We present an open-source program, QR$^2$-code, that computes double-resonance Raman (DRR) spectra using first-principles calculations. QR$^2$-code can calculate not only two-phonon DRR spectra but also single-resonance Raman spectra and defect-induced DRR spectra. For defect-induced DDR spectra, we simply assume that the electron-defect matrix element of elastic scattering is a constant. Hands-on tutorials for graphene are given to show how to run QR$^2$-code for single-resonance, double-resonance, and defect-induced Raman spectra. We also compare the single-resonance Raman spectra by QR$^2$-code with that by QERaman code. In QR$^2$-code, the energy dispersions of electron and phonon are taken from Quantum ESPRESSO (QE) code, and the electron-phonon matrix element is obtained from the electron-phonon Wannier (EPW) code. All codes, examples, and scripts are available on the GitHub repository.
Intracranial germ cell tumors (iGCTs) are rare, histologically classified as extragonadal germ cell tumors, and predominantly affect children and adolescents. These tumors are commonly found in the midline of the brain, with a notable male predominance and varying geographic incidences. The origins of iGCTs have been debated, particularly whether they arise from abnormal migration of primordial germ cells (PGCs) or transformed embryonic stem cells (ESCs). In this study, we hypothesize the potential presence of PGC-like cells in the pituitary gland, and these cells may differentiate into iGCTs during the complex and frequent regulation of the hypothalamic-pituitary–gonadal axis (HPGA).We analyzed the expression of four germ cell markers—MVH, OCT4, C-kit, and PLZF—using immunohistochemistry, Western blotting, and real-time quantitative PCR in human pituitary tissues, pituitary tumors, and pituitary germ cell tumors. Our findings indicate significant expression of these markers in pituitary tissues, with the highest levels found in pituitary germ cell tumors. These results support the existence of PGC-like cells that within the normal pituitary gland. This study provides new insights into the cellular origins of iGCTs and suggests further investigation into the regulatory mechanisms that may lead to tumorigenesis.
Black phosphorus (BP) exhibits a broad spectrum of double-resonance Raman (DRR) peaks from 500 to 10 0 0 cm-1, which provide valuable information on symmetry and phonon. However, previous assignments of phonons associated with the DRR peaks have not yielded consistent results because most optical phonon branches are densely located in the small frequency region of 350-500 cm-1. In this study, we calculate the DRR spectra using a first-principles approach that accounts for both the electron-photon and electron-phonon matrix elements. Based on the calculated Raman tensor, we present polarized Raman spectra of each DRR peak, