Georg , Leyendecker Sigrid , Liphardt Anna-Maria
Published: February 2025

Quantifying physical impairment in rheumatoid arthritis (RA) is important to determine disease burden and disability. Therefore, we aimed to define hand function impairments in RA patients using an opto-electronic measurement system (OMS). In this cross-sectional pilot study, spatio-temporal and hand segment data were collected during the fine motor skill Moberg Picking-Up Test (MPUT) and two elementary hand movement tasks in RA patients and healthy controls (HC) using a marker-based OMS. The duration of two MPUT movement phases (grasping, transporting 12 objects) and kinematic characteristics during the elementary movements were evaluated. We analyzed between-group differences using linear mixed-effects models accounting for within-participant clustering of hands and adjusting for age and sex. Measurements were obtained from 24 RA and 23 HC. The mean duration of the grasping phase of MPUT was longer in RA patients compared to HC while transporting times were identical, showing a significant group-phase interaction (p < 0.001). Interphalangeal joint angle ratios were similar in RA and HC (p > 0.05) with a lower ratio in both groups for the task thumb-finger opposition compared to flexion of joints. In RA patients especially grasping objects was impaired, and performance time for a subset of objects may serve as a quantitative biomarker of functional impairment.
Targeting fatty acid synthase reduces aortic atherosclerosis and inflammation
Authors: Meade Rodrigo , Ibrahim Dina , Engel Connor , Belaygorod Larisa , Arif Batool , Hsu Fong-Fu , Adak Sangeeta , Catlett Ryan , Zhou Mingzhou , Ilagan Ma. Xenia G. , Semenkovich Clay F. , Zayed Mohamed A.
Published: February 2025

Fatty acid synthase (FAS) is predominantly expressed in the liver and adipose tissue. It plays vital roles in de novo synthesis of saturated fatty acids and regulates insulin sensitivity. We previously demonstrated that serum circulating FAS (cFAS) is a clinical biomarker for advanced atherosclerosis, and that it is conjugated to low-density lipoproteins (LDL). However, it remains unknown whether cFAS can directly impact atheroprogression. To investigate this, we evaluate whether cFAS impacts macrophage foam cell formation – an important cellular process leading to atheroprogression. Macrophages exposed to human serum containing high levels of cFAS show increased foam cell formation as compared to cells exposed to serum containing low levels of cFAS. This difference is not observed using serum containing either high or low LDL. Pharmacological inhibition of cFAS using Platensimycin (PTM) decreases foam cell formation in vitro. In Apoe
−/− mice with normal FAS expression, administration of PTM over 16 weeks along with a high fat diet decreases cFAS activity and aortic atherosclerosis without affecting circulating total cholesterol. This effect is also observed in Apoe
−/− mice with liver-specific knockout of hepatic Fasn. Reductions in aortic root plaque are associated with decreased macrophage infiltration. These findings demonstrate that cFAS plays an important role in arterial atheroprogression.
Retraction: Application of new N- and S-doped amorphous carbon in D-μSPE and its combination with deep eutectic solvent-based DLLME for the extraction of some mycotoxins from soymilk
Authors: Rezaeefar Anahid , Farajzadeh Mir Ali , Nemati Mahboob , Afshar Mogaddam Mohammad Reza , Lotfipour Farzaneh
Published: February 2025

Retraction of ‘Application of new N- and S-doped amorphous carbon in D-μSPE and its combination with deep eutectic solvent-based DLLME for the extraction of some mycotoxins from soymilk’ by Anahid Rezaeefar et al., Anal. Methods, 2021, 13, 4604–4613, https://doi.org/10.1039/D1AY01057C.
Disposable electrochemical biosensor based on acetylcholinesterase for inhibition assays using a natural substance and plant extracts
Authors: dos Santos Araújo Sean , Fonseca Wilson Tiago , das Graças Fernandes da Silva Maria Fátima , Forim Moacir Rossi , Fernandes João Batista , Censi Faria Ronaldo
Published: February 2025

Acetylcholinesterase was immobilized covalently on SPCE. This is the first report of electrochemical bioassays carried out with azadirachtin and the natural extracts of Toona and Pricamnia.
Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials
Authors: Shi Lei , Liu Bangxiang , Wang Pengfei , Hu Bingcheng , Sun Chengguo , du yang , Gao Chao , zhang chong
Published: February 2025

