Browse Articles

Agentic and Generative AI for Drug Discovery

Machine learning-based identification of m6A-regulated lncRNA AC022509.1 as a key modulator of EMT in breast cancer

Abstract N6-methyladenosine (m6A), a key RNA epigenetic modification, plays a crucial role in regulating tumor malignancy. The mechanisms by which m6A regulates long noncoding RNA (lncRNA) in the malignant phenotype of epithelial–mesenchymal transition (EMT) require further exploration. This study combines bioinformatics analysis and cell experiments to investigate the role of m6A-regulated lncRNA in EMT. Bioinformatics data from The Cancer Genome Atlas database were analyzed. In vitro experiments established a stable overexpression cell line to investigate AC022509.1’s regulatory effect on the invasive and migratory phenotype of breast cancer. We employed RT-qPCR and western blot to investigate the regulatory impact of IGF2BP2 knockdown and overexpression on AC022509.1. We identified 481 lncRNAs that were co-expressed with m6A modifiers and EMT-related genes. Subsequent survival analysis identified 15 lncRNAs with prognostic significance. Utilizing the random forest method, AC022509.1 was determined to have the highest prognostic value among the identified lncRNAs. Analysis of transcriptomic and clinical data from patients with breast cancer reveals that AC022509.1 is under-expressed in breast cancer tissues, with higher expression levels associated with a favorable prognosis. A negative correlation was observed between lymph node metastases and AC022509.1 expression levels, which was further validated by clinical samples. Bioinformatics analyses indicate that AC022509.1 is linked to multiple tumor-related signaling pathways and negatively correlates with EMT scores. Experimental studies reveal that AC022509.1 overexpression reduces the invasiveness and migratory capabilities of MCF-7 and MDA-MB-231 cell lines. Furthermore, differential and correlation analyses reveal a significant association between AC022509.1 and the m6A regulatory factor IGF2BP2. Cell-based experiments show that IGF2BP2 regulates the expression level of AC022509.1. AC022509.1 functions as a tumor suppressor in breast cancer and is valuable as a prognostic marker and diagnostic target. Downregulation diminishes the invasive and migratory capabilities of breast cancer cells, with expression regulated by the m6A factor IGF2BP2.

Siloxane Molecular Glue for Ultrarobust Interface Engineering in High‐Performance Colloidal Quantum Dot Infrared Image Sensors

ABSTRACT Interfacial defects and poor mechanical robustness critically limit the performance of colloidal quantum dot (CQD) photodiodes for infrared imaging. Here, we introduce a bifunctional organosilane, (3‐mercaptopropyl) methyldimethoxysilane (MDMS), as an interfacial layer to simultaneously address these challenges in inverted PbS CQD photodiodes. MDMS molecules form robust covalent bridging at the CQDs/electron transport layer (ETL) interface through thiol‐based coordination and hydrolysis‐condensation into a cross‐linked siloxane network. This interface engineering not only reinforces mechanical adhesion (achieving 5B rating in ASTM D3359 tests vs. 0B/1B for C 60 controls) but also provides an ideal nucleation surface for ALD‐grown SnO 2 ETL, suppressing island‐like growth and interfacial defects. The optimized devices deliver a specific detectivity of 2.37×10 12 Jones at 1550 nm under 0 V while maintaining 79% EQE under −0.1 V, with dark current reduced by >50% compared to C 60 ‐based controls. Monolithic integration with a silicon ROIC yields a SWIR imager with outstanding photoresponse non‐uniformity (2.8%) and spatial resolution (26 lp/mm at 50% MTF), demonstrating silicon wafer perspectivity and material discrimination. This work provides an efficient strategy for addressing interfacial issues in CQD optoelectronics.

