bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nudix Hydrolase 13 Impairs the Initiation of Colorectal Cancer by Inhibiting PKM1 ADP‐Ribosylation
Authors: Lin Jinlong , Yin Yixin , Cao Jinghua , Zou Bingxu , Han Kai , Chen Yufan , Li Siyu , Huang Cijun , Chen Jiewei , Lv Yongrui , Xu Shuidan , Xie Dan , Wang Fengwei 
Published: February 2025

AbstractMetabolic dysregulation has been implicated as a key factor in colorectal cancer (CRC) initiation, however, the underlying driving forces and mechanisms remain poorly understood. Herein, transcriptome profiling of paired early‐stage CRCs and adenomas identifies Nudix hydrolase 13 (NUDT13) as a critical suppressor. Elevated NUDT13 expression impedes the proliferation of CRC cells under hypoxic conditions and markedly inhibits CRC initiation by upregulating PKM1. Mechanistically, NUDT13 directly binds and stabilizes PKM1 protein by reducing its poly ADP‐ribosylation (PARylation), which is catalyzed by PARP1 at E275/D281/E282/E285/D296, thereby inducing an oxidative phosphorylation (OXPHOS) phenotype in CRC cells. Moreover, spatiotemporal knockout of Nudt13 enhances intestinal tumorigenesis in mice, which can be significantly suppressed by PARP1 inhibitor Olaparib. Notably, residues E245/E248/E249 within the Nudix box motif of NUDT13 are essential for PKM1 PARylation, and a mimic peptide derived from this motif is sufficient to stabilize PKM1 protein and robustly inhibit CRC tumorigenesis. Collectively, this study reveals a previously unknown PARylation‐dependent mechanism that regulates PKM1 protein stability and switches the metabolic pathway of CRC cells, providing a promising target for CRC treatment.
Engineering Yarrowia lipolytica to Enhance the Production of Malonic Acid via Malonyl‐CoA Pathway at High Titer
Authors: Yang Qun , Tian Mengzhen , Dong Ping , Zhao Yunying , Deng Yu 
Published: February 2025

AbstractMalonic acid (MA) is a high‐value‐added chemical with significant applications in the polymers, pharmaceutical, and food industries. Microbial production of MA presents enzyme inefficiencies, competitive metabolic pathways, and dispersive carbon flux, which collectively limit its biosynthesis. Here, the non‐conventional oleaginous yeast Yarrowia lipolytica is genetically engineered to enhance MA production. Initially, the malonyl‐CoA pathway, comprising a malonyl‐CoA hydrolase from Saccharomyces cerevisiae, is confirmed as the most efficient for MA production in Y. lipolytica. To further enhance MA production, two novel malonyl‐CoA hydrolases exhibiting higher activity than the hydrolase from S. cerevisiae, are identified from Y. lipolytica and Fusarium oxysporum, respectively. The introduction of the malonyl‐CoA hydrolase from F. oxysporum increases the MA titer to 6.3 g L−1. Subsequently, advanced metabolic engineering strategies are performed to ensure a sufficient flux of the precursors acetyl‐CoA and malonyl‐CoA for MA production, resulting in a production of 13.8 g L−1 MA in shaking‐flasks. Finally, by employing the fermentation conditions and feeding strategies, a maximum concentration of 63.6 g L−1 of MA is achieved at 156 h with a productivity of 0.41 g L−1 h−1 in fed‐batch fermentation. This study provides a new way for engineering Y. lipolytica to enhance MA production at high titer.
Berberine is a Novel Mitochondrial Calcium Uniporter Inhibitor that Disrupts MCU‐EMRE Assembly
Authors: Zhao Haixin , Chen Siqi , Cao Nian , Wu Wenjun , Liu Guangqin , Gao Jun , Chen Jiayi , Li Ting , Lu Dingyi , Zeng Lingmin , Zhu Haizhen , Zhang Weina , Xia Qing , Li Teng , Zhou Tao , Zhang Xue‐Min , Li Ai‐Ling , Pan Xin 
Published: February 2025