Low mechanical sensitivity is an evaluation index for the development of safe and stable high-energy materials. Herein, 3,6-Dinitropyrazolo[4,3-c]pyrazole (DNPP) and its ionic salts 1-4 with a fused-ring backbone were synthesized...
On the pK of crystal surfaces: molecular modeling of crystallite protonation, local reorganization, and solute dissociation
Authors: Duchstein Patrick , Macht Moritz , Zahn Dirk
Published: February 2025

We demonstrate the application of the ‘instantaneous pK’ approach to the molecular dynamics simulation of crystallite models exposed to an acidic solvent environment.
Exploring coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes: a structural and theoretical study
Authors: Giordana Alessia , Priola Emanuele , Mahmoudi Ghodrat , Doustkhah Esmail , Gomila Rosa M. , Zangrando Ennio , Diana Eliano , Operti Lorenza , Frontera Antonio
Published: February 2025

This work examines coinage bonding interactions in [Au(CN)4]− assemblies with silver and zinc complexes, focusing on anion⋯anion assemblies.
Correction: Accelerated lithium-ion diffusion via a ligand ‘hopping’ mechanism in lithium enriched solvate ionic liquids
Authors: Harte Timothy , Dharmasiri Bhagya , Dobhal Garima S. , Walsh Tiffany R. , Henderson Luke C.
Published: February 2025

Correction for ‘Accelerated lithium-ion diffusion via a ligand ‘hopping’ mechanism in lithium enriched solvate ionic liquids’ by Timothy Harte et al., Phys. Chem. Chem. Phys., 2023, 25, 29614–29623, https://doi.org/10.1039/D3CP04666D.
CO2 capture in the presence of O2 and selective hydrogenation to CO over Ag-K dual functional material (DFM): Comparative investigation with Cu-based DFM
Authors: Shukuya Soma , Hashimoto Hideki , Namiki Norikazu , Maeno Zen
Published: February 2025

The CO2 capture and reduction (CCR) over dual-functional materials (DFMs) is promising as an alternative utilization strategy of low-concentration CO2 in exhaust gases and/or air. Despite much effort toward the...
A combined experimental and theoretical study of the prototypical polymorphic transformation from marcasite to pyrite FeS2
Authors: Ma KeYuan , Aschauer Ulrich , von Rohr Fabian O.
Published: February 2025

TOC illustrates the polymorphic transformation of FeS2 from marcasite to pyrite, highlighting the energy barrier (ΔG) associated with the phase transition.
Irradiation alters the structure and reduces the sensitization of sesame proteins in the liquid state
Authors: Yang Xintong , Yu Tian , Shen Yunpeng , Liu Hui , Cheng Youdou , Dai Ruoyan , Yan Dongxia , Gao Jinyan , Chen Hongbing , Wu Yong
Published: February 2025

Irradiation is extensively utilized in food processing as an effective and convenient method.
Investigating the Modulatory Effects of Pu-erh Tea on Gut Microbiota in Ameliorating Hyperuricemia Induced by Circadian Rhythm Disruption
Authors: Zhao Sibo , Cao Hongli , Sun Fanwei , Xu Mianhong , Wang Xinghua , Jiang Jielin , Luo Liyong , Zeng Liang
Published: February 2025

Circadian rhythm disruption (CRD) can induce a variety of metabolic disorders. Our previous laboratory studies have shown that Pu-erh tea could alleviate CRD-induced syndromes, including obesity, intestinal dysfunction, and tryptophan...
Monolithic carbon derived from biomass via zinc-assisted pyrolysis for lithium–sulfur batteries
Authors: Huang Jiahao , Huang Zongle , Zhang Chen , Hao Tianliang , Wang Tao , Deng Dingfei , Sun Zhipeng , Wang Yue , Xu Chenyang , Zeng Jinjue , Tang Shaochun , Huang Chaobo , Yang Lijun , Wang Xuebin
Published: February 2025

Biomass-derived oxygen-doped porous carbon traps polysulfides via oxygen-vacancy sites, enhancing Li–S battery rate (721 mA h g−1 at 3C), cycling stability (500 cycles), and sulfur loading (10.3 mg cm−2).
A chemoselective electrochemical birch carboxylation of pyridines
Authors: Sarkar Soumik , Rohit  , Meanwell Michael W.
Published: February 2025

An electrochemical Birch carboxylation of pyridines, utilizing CO2 as a sustainable C1 building block, has been developed to provide safe and direct entry to popular piperidine scaffolds.
Synthesis of nickel sulphide nanosheets using imidazolium-based chloronickellate ionic liquids as precursors/templates for sunlight-assisted degradation of organic dyes
Authors: Das Sukanya , Bora Debanga Bhusan , Kalita Sangeeta , Kashyap Niharika , Borah Ruli
Published: February 2025