Remarkable disposal of Rhodamine 6G dye from aqueous media employing easily fabricated novel nanocomposites

Robust Biomass Hydrogel Electrolyte via Cytoplasm Reconstruction for Ah‐Level Aqueous Batteries

ABSTRACT Developing sustainable and economic biomass hydrogel electrolyte is highly desired but confronts significant challenges for solid‐state aqueous batteries. Herein, we propose biomass‐cytoplasm reconstruction strategy and develop a type of biomass hydrogel electrolyte with robust mechanical strength of 11.6 MPa, high ion conductivity of 20.27 mS cm −1 , and ultrahigh diffusion coefficient of 1.4 × 10 −5 cm 2 s −1 , where hydrogel electrolyte is fabricated by the facile and energy‐efficiency brining technique. The brining of natural biomass in aqueous electrolytes maintains the self‐supported cytoderm framework but in situ induce polysaccharide/protein cytoplasm reconstruction to acquire ion channels. As a proof of concept, kombu‐based hydrogel electrolyte endows zinc metal batteries with the high current discharge ability of 100 mA cm −2 , the ultra‐wide working temperature from −60°C to 80°C, and the stable cycling‐life of 400 cycles for Ah‐level pouch batteries, as well as the practical verification of the integrated photovoltaic‐battery energy storage systems. Biomass‐cytoplasm reconstruction concept is also demonstrated by aluminum metal batteries to verify the universality, and endow biomass hydrogel electrolyte with threefold cost reductions and notable sustainability advantages compared with petroleum‐based hydrogel electrolyte. This work not only provides a new prototype to design high‐performance hydrogel electrolyte for aqueous batteries but also realizes green and sustainable development.

The impacts of beta globin gene mutations and Xmn IGγ polymorphism (HBG2 c. -211 C > T) on the clinical features of Hb Eβ-thalassemia patients in Bangladesh

Abstract Haemoglobin E β-thalassemia (Hb Eβ-thal), characterized by the presence of codon 26 (G > A), HBB :c.79G > A mutation with another pathogenic variant is a common blood disorder in South-Asia, especially in Bangladesh. The disorder can range from mild and asymptomatic anemia to life-threatening forms. Here, we performed molecular analysis to understand how mutations in the HBB gene and the XmnI polymorphism influence the severity and transfusion requirements in patients with Hb Eβ-thalassemia. This study found that individuals with the codon 16 (-C), HBB :c.51delC mutation required regular blood transfusions, whereas those with the codon 30 (G > C), HBB :c.92G > C mutation had the lowest transfusion dependency, at only 6.7%. Patients with codon 30 (G > C), HBB :c.92G > C mutation had the highest response to hydroxyurea therapy (76.7% ( n  = 23)), while patients with codon 16 (-C), HBB :c.51delC mutations had the lowest response (0% ( n  = 14)). The codon 16 (-C), HBB :c.51delC mutation was associated with the lowest mean HbF level (24.8%, SD = 7.7), whereas the codon 30 (G > C), HBB :c.92G > C mutation was associated with the highest mean HbF level (41.9%, SD = 16.10). Regarding XmnI polymorphism, codon 16 (-C), HBB :c.51delC mutation was associated with the highest wild type (-/-) ( n  = 11) genotype, while codon 30 (G > C), HBB :c.92G > C mutation was associated with the highest homozygous mutated (+/+) ( n  = 11) and the least wild type (-/-) ( n  = 4) of XmnI polymorphism genotype. This study provides clinically relevant insights into treatment strategies involving HU therapy and the management of Hb Eβ-thalassemia patients with codon 30 (G > C), HBB :c.92G > C and codon 16 (-C), HBB :c.51delC mutations.

Low‐Valent RuIr Oxide With Reversible Valence Dynamics and Robust Framework for Oxygen Evolution Electrocatalysis