AbstractThe mitochondrial calcium uniporter (MCU) complex mediates Ca2+ entry into mitochondria, which plays a crucial role in regulating cellular energy metabolism and apoptosis. Dysregulation of MCU is implicated in various diseases, such as neurodegenerative disorders, cardiac diseases, and cancer. Despite its importance, developing specific and clinically viable MCU inhibitors is challenging. Here, Berberine, a well‐established drug with a documented safety profile, is identified as a potent MCU inhibitor through a virtual screening of an FDA‐approved drug library. Berberine localizes within mitochondria and directly binds to the juxtamembrane loop domain of MCU. This binding disrupts the interaction of MCU with its essential regulator, EMRE, thereby inhibiting rapid Ca2+ entry into the mitochondria. Notably, Berberine pretreatment reduces mitochondrial Ca2+ overload and mitigates ischemia/reperfusion‐induced myocardial injury in mice. These findings establish Berberine as a potent MCU inhibitor, offering a safe therapeutic strategy for diseases associated with dysregulated mitochondrial calcium homeostasis.
DeepInterAware: Deep Interaction Interface‐Aware Network for Improving Antigen‐Antibody Interaction Prediction from Sequence Data
Authors: Xia Yuhang , Wang Zhiwei , Huang Feng , Xiong Zhankun , Wang Yongkang , Qiu Minyao , Zhang Wen 
Published: February 2025

AbstractIdentifying interactions between candidate antibodies and target antigens is a key step in developing effective human therapeutics. The antigen–antibody interaction (AAI) occurs at the structural level, but the limited structure data poses a significant challenge. However, recent studies revealed that structural information can be learned from the vast amount of sequence data, indicating that the interaction prediction can benefit from the abundance of antigen and antibody sequences. In this study, DeepInterAware (deep interaction interface‐aware network) is proposed, a framework dynamically incorporating interaction interface information directly learned from sequence data, along with the inherent specificity information of the sequences. Experimental results in interaction prediction demonstrate that DeepInterAware outperforms existing methods and exhibits promising inductive capabilities for predicting interactions involving unseen antigens or antibodies, and transfer capabilities for similar tasks. More notably, DeepInterAware has unique advantages that existing methods lack. First, DeepInterAware can dive into the underlying mechanisms of AAIs, offering the ability to identify potential binding sites. Second, it is proficient in detecting mutations within antigens or antibodies, and can be extended for precise predictions of the binding free energy changes upon mutations. The HER2‐targeting antibody screening experiment further underscores DeepInterAware's exceptional capability in identifying binding antibodies for target antigens, establishing it as an important tool for antibody screening.
Aspergillus Mycotoxins: The Major Food Contaminants
Authors: Xue Mengyao , Qu Zheng , Moretti Antonio , Logrieco Antonio F. , Chu Haiyan , Zhang Qi , Sun Changpo , Ren Xianfeng , Cui Li , Chen Qinglin , An Yi , Li Chengjun , Zhong Huan , Cao Zhiyan , Wang Feng , Sun Yuebing , Wang Lili , Hou Jie , Zhang Chenchen , Yang Mengmeng , Ding Yiming , Yao Yanpo , Li Peiwu , Zhu Yong‐Guan 
Published: February 2025