Herein, two new bifunctional Brønsted–Lewis acidic chloronickellate ionic liquid systems, 1a and 1b ([RSIM]x[NiCly], where R = C2H5 and CH3, x = 2, y = 2, 3, 4 or 5), were developed by incorporating two –SO3H groups into the imidazolium cation.
Spectroelectrochemistry with hydrogen-doped indium oxide electrodes monitors electron and hole injection into PbS quantum dots
Authors: Westendorf Sophia , Li Shangjing , Michel Patrick , Hu Bin , Scheele Marcus
Published: February 2025

Determination of the absolute band edges and Fermi level positions by monitoring electrochemically induced IR absorption changes of EDT cross-linked PbS quantum dot films. IHO substrates provide optical transmittance and electrical conductivity.
Cycloisomerization of 7-en-2-yn-1-ones to bicyclo[3.1.0]hexanes using electrophilic fluorination or chlorination agents
Authors: Yasuda Yuki , Sato Daisuke , Tsubouchi Akira , Saito Akio
Published: February 2025

This work represents the first report on the cycloisomerization of enynes, which can introduce two halogen atoms at once.
Formation of polysulfides as a smart strategy to selectively detect H2S in a Bi(iii)-based MOF material
Authors: López-Cervantes Valeria B. , Obeso Juan L. , Flores J. Gabriel , Gutiérrez-Alejandre Aída , Marquez Raul A. , de los Reyes José Antonio , Flores Catalina V. , Portillo-Vélez N. S. , Marín-Rosas Pablo , Celaya Christian A. , González-Zamora Eduardo , Solis-Ibarra Diego , Peralta Ricardo A. , Ibarra Ilich A.
Published: February 2025

Changes in the HOMO–LUMO energy of pristine and H2S-saturated SU-101 material and the Jablonski diagram explaining the changes in the fluorescence of the system.
Development and characterization of water hyacinth reinforced thermoplastic starch as sustainable biocomposites
Authors: Behera Diptiranjan , Pattnaik Shruti S. , Patra Shubhendu S. , Barick Aruna K. , Pradhan Jyotsnarani , Behera Ajaya K.
Published: February 2025

This study focuses on creating waste water hyacinth-thermoplastic starch biocomposites which showed tensile strength of 7.01 MPa and found biodegradable. Cytotoxicity assessments confirmed the composite's safety, for potential application.
Enhancing redox stability of lithium–oxygen batteries via introducing an oxygen pre-coordinated vanadyl phthalocyanine catalyst
Authors: Kim Boran , Kweon Hyunji , Lim Yeji , Park Hyunyoung , Kim Jongsoon , Ryu Won-Hee
Published: February 2025

Oxygen-pre-coordinated vanadyl phthalocyanine is introduced as a catalyst for Li–O2 batteries, stabilizing superoxide radicals and enhancing Li–O2 reaction. Redox mediation mechanisms and reaction pathways confirm its catalytic efficacy.
Rational design of Janus MXene monolayers as promising frameworks for high-performance sodium metal anodes
Authors: Wang Shengbo , Ren Ziang , Zhang Jinsen , Zou Shihui , Yuan Huadong , Luo Jianmin , Liu Yujing , Nai Jianwei , Wang Yao , Tao Xinyong
Published: February 2025

Through the investigation of the deposition and diffusion behavior of Na on the surfaces of six Janus MXene monolayers, HfTiCS2 and VTaCO2 with superior performance as sodium metal anode frameworks were screened out.
Regulation of Anderson localization for enhancing thermoelectric properties in Mn doped AgSbSe2 compounds
Authors: Zhong Yaqiong , Liu Keke , Chen Shuo , Sang Hao , Wen Xili , Zhang Qingjie , Wu Jinsong , Poudeu Pierre Ferdinand Poudeu , Su Xianli , Uher Ctirad , Tang Xinfeng
Published: February 2025

Mn doping shifts the mobility edge (EC) away from the Fermi level (EF), weakening the electron localization effect and significantly improving electrical conductivity. Ultimately, AgSb0.98Mn0.02Se2 achieves a zT value of 1.1 at 690 K.
Mechanistic Study of Tumor Fluorescence Response Signal Based on a Near-Infrared Viscosity-Sensitive Probe
Authors: Han Tianyang , Zhang Yuewei , Lin Lihao , Fan Li , Jiang Huizhong
Published: February 2025