ABSTRACT The widespread deployment of proton exchange membrane water electrolyzers for hydrogen production is hindered by a lack of durable and active anode electrocatalysts for the oxygen evolution reaction (OER). Here, we report a class of low‐valent RuIr oxide nanocatalysts that simultaneously achieve high OER activity and durability. Through an ethylene glycol‐mediated reduction, the conventional RuIr oxide framework with metals in tetravalent oxidation states is transformed into a distorted monoclinic structure in which Ru and Ir are stabilized at reduced valence states below +4. A combination of in situ spectroscopies and isotope‐tracing mass spectrometry reveals a dynamic yet structurally robust behavior of the chemically reduced catalyst. During OER, Ru and Ir undergo reversible valence changes and recover after potential relaxation, while the oxide framework remains unchanged and the catalyst follows the adsorbate evolution mechanism. In a PEMWE cell, the optimal catalyst achieves current densities of 1.0 A cm −2 at 1.61 V and 2.0 A cm −2 at 1.74 V, with low degradation rates over 2000 h for each current density, and retains more than 94% of its initial activity after 40 000 dynamic voltage cycles. The low‐valent strategy, with dynamic adaptability and structural robustness, offers an efficient design principle for high‐performance RuIr‐based catalysts.

Civilian threat reduces distance perceptions and officer punishment in police use-of-force encounters

Day–Night Visual Perception Enabled by Vis–NIR Broadband Adaptive Transistors

ABSTRACT Broadband adaptive vision is pivotal in enabling robust day–night visual operation in applications like autonomous driving and smart security. However, most existing active perception systems are confined to the visible spectrum regime. Here, we report a Vis–NIR broadband organic active adaptation transistor (VN‐OAAT) by incorporating a dielectric embedded with ternary bulk‐heterojunction, which simultaneously broadens the spectral response (400–1200 nm) and tunes the charge trapping activation energy. Through precise donor–acceptor compositional engineering, the device exhibits light‐intensity‐dependent photoresponse that enables photopic adaptation under high‐illumination conditions and efficient photodetection in low‐light environments, each spanning four orders of magnitude in intensity. Imaging experiments and simulations demonstrate that the device ensures all‐day accurate vision with recognition accuracy over 96%. This ternary‐heterojunction strategy addresses the intrinsic mismatch between high‐performance NIR semiconductors and OAAT, establishing an efficient platform for broadband adaptive sensing in day–night machine vision applications.

Leveraging inertial sensors and dynamic time warping to identify biomarkers for gait impairment in hereditary spastic paraplegia: an exploratory study

Abstract Hereditary Spastic Paraplegia (HSP) is a rare neurodegenerative disorder characterized by progressive spasticity and weakness of the lower limbs, associated with gait impairment. While inertial measurement units (IMUs) have shown promise in monitoring mobility, objective biomechanical biomarkers of gait dysfunction remain underdeveloped. This study aimed to evaluate whether normalized root mean square error (nRMSE), calculated after Dynamic Time Warping (DTW) alignment of gyroscopic gait cycle profiles, could serve as a candidate biomarker for gait impairment in HSP. We conducted a cross-sectional pilot study involving six individuals with clinically diagnosed HSP and six broadly comparable healthy controls. Participants walked along a nine-meter walkway under standardized conditions, wearing two IMUs on the shanks. Sagittal plane angular velocity was extracted from each gait cycle. Gait parameters were computed, and each participant’s mean gait cycle was aligned to the control mean using DTW. Deviations were quantified using nRMSE. Clinical assessments included the SPATAX-EUROSPA Disability Score and observable items from the Spastic Paraplegia Rating Scale (SPRS). HSP participants showed longer stance times, slower speeds, and higher nRMSE scores. nRMSE was strongly correlated with SPATAX ( R = 0.967) and SPRS ( R = 0.982) in linear regression models. These findings support the potential utility of nRMSE as an objective, sensor-derived marker of gait impairment in HSP, warranting further validation in larger and longitudinal cohorts.

Oxygen‐Regenerative NIR Aza‐BODIPY Photosensitizers for Hypoxia‐Tolerant Photodynamic Therapy