AbstractMycotoxins, a category of fungal secondary metabolites, frequently contaminate food products and pose a severe threat to human health. Aspergillus, a genus of fungi, is capable of producing mycotoxins, with aflatoxins (AFs) and ochratoxins being its principal types. Aspergillus mycotoxins can contaminate a wide range of crops and their derivatives, such as maize, wheat, rice, minor cereals, and peanuts, thereby threatening food and feed safety. In the paper, the related biosynthesis genes and multifaceted biosynthesis pathways of these mycotoxins are first discussed in detail, and elucidated several global regulators, including growth conditions, oxidative stress, and cell signal. Furthermore, how global shifts in temperature and water availability, driven by climate change (including rising temperatures, increased heavy rainfall frequency, prolonged droughts, and elevated carbon dioxide levels), are key determinants of Aspergillus proliferation and mycotoxin production are explored. Finally, to safeguard animal and human health from the detrimental impacts of Aspergillus mycotoxins, the effective and convenient analytical techniques and management strategies for the detection and prevention of contamination are analyzed. Overall, this review provides effective detection techniques and promising solutions to the global contamination of food with Aspergillus mycotoxins, which is of great significance to ensuring food security and protecting people's lives and health.
Tribbles Pseudokinase 3 Converts Sorafenib Therapy to Neutrophil‐Mediated Lung Metastasis in Hepatocellular Carcinoma
Authors: Wang Xu‐Yan , Liao Yuan , Wang Rui‐Qi , Lu Yi‐Tong , Wang Ying‐Zhe , Xin Yu‐Qi , Kuang Dong‐Ming , Lao Xiang‐Ming , Xu Junying , Zhou Zhi‐Ling , Hu Kunhua 
Published: February 2025

AbstractRapid development of resistance to sorafenib and subsequent hyperprogression in patients with advanced hepatocellular carcinoma (HCC) pose significant challenges, with the underlying mechanisms still largely unknown. Herein, sorafenib‐induced TRIB3 is identified as a liver‐specific determinant driving secondary resistance to sorafenib by facilitating the accumulation of protumorigenic neutrophils within tumors. Mechanistically, TRIB3, triggered by the sorafenib‐elicited ROS‐ER stress axis, operates in an NF‐κB‐dependent manner to upregulate CXCR1/2 ligands, subsequently promoting neutrophil recruitment into tumors. These enriched neutrophils enhance epithelial‐mesenchymal transition processes in malignant cells through the oncostatin M‐STAT3 pathway, thereby repurposing the therapeutic efficacy of sorafenib away from anti‐angiogenesis and toward lung metastasis. Clinically, elevated TRIB3 expression indicates inferior survival and unfavorable clinical efficacy of sorafenib in HCC patients. Correspondingly, strategies that either inhibiting TRIB3 upregulation or blocking its downstream signaling successfully augment the therapeutic efficacy of sorafenib and prevent sorafenib‐induced hyperprogression in vivo. The study thus identifies a pivotal mechanism of sorafenib resistance in HCC, centered on the TRIB3‐mediated recruitment of protumorigenic neutrophils and subsequent disease hyperprogression.
Accurately Models the Relationship Between Physical Response and Structure Using Kolmogorov–Arnold Network
Authors: Wang Yang , Zhu Changliang , Zhang Shuzhe , Xiang Changsheng , Gao Zhibin , Zhu Guimei , Sun Jun , Ding Xiangdong , Li Baowen , Shen Xiangying 
Published: February 2025

AbstractArtificial intelligence (AI) in science is a key area of modern research. However, many current machine learning methods lack interpretability, making it difficult to grasp the physical mechanisms behind various phenomena, which hampers progress in related fields. This study focuses on the Poisson's ratio of a hexagonal lattice elastic network as it varies with structural deformation. By employing the Kolmogorov–Arnold Network (KAN), the transition of the network's Poisson's ratio from positive to negative as the hexagonal structural element shifts from a convex polygon to a concave polygon was accurately predicted. The KAN provides a clear mathematical framework that describes this transition, revealing the connection between the Poisson's ratio and the geometric properties of the hexagonal element, and accurately identifying the geometric parameters at which the Poisson's ratio equals zero. This work demonstrates the significant potential of the KAN network to clarify the mathematical relationships that underpin physical responses and structural behaviors.
The Toxicity of Lead and Lead‐Free Perovskite Precursors and Nanocrystals to Human Cells and Aquatic Organisms
Authors: Maietta Immacolata , Otero‐Martínez Clara , Fernández Sabela , Sánchez Laura , González‐Fernández África , Polavarapu Lakshminarayana , Simón‐Vázquez Rosana 
Published: February 2025