Viscosity is an important physiological parameter closely associated with various cellular processes and diseases. Several fluorescence probes responsive to viscosity have been developed, demonstrating high sensitivity specifically towards tumor tissues....
Low-bandgap oligothiophene-naphthalimide oligomeric semiconductors for thermoelectric applications
Authors: Alonso-Navarro Matías J. , Zapata-Arteaga Osnat , Riera-Galindo Sergi , Guo Jiali , Aleksandr-Peredeventsv  , Gutiérrez-Fernández Edgar , Reparaz Juan Sebastián , Ramos Mar , Müller Christian , Martín Jaime , Mas-Torrent Marta , Segura José L. , Campoy-Quiles Mariano
Published: February 2025

Oligothiophene-naphthalimide oligomeric semicoductors for organic thermoelectrics.
Impacts of linking units of porphyrin dimer donors on the performance of organic solar cells
Authors: Wu Hanping , Wu Jifa , Tang Feng , Yuan Lin , Guo Yinchun , Li Yumeng , Peng Xiaobin
Published: February 2025

In this study, we synthesized three dimer donors utilizing different linking units and discovered that these linking units significantly impact their photovoltaic performance.
Biofunctionalized Nanomaterials for Parkinson’s Disease Theranostics: Potential for efficient PD biomarker detection and effective therapy
Authors: Sabnam Saheli , Kumar Raj , Tiwari Pranav
Published: February 2025

α-synuclein (α-Syn) is a primary pathological indicator for Parkinson’s Disease (PD). The α-Syn oligomer is even more toxic and is responsible for PD. Hence, identifying α-Syn and its oligomers is...
A sensitive miRNA detection method based on a split-T7 switch modulating CRISPR/Cas12a system
Authors: Li Dayong , Cheng Wenting , Yin Feifan , Yao Yanheng , Wang Zhongyun , Xiang Yang
Published: February 2025

This study presents a novel method for sensitive miRNA detection based on a split-T7 switch modulating CRISPR/Cas12a system.
Preparation of barium sulfate/polymer hybrid nanoparticles from Bunte salt precursors
Authors: Leamkaew Vatita , Crespy Daniel
Published: February 2025

Barium sulfate/polymer hybrid nanoparticles are prepared in miniemulsion through the hydrolysis of organothiosulfates.
Correction: Emerging investigator series: quantitative insights into the relationship between the concentrations and SERS intensities of neonicotinoids in water
Authors: Liu Shengdong , Lazarcik James , Wei Haoran
Published: February 2025

Correction for ‘Emerging investigator series: quantitative insights into the relationship between the concentrations and SERS intensities of neonicotinoids in water’ by Shengdong Liu et al., Environ. Sci.: Nano, 2024, 11, 3294–3300, https://doi.org/10.1039/D4EN00221K.
Unraveling boron oxidation and structure in 2D Mo4/3B2−xTzvia solid-state NMR
Authors: Zeng Yuan , Ma Hong , Tai Zhongfu , Tong Yan , Wang Yan , Liu Xiaolong
Published: February 2025

Multiple NMR techniques were employed to study the structure and properties of Mo4/3B2−xTz and its exfoliation products. These techniques revealed the oxidation of B atoms during the wet-chemical etching and delamination processes.
Correction: Fabrication of nanoporous anodized aluminum oxide based photonic crystals with multi-band responses in the vis-NIR region
Authors: Li Mengqi , Feng Chao , Zhu Liye , Zhao Yan
Published: February 2025

Correction for ‘Fabrication of nanoporous anodized aluminum oxide based photonic crystals with multi-band responses in the vis-NIR region’ by Mengqi Li et al., Nanoscale, 2025, 17, 4099–4110, https://doi.org/10.1039/D4NR04744C.
Photoredox nickel-catalyzed radical cyclization of N-arylacrylamides with alkyl bromides
Authors: Liu Yan-Ling , Shi Liu-Shuo , He Xian-Chen , Gao Jie , Li Ke-Rong , Xiang Hao-Yue , Chen Kai , Yang Hua
Published: February 2025

We present a photoredox nickel-catalyzed intermolecular cyclization between N-arylacrylamides and readily accessible alkyl bromides, which affords a diverse range of 3,3-disubstituted oxindoles in moderate to high yields.
Biocatalytic atroposelective synthesis of heterobiaryls and heterobiaryl N-oxides via dynamic kinetic resolution
Authors: Hao Xinyue , Wang Bin , Tian Zhuangfei , Yao Zhouchang , Qiao Tianzhang , Huang Ling , Fu Haigen
Published: February 2025