ABSTRACT Near‐infrared (NIR) photosensitizers (PSs) capable of producing cytotoxic reactive oxygen species (ROS) via oxygen‐engaged electron‐ and energy‐transfer pathways under excitation beyond 800 nm are highly attractive for deep‐tissue photodynamic therapy (PDT). However, their ROS generation is fundamentally limited by the low photon energy of long‐wavelength excitation and the hypoxic tumor microenvironment. Herein, we report three oxygen‐regenerative NIR aza‐BODIPY PSs for efficient hypoxia‐tolerant PDT under 808 nm excitation. Mechanistic studies identify PS radical‐ion pairs as the key intermediates that couple water oxidation‐driven in situ O 2 /proton (H + ) generation with downstream oxygen reduction to enable efficient hypoxia‐tolerant •OH production. In parallel, efficient H + generation and strong H + affinity of the target PS ( NJ853 ) promote H + ‐engaged oxygen photoreduction, affording a ∼56‐fold enhancement in •OH generation compared with commercial PS indocyanine green (ICG). This hypoxia‐tolerant intracellular ROS generation enables NJ853@NPs to induce apoptosis‐dominant cancer cell killing and superior in vivo PDT efficacy under 808 nm irradiation. This work establishes an oxygen‐regenerative photoredox pathway for NIR PSs, opening a new avenue to overcome the longstanding hypoxia limitation in deep‐tissue PDT.

Economic optimization and stability enhancement of a network integrating renewable DG sources with UPFC controller

Toughening Artificial Spider Silk via Glue‐Like Nanoparticle Crosslinks

ABSTRACT Natural spider silk achieves its exceptional performance through the synergy of rigid β‐crystallite anchors and stretchable, energy‐dissipating β‐sheet domains. However, perfectly replicating this architecture in biomimetic systems remains a significant challenge. Here, we report the development of super‐tough artificial silk fibers utilizing a hybrid covalently anchored network (CGN) architecture based on bioinspired glue‐like nanoparticles (GNPs). By integrating these GNP cross‐links into a stable covalent network, we created a system where adsorbed polymer chains on the GNPs form dynamic loops with substantial hidden lengths. Upon stretching, these loops unfold and dissipate massive energy via the sacrificial rupture of interfacial bonds, mimicking natural β‐sheet domains. Crucially, adjusting GNP cross‐link size and interfacial binding strength enables precise tuning of the fiber's mechanical balance. Furthermore, the stable covalent skeleton serves as a topological anchor, imposing entropic penalties on chain desorption. This constraint suppresses polymer detachment from the GNP surfaces, compelling chains to undergo stress‐induced orientation and assemble into highly aligned nanofibrils. The resulting fibers achieve a tensile strength of 1.25 GPa and a toughness of 306 MJ m −3 , successfully reproducing the strength–toughness synergy of native silk. This approach offers a scalable pathway for engineering high‐performance fibers for applications in artificial muscles and advanced actuators.

Tri-level stochastic optimization for optimal switch placement in distribution systems under distributed generation uncertainty and electric vehicle charging demand

Ferrous Pyrophosphate Hollow Nanorods Enable Lithium Metal Batteries Under Low Negative/Positive Capacity Ratios

ABSTRACT Lithium (Li) metal batteries (LMBs) exhibit a promising paradigm for their high energy density. However, their realization is still hindered by the inherent instability and excess of Li metal. Herein, we rationally design and synthesize ferrous pyrophosphate hollow nanorods encapsulated by an N‐doped carbon shell (Fe 2 P 2 O 7 @NC) as a Li host for Li metal anodes (LMAs). The Fe 2 P 2 O 7 @NC‐casted Cu electrode (Fe 2 P 2 O 7 @NC‐Cu) guides uniform Li deposition and suppresses volume expansion, enabling uniform Li plating and enhanced Coulombic efficiency. Time‐of‐flight secondary ion mass spectrometry and in‐depth X‐ray photoelectron spectroscopy analyses reveal that the existence of Fe 2 P 2 O 7 promotes the generation of LiF and Li 2 O in LMAs, thereby promoting uniform Li plating. The Fe 2 P 2 O 7 @NC‐Li electrode presents stable Li deposition/stripping with small voltage polarization for 1400 h at 1 mA cm −2 and 1 mAh cm −2 . Furthermore, a full cell coupled with a LiFePO 4 cathode, demonstrates consistent cycling stability, maintaining a capacity retention of 80.6% over 136 cycles at a low negative/positive capacity ratio of 1.5, highlighting the great potential of Fe 2 P 2 O 7 @NC for practical high‐energy‐density LMBs.