AbstractHalide perovskites have emerged at the forefront of semiconductor materials for photovoltaic and light‐emitting devices. However, long‐term stability and toxicity are the major barriers to their commercialization. In particular, the toxicity of lead (Pb) and its environmental impact have prompted the exploration of lead‐free alternatives like tin (Sn) and bismuth (Bi). Herein, a cytotoxicity study of Pb‐based perovskite (CsPbBr3 and CsPbI3) and a lead‐free Cs2AgBiBr6 nanocrystals in lung and liver cell lines and in blood cells are reported, revealing that both Pb and Bi exhibit mitogenic effects and oxidative stress in liver cells, cytotoxicity in pulmonary cells and a dose‐dependent hemolytic effect, raising concerns about their potential pulmonary‐hepato‐hemotoxicity. The zebrafish embryo tests reveal SnBr2 displays a notably safer environmental impact profile at elevated concentrations, while Pb and Bi exhibit dose‐dependent toxicity. This study provides compelling evidence that Sn compounds demonstrate a safer toxicity profile in both human cells and aquatic organisms under the studied conditions, supporting their potential as a more environmentally friendly alternative. In contrast, Bi compounds exhibit a toxicity profile similar to Pb perovskites, warranting caution in its use as a substitute. These findings guide future research and regulatory efforts in the safety and sustainability of perovskite nanocrystals.
Dynamic Assembly of Microgels and Polymers at Non‐Aqueous Liquid/Liquid Interfaces
Authors: Guan Xin , Liu Yang , Li Lianwei , Kwok Man‐Hin , Ding Mingming , Jiang Hang , Ngai To 
Published: February 2025

AbstractParticle assembly at liquid–liquid interfaces presents a promising bottom‐up strategy for creating supramolecular materials with advanced functionalities. However, the significantly lower interfacial tension observed in immiscible organic phases compared to traditional oil–water systems has hindered the effective adsorption and assembly of particles at oil–oil interfaces. In this work, a versatile and effective strategy is presented that utilizes the assembly and jamming of microgels and polymer ligands at non‐aqueous liquid–liquid interfaces to create non‐aqueous Pickering emulsions and reconfigurable droplet networks. The resulting microgel‐polymer complexes form an asymmetric interfacial bilayer with high surface coverage, which effectively minimizes interfacial energy and improves interfacial elasticity. Through a combination of systematic interfacial measurements and molecular dynamics simulations, the underlying mechanisms governing interfacial self‐assembly are elucidated. Notably, the stimuli‐responsive nature of the microgel‐polymer complexes allows for precise control over the interfacial assembly and disassembly by introducing competitive molecules. Furthermore, it is demonstrated that these non‐aqueous Pickering emulsions serve as excellent templates for the fabrication of heterogeneous organogels and microgel‐based colloidosomes through both covalent and non‐covalent crosslinking strategies. This work underscores the potential of non‐aqueous interfaces in advancing materials science and opens new avenues for developing multifunctional materials.
Copper‐Catalyzed Carbonylative Cyclization of CO2: A Promising Approach for Synthesis of Flavone
Authors: Huang Zijun , Dong Junyong , Liu Pengtao , Yin Yadi , Yi Bing , Fang Zhengjun , Jiang Xiaolin , Li Yuehui 
Published: February 2025