A highly efficient biocatalytic dynamic kinetic resolution (DKR) for the asymmetric synthesis of axially chiral heterobiaryls and heterobiaryl N-oxides was developed using engineered imine-reductases (IREDs).
Adaptive representation of molecules and materials in Bayesian optimization
Authors: Rajabi-Kochi Mahyar , Mahboubi Negareh , Gill Aseem Partap Singh , Moosavi Seyed Mohamad
Published: February 2025

Feature Adaptive Bayesian Optimization (FABO) enhances molecular and materials discovery by dynamically selecting optimal feature representations during Bayesian optimization, outperforming fixed representations.
Evolving solar cell manufacturing: the promising outlook of open-air perovskite printing
Authors: Pendyala Naresh-Kumar , Kolay Ankita , Ponnada Yallam Naidu , Guerrero Antonio , Etgar Lioz
Published: February 2025

Comprehensive review of perovskite solar cell fabrication, comparing lab-scale spin-coating under controlled conditions with large-scale techniques, emphasizing scalable, cost-effective methods in open-air environments.
Collaborative Referencing Intervention (CRI) in Aphasia: A Replication and Extension of the Phase II Efficacy Study
Authors: Devanga Suma R.
Published: February 2025

Purpose:

A Phase II study on collaborative referencing intervention (CRI) documented significant positive treatment effects on a traditional confrontation naming measure in four participants with aphasia (PWAs). We replicated the 2021 study and extended it by studying the treatment effect on dyadic conversations and perceptions of communication confidence.

Method:

Three PWAs participated in this multiple-probe, single-case experimental study composed of (a) three preparatory sessions, (b) five baseline sessions, (c) 15 CRI sessions with five treatment probes, and (d) five maintenance sessions. The dependent variables included a collaborative confrontation naming (CCN) probe, the Communication Confidence Rating Scale for Aphasia (CCRSA; Babbitt et al., 2011), and 10-min conversations each with clinician and a communication partner. Each CRI session (i.e., independent variable) consisted of a photo-matching game with the participant and clinician taking alternative turns identifying and matching personally relevant treatment cards. CCN probes were scored using a multidimensional rating scale. Analyses of correct information units
conv
(CIU
conv
), trouble sources, and repairs were conducted on the conversations across the study. The CCRSA scores were also analyzed across the study.

Results:

Multiple-probe analysis revealed significant positive treatment effects on (a) confrontation naming (consistent with the previous study), (b) conversations (on trouble sources and repairs with clinician only, with no significant changes in CIU
conv
across partners), and (c) perceived communication confidence across participants.

Conclusions:

CRI emerges as a promising intervention for individuals with aphasia with potential impacts on conversations and perceived communication confidence. Future research endeavors will further augment our understanding and evidence base regarding this treatment.
An empirical model of the extragalactic radio background
Authors: Gao Fangyou , Wang Tao , Wang Yijun
Published: February 2025

Aims. Radio observations provide a powerful tool for constraining the assembly of galaxies over cosmic time. Recent deep and wide radio continuum surveys have significantly improved our understanding of the radio emission properties of active galactic nuclei (AGNs) and star-forming galaxies (SFGs) across 0 < z < 4. These findings have allowed us to derive an empirical model of the radio continuum emission of galaxies, based on their star formation rates and the probability of their hosting radio AGNs. In this work, we verify how well this empirical model can reproduce the extragalactic radio background (ERB), which can provide new insights into the contribution to the ERB from galaxies of different masses and redshfits.

Methods. We made use of the Empirical Galaxy Generator (EGG) code to generate a near-infrared (NIR) selected, flux-limited, multiwavelength catalog to mimic real observations. Then we assigned radio continuum flux densities to galaxies based on their star formation rates and the probability that they would host a radio-AGN of a specific 1.4 GHz luminosity. We also applied special treatments to reproduce the clustering signal of radio AGNs.

Results. Our empirical model successfully recovers the observed 1.4 GHz radio luminosity functions (RLFs) of both AGN and SFG populations, as well as the differential number counts at various radio bands. The uniqueness of this approach also allows us to directly link the radio flux densities of galaxies to other properties, including redshifts, stellar masses, and magnitudes at various photometric bands. We find that roughly half of the radio continuum sources to be detected by the Square Kilometer Array (SKA) at z ∼ 4 − 6 will be too faint to be detected in the optical survey (r ∼ 27.5) carried out by Rubin Observatory.

Conclusions. Unlike previous studies, which utilized (extrapolations of) RLFs to reproduce the ERB, our work starts from a simulated galaxy catalog with realistic physical properties. It has the potential to simultaneously and self-consistently reproduce physical properties of galaxies across a wide range of wavelengths, from the optical, NIR, and far-infrared (FIR) to radio wavelengths. Our empirical model can shed light on the contribution of different galaxies to the extragalactic background light and would greatly facilitate the design of future multiwavelength galaxy surveys.
Women and Hereditary Bleeding Disorders
Authors: Bosch Alessandra , Moussaoui Dehlia , Casini Alessandro
Published: February 2025

Hereditary bleeding disorders encompass a range of hemostasis defects that impair the blood coagulation process. Although these disorders affect both men and women, research and clinical management have historically been predominantly focused on male patients, particularly those with hemophilia. Consequently, the impact of these disorders on women has been undervalued and frequently overlooked. The intricate relationship between a woman's tendency to bleed and the various gynecological and obstetric processes gives rise to distinctive health challenges for women with hereditary bleeding disorders. Heavy menstrual bleeding (HMB), excessive bleeding during miscarriages, postpartum hemorrhage, and hemorrhagic ovarian cysts represent some of the most common complications. Despite the high prevalence and significant impact of these symptoms, many women experience delays in diagnosis and treatment, which in turn may result in iron-deficiency anemia, anxiety, influence on reproductive decisions, and a decreased quality of life. This review aims to summarize the distinctive characteristics of hereditary bleeding disorders in women, emphasizing the clinical challenges and hormonal management strategies for HMB.
Signal Transduction and Transformation by the Platelet Activation Cascade: Systems Biology Insights
Authors: Sveshnikova Anastasia N. , Panteleev Mikhail Aleksandrovich
Published: February 2025

Binding of platelet activators to their receptors initiates a signal transduction network, where intracellular signal is filtered, amplified, and transformed. Computational systems biology methods could be a powerful tool to address and analyze dynamics and regulation of the crucial steps in this cascade. Here we review these approaches and show the logic of their use for a relatively simple case of SFLLRN-induced procoagulant activity. Use of a typical model is employed to track signaling events along the main axis, from the binding of the peptide to PAR1 receptor down to the mPTP opening. Temporal dynamics, concentration dependence, formation of calcium oscillations and their deciphering, and role of stochasticity are quantified for all essential signaling molecules and their complexes. The initial step-wise activation stimulus is transformed to a peak at the early stages, then to oscillation calcium spikes, and then back to a peak shape. The model can show how both amplitude and width of the peak encode the information about the activation level, and show the principle of decoding calcium oscillations via integration of the calcium signal by the mitochondria. Use of stochastic algorithms can reveal that the complexes of Gq, in particular the complex of phospholipase C with Gq, which are the limiting steps in the cascade with their numbers not exceeding several molecules per platelet at any given time; it is them that cause stochastic appearance of the signals downstream. Application of reduction techniques to simplify the system is demonstrated.
Nonsurgical Rhinoplasty: Histopathological Effects of Dermal Fillers on Nasal Cartilage in a Rabbit Model
Authors: Gürlek İbrahim Ömer , Gülüstan Filiz , İnan Burak Kaan , Göktaş Ahmet Bahadır , İnan Öznur , Sayın İbrahim , Kaya Kamil Hakan
Published: February 2025

Nonsurgical rhinoplasty has emerged as a preferred nasal aesthetic treatment due to its safety, predictability, and high patient satisfaction. It utilizes dermal fillers, primarily hyaluronic acid (HA), to enhance nasal profiles and correct defects. However, limited data exist on the effects of HA-containing dermal fillers on nasal cartilage. This study aimed to evaluate these effects histopathologically. Sixteen New Zealand white rabbits were divided into two groups (A and B). Group A's right lateral cartilages (AR) received 0.1 mL of VYC-20L filler, while the left (AL) received isotonic saline. Group B's right lateral cartilages (BR) received 0.1 mL of VYC-25L filler, with the left (BL) serving as the control. After 90 days, the rabbits were sacrificed, and cartilage samples were analyzed histopathologically for cartilage thickness, chondrocyte nucleus loss, inflammation, fibrosis, giant cells, granulation tissue, abscess, and necrosis. Statistical significance was set at p < 0.05. Significant differences were found between groups for chondrocyte nucleus loss, fibrosis, and giant cells (p = 0.005, 0.018, <0.001, respectively). No difference was observed in cartilage thickness between AR and BR (p = 0.918). Chondrocyte nucleus loss was present in AR and BR but absent in AL and BL. Giant cells were detected in all VYC-20L and VYC-25L samples. Chronic inflammation and fibrosis varied but were not statistically significant. No abscess or necrosis was observed. This study demonstrated the histopathological effects of VYC-20L and VYC-25L on nasal cartilage using a rabbit model. Further studies with larger samples and diverse fillers are recommended.
Total Syntheses of Antimalarial Cyclic Tetrapeptides: Koshidacins A and B via Olefin Cross Metathesis Reaction
Authors: Yang Kun , Tong Yue , Li Tianhao , Sun Yuanjun , Wang Liang , Chen Yue
Published: February 2025

In this study, we present the first total syntheses of koshidacins A and B, antiplasmodial cyclic tetrapeptides from fungus, by assembling the side chain in late stage through olefin cross metathesis. Besides, two diastereoisomer 8,9-epi-koshidacin A and 9-epi-koshidacin B were also synthesized based on our synthetic route.
Prevalence and endoscopic-histological correlation of premalignant gastric lesions at a university hospital in Uruguay
Authors: Moratorio Ignacio , Canavesi Adrian , Olano Carolina , Mönkemüller Klaus
Published: February 2025

Introduction and aims: Although chronic atrophic gastritis (CAG), intestinal metaplasia (IM) and dysplasia constitute gastric pre-neoplastic conditions of gastric cancer (GC), data on endoscopic correlation and the prevalence in many South American countries is scarce. The aims were to establish the prevalence and perform endoscopic-histological correlation of gastric pre-neoplastic conditions using HD white light endoscopy (WLE); and to determine the interobserver agreement for the endoscopic findings of CAG and IM.
Materials and Methods: Prospective, observational, descriptive, cross-sectional study carried out at a Uruguayan hospital during a 6-month period. Risk was stratified according to OLGA and OLGIM stage for CAG and IM, respectively. An independent and blinded second observer was included to determine the interobserver endoscopic and histologic agreement.
Results: 102 patients (mean age 57 years±1.6 years, 68.6% woman) were included. Prevalence of histological CAG and IM were 38.2% and IM 31.4%, respectively. Endoscopic-histological correlation for CAG had kappa index 0.063, sensitivity 46% and specificity 60%. For endoscopic IM, the kappa index 0.216, sensitivity 22% and specificity 96%. Interobserver variability was good for gastric fold flattening and very good in the presence of whitish-greyish plaques for CAG and IM, respectively.
Conclusions: The endoscopic-histological correlation of both CAG and IM was low raising the need for biopsy for diagnosis in all cases, regardless of the HD-WLE findings. Although the prevalence of gastric pre-neoplastic conditions in this group of Uruguayan patients was comparable to those described in countries with a high incidence of GC, a low proportion of high-risk stages (III and IV) was identified.
Enhancing Diagnostics: ChatGPT-4's Performance in Ulcerative Colitis Endoscopic Assessment
Authors: Levartovsky Asaf , Albshesh Ahmad , Grinman Ana , Shachar Eyal , Lahat Adi , Eliakim Rami , Kopylov Uri
Published: February 2025

Background: The Mayo Endoscopic Subscore (MES) is widely utilized for assessing mucosal activity in ulcerative colitis (UC). Artificial intelligence has emerged as a promising tool for enhancing diagnostic precision and addressing inter-observer variability. This study evaluates the diagnostic accuracy of ChatGPT-4, a multimodal large language model, in identifying and grading endoscopic images of UC patients using the MES.
Methods: Real-world endoscopic images of UC patients were reviewed by an expert consensus board. Each image was graded based on the MES. Only images that were uniformly graded were subsequently provided to three inflammatory bowel disease (IBD) specialists and ChatGPT-4. Severity gradings of the IBD specialists and ChatGPT-4 were compared to assessments made by the expert consensus board.
Results: 30 of 50 images were graded with complete agreement among the experts. Compared to the consensus board, ChatGPT-4’s gradings had a mean accuracy rate of 78.9% while the IBD specialists mean accuracy rate was 81.1%. Between the two groups, there was no statistically significant difference in mean accuracy rates (p = 0.71) and a high degree of reliability was found.
Conclusions: ChatGPT-4 has the potential of assessing mucosal inflammation severity from endoscopic images of UC patients, without prior configuration or fine-tuning. Performance rates were comparable to IBD specialists.
Noninvasive Imaging Methods for Bile Duct and Gallbladder Pathology: An Overview
Authors: Harmath Carla , Flory Marta
Published: February 2025