Admissible-state reasoning across public operational and physical systems: regime-conditioned feasibility and the pooling artefact index

Metal‐Oxide Heterostructure on Hierarchical Nanoporous Alloy for Highly Efficient Ethylene Glycol Electrooxidation Toward Sustainable PET Upcycling

ABSTRACT Renewable electricity‐driven polyethylene terephthalate (PET) hydrolysate electrolysis is a sustainable plastic upcycling technique to produce valuable chemicals, but it usually undergoes insufficient efficiency and selectivity to complicate product separation processes. Here we report nonprecious Co 3 O 4 ‐CuO heterostructure in‐situ integrated on CuCo alloy skeleton as an efficient electrocatalyst to selectively mediate electrooxidation of ethylene glycol in PET hydrolysate to formate and hydrogen for simple and cost‐effective monomer separation. It exhibits exceptional activity (∼930 mA cm −2 at 1.5 V vs. reversible hydrogen electrode) and selectivity (>98 %) as a result of the construction of Co─O─Cu linked CoOOH─CuO multiple active regions for *OH and *OHCH 2 CH 2 OH co‐adsorption, which enables the formation of interfacial hydrogen‐bond coordination to accelerate C─H and C─C bond cleavage. This electrocatalyst is successfully applied in PET hydrolysate electrolyser for stable operation at ∼500 mA cm −2 over 1000 h to continuously produce formate and green hydrogen without performance degradation, showing an industrial perspective of plastic upcycling.

Mapping the transition: the interplay of technology and natural disasters on sustainable energy in G20 nations

Chiral Altermagnetic Magnetoelectrics

ABSTRACT In this work, we introduce a new class of chiral altermagnetic magnetoelectrics in structurally chiral, nonpolar altermagnetic systems and identify the experimentally well‐characterized three‐dimensional metal–organic framework K[Co(HCOO)] as a promising material platform. K[Co(HCOO)] exhibits chirality‐locked g ‐wave altermagnetic spin splitting together with dual‐mode switchable electric polarization controlled by Néel‐vector reorientation and structural chirality. Specifically, Néel‐vector reorientation generates a finite electric polarization and reverses its sign, whereas chirality switching between left‐ and right‐handed enantiomers produces an additional sign reversal. The associated electronic and optical responses provide effective readout channels for these switchable states. Our results establish chiral altermagnetic magnetoelectrics as a promising route to chirality‐ and Néel‐vector‐controlled nonvolatile multifunctional spintronics.

Synthesis, multifunctional properties, and photocatalysis of cobalt ferrite (CoFe₂O₄) nanoparticles

Abstract This study focuses on synthesizing cobalt ferrite (CoFe₂O₄) nanoparticles via a sol-gel method using ethylene glycol (EG) and polyethylene glycol (PEG) as capping and stabilizing agents, and examines their effects on structural, optical, magnetic, dielectric, and photocatalytic properties. Various characterization techniques, including X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), and UV-Vis diffuse reflectance spectroscopy (DRS), were used to investigate the incorporation of CoFe₂O₄ and the stabilizers. Both EG- and PEG-capped nanoparticles exhibited a cubic spinel structure. PEG enhanced crystallinity and dispersion, whereas EG facilitated nucleation, yielding smaller, more agglomerated particles. Magnetic measurements revealed that PEG-capped nanoparticles had a higher saturation magnetization (70.1 emu·g⁻¹), whereas the EG-capped nanoparticles demonstrated greater coercivity (about 550 G). Dielectric studies indicated that PEG-derived samples exhibited higher permittivity and alternating current (AC) conductivity. In the photocatalytic degradation of Rhodamine B under UV light, EG-derived nanoparticles achieved 95.8% degradation in 115 min, while PEG-derived nanoparticles reached 96.2% degradation in 150 min. This study provides a clear comparative understanding of how the molecular weight and chain length of polyol stabilizers (EG and PEG) influence the structure-property relationships in CoFe₂O₄ nanoparticles.