AbstractFlavones are an important class of building blocks for numerous biologically active molecules, pharmaceuticals, and natural products. Reductive carbonylation of CO2 is a powerful method to provide high‐value heterocycles quickly. However, examples of transition metal‐catalyzed carbonylation to produce flavones using CO2 are quite scarce, and the related copper‐catalyzed carbonylative cyclization of CO2 is not reported. Here, a general procedure is developed for the copper‐catalyzed carbonylative C(sp3)‐H bond synthesis of flavone using CO2 as the C1 source. Additionally, 13C‐labeled flavones are successfully synthesized using [13C]‐CO2, demonstrating significant inhibitor activity against MCF‐7 cells in antitumor assays. Mechanistic investigations suggest that the phenolic group accelerates CO2 mass transfer by promoting nucleophilic addition to DBU‐CO2 complexes, followed by selective intramolecular carbonylative cyclization.
Sono‐Piezo Dynamic Therapy: Utilizing Piezoelectric Materials as Sonosensitizer for Sonodynamic Therapy
Authors: Chen Zhiguang , Sang Liang , Liu Yanjun , Bai ZhiQun 
Published: February 2025

AbstractSonodynamic therapy (SDT) represents a promising approach for cancer treatment. Compared to photodynamic therapy, SDT offers increased penetration depth and higher precision. However, the practical application of SDT is constrained by the low water solubility, poor tumor specificity, and metabolic susceptibility of most sonosensitizers. Recent research has explored the use of piezoelectric materials as sonosensitizers in cancer treatment and inhibition of bacterial growth. Upon ultrasound excitation, the separation of electron–hole (e−–h+) pairs occurs within the piezoelectric material. By improving the crystal structure of the material or incorporating other nanoparticles to prevent rapid recombination of e−–h+ pairs, the piezoelectric material accumulates charges in the conduction band and valence band, achieving the redox potential of O2/·O2−. This enables the piezoelectric material to serve as a sonosensitizer, leading to the concept termed Sono‐Piezo Dynamic Therapy (SPDT). This review aims to define the concept of SPDT, provide a systematic overview of the historical development of piezoelectric materials in the application of SDT, and elucidate the potential mechanisms by which piezoelectric materials act as sonosensitizers. Importantly, various piezoelectric materials will be discussed in terms of their feasibility, advantages, and disadvantages as sonosensitizers, offering new perspectives for identifying potential sonosensitizers.
Getting Under the Sensor's Skin: The Importance of Electrical Contact Characterization for Conductive Composite Elastomers
Authors: Onsager Claire C. , Rovinsky Lev , Aygen Can C. , Cohen Shira K. , Lachman Noa , Grayson Matthew A. 
Published: February 2025

AbstractConductive elastomer composites can be used as flexible, lightweight, and inexpensive sensors, but they require ohmic electrical contacts to ensure readout consistency, and such contacts can suffer from hysteresis, non‐ohmic behavior, and cyclic fatigue. This work investigates a common cause of non‐ohmic conduction in such composite contacts, namely the thin insulating layer native to the surface of most silicone rubber composites that have been infused with multi‐walled carbon nanotubes for piezoresistive sensing. Voltage sweep dc measurements of individual contacts on this surface layer behave as parallel head‐to‐tail diodes with asymmetric hysteresis. Frequency sweep ac measurements quantify the insulator thickness with a leaky capacitor model to be ∼1 µm, independent of nanotube concentration, much thicker than the apparent layer thickness as imaged with scanning electron microscopy. This analysis also confirms highly anisotropic bulk conduction, circa 100 times higher in‐plane than cross‐plane. To remove the surface layer, a simple surface abrasion is shown to achieve deep ohmic electrical contact to the elastomer bulk. A three‐terminal method for verifying ohmic contacts is demonstrated and works even when all contacts are non‐ohmic. This three‐terminal method be easily applied to other conductive polymers for contact quality‐testing.
Adjustable Selectivity for CO2 Electroreduction to Ethylene or Ethanol by Regulating Interphases Between Copper and Tin Oxides
Authors: Liu Huan , Yang Chenghan , Bian Tong , Yu Huijun , Zhou Yuming , Zhang Yiwei , Sun Li 
Published: February 2025