Evaluation of the gallbladder and biliary system with noninvasive imaging modalities is essential for pathology characterization as well as for guidance of additional diagnostic and therapeutic intervention. Ultrasound (US), computed tomography (CT), and magnetic resonance imaging (MRI) are the mainstream modalities encountered in the workup of gallbladder and biliary pathology and can be used alone or in combination. US is the modality of choice for initial workup of abnormal liver function tests and is excellent at evaluating gallbladder and bile duct pathology such as choledocholithiasis or cholecystitis. It is widely available, cost-effective, and portable. CT is a common modality for the evaluation of abdominal pain and may demonstrate biliary dilatation or other processes such as infection or neoplasms involving the biliary system, gallbladder, and involved adjacent liver parenchyma. MRI, and more specifically MR cholangiopancreatography, is the modality of choice for detailed evaluation of the intrahepatic and extrahepatic ducts. It can accurately depict biliary anatomic variants for presurgical planning, postprocedural complications, intraductal processes, and other biliary-related pathologies. MRI can also assess for bile leaks and fistulas with the use of hepatobiliary contrast agents. All these modalities provide important diagnostic information, facilitate interventional approaches, and guide clinical treatment algorithms. We review the advantages and limitations of each to help guide the provider to the modality of choice for the optimal assessment of specific gallbladder and biliary pathologies and treatment planning needs.
Chronic pain management in aged mice via transcranial focused ultrasound
Authors: Daniel Hannah
Published: February 2025

Wearable ultrasound device allows for specific targeting of brain regions that modulate pain
Design of a robot-automated flat plate/reflection geometry x-ray diffraction setup for accelerated materials discovery and structural screening
Authors: Crain Christopher A. , Stone Kevin H. , Troxel Charles , Shulda Sarah , Ginley David S. , Strange Nicholas A.
Published: February 2025

We report the design, construction, and automation of a flat plate sample loading, alignment, and data acquisition system for x-ray diffraction measurements in reflection geometry implemented at the Stanford Synchrotron Radiation Lightsource. The system is built onto a single platform, enabling facile transferability, and is compartmentalized into sample storage, sample transfer, and sample position/alignment segments. The core feature of this system is a six-axis robotic arm that offers a large range of highly reproducible and programmable movements. The degrees of freedom of the robot arm enable adaptability in which movements can be modified to fit various beamline environments and sample configurations. The samples are housed on 3D printed sample mounts, which are arranged onto a 6 × 2 array of sample cassettes capable of holding seven samples. Using sample mounts designed for solid oxide electrolysis button cells (SOECs), the maximum tray capacity is 84 samples, which can be aligned and run in ∼24 h with long exposure scans. The sample array is additionally capable of accommodating a range of sample sizes and geometries due to the rapid 3D printed fabrication. The components of the setup will be described in detail and performance will be demonstrated with a set of representative SOEC and XRD standard samples. Opportunities for future developments and integration with the automated setup are summarized.
Growth of monolayer 1T′-WTe2 with a nearly complete coverage
Authors: Yao Jiamin , Zhang Haimin , Song Dezhi , Zhang Jun , Jiang Ye-Ping
Published: February 2025

Monolayer WTe2, known for its intriguing properties as a quantum spin Hall insulator, presents significant challenges for high-quality epitaxial film growth. These difficulties primarily arise from the low mobility of W on the substrate and the reduced reaction rate between W and Te. This study addresses these challenges by employing a low-temperature deposition technique combined with the introduction of a Te buffer layer to mitigate these limitations. High-quality monolayer 1T′-WTe2 with nearly complete coverage has been grown on the SrTiO3 (100) substrate. Furthermore, scanning tunneling microscopy/spectroscopy demonstrates the presence of random domain orientations and variations in gap size within the monolayer WTe2. This approach offers a solution to the primary obstacles in WTe2 epitaxial growth and may be extended to other transition metal dichalcogenides.
Weighted Bayesian uncertainty quantification for the high explosive reactants using limited data
Authors: Wang Yanjin , Pan Hao , Yin Jianwei , Wang Pei , Qin Jin , Li Chao
Published: February 2025

Bayesian uncertainty analysis is a highly effective tool for estimating model uncertainty, thereby improving the prediction ability with limited data. The data quality plays a role in uncertainty analysis. This paper presents a novel approach to assess the quality of limited experiment data for high explosives. By assigning varying weights to the data based on their quality, we adopt a Bayesian statistical framework to quantify the uncertainties associated with the reactant equation of state for high explosives. The resulting quantification not only elucidates the current physical knowledge but also paves the way for more informed experimental and simulation strategies in future studies. The technique employed in this paper is not limited to high explosives and could be potentially used for uncertainty quantification of other materials.