AbstractEnhancing the selectivity of C2 products and revealing the reaction mechanisms in CO2 electroreduction reaction (CO2RR) remain challenging. Regulating the interphases in catalysts is one of the most promising pathways. Herein, the interphases between copper (Cu) and tin (Sn) oxides are regulated by controlling the degree of reduction during the self‐assembly process, which exhibits obvious different selectivity to ethylene and ethanol, respectively. The interphase in Cu‐SnO2 exhibits selectivity to ethanol as high as 74.6%, while the interphase in Cu2O‐SnO2 shows selectivity to ethylene as high as 71.4% at –0.6 V versus RHE. In situ Fourier‐transform infrared spectroscopy measurements and density functional theory calculations demonstrate that the interphase in Cu‐SnO2 shows strong electron interaction, preferentially forming the key *COH intermediates for asymmetrical C─C coupling to produce ethanol. In contrast, Cu2O‐SnO2 possesses oxygen vacancies at both sites, thus enriching *CO intermediates for symmetrical C─C coupling to produce ethylene at the interphase. The findings in this work offer an advanced strategy by regulating the interphases to adjust C2 selectivity in CO2RR.
On the Electrochemical Performance and Capacity Losses Seen for LiFePO4 Electrodes in Carbonate Electrolytes at Potentials up to 5.0 V versus Li+/Li
Authors: Etman Ahmed S. , Nyholm Leif 
Published: February 2025

Lithium iron phosphate (LFP) is widely considered as a low‐potential positive electrode material. Herein, the high‐voltage stability and capacity retention of LFP composite electrodes are investigated at potentials up to 5.0 V (versus Li+/Li) using Li‐metal containing half‐cells and an electrolyte composed of 1.0 M LiPF6 dissolved in 1:1 ethylene carbonate (EC)/diethyl carbonate (DEC). The results indicate that LFP electrodes are stable at such high potentials and that cycling up to 5.0 V (versus Li+/Li) at a rate of 1 C yields a 15% higher capacity compared to cycling up to 4.0 V (versus Li+/Li). The results further indicate that the lithiation of delithiated LFP electrode is incomplete. This yields a diffusion‐controlled capacity loss as some Li+ ions (and associated electrons) diffuse too far into the electrode to be accessible on the timescale of the subsequent delithiation. Analogue diffusion‐controlled capacity losses are also demonstrated for LFP–graphite full‐cells cycled up to 4.0 and 5.0 V. These insights, pave the way for new approaches to minimize capacity losses for lithium‐ion batteries. The demonstrated high‐voltage stability of LFP, also indicates that LFP can be used as a protective coating on high‐voltage transition metal oxide positive electrodes.
Applicability of soil pore size distribution derived from digital microscopy images to determination of water retention curve
Authors: Hayashi Yuki 
Published: February 2025

AbstractInformation on the water retention curve (WRC) is required for the numerical simulation of water flow; however, its acquisition is time‐ and cost‐consuming. In this study, the applicability of two‐dimensional (2D) image of soil taken by a digital microscope to WRC measurement was assessed. For this purpose, four undisturbed soil samples were collected at surface (10–15 cm) and undersurface (22.5–27.5 cm) depths to acquire 2D images and measure WRCs from the conventional method, pressure plate method. To derive the WRCs, soil pore‐size distribution in soil images was manually extracted using the following three methods: In Methods 1 and 2, the fuzzy region and the dark region, respectively, in the image were assumed to be a soil pore, and in Method 3, the pore boundary, being assumed to be a bright part, connected the lines and divided the region into pores. Method 3 had much large‐size pores (>75 µm in radius) at deeper depths than at surface depths. This trend was the same as the pressure plate method. The WRCs in three methods were well fitted to the lognormal model. In all methods, the values of parameter of θe were larger at surface layers than at deeper depths, of which similar result was also seen in the pressure plate method. We discussed applicability of the parameters. It is effective to determine θe from the pressure plate method and the other parameters (ψm and σ) from the image‐based method. From those analyses, it could be said to prove to obtain WRC from an image‐based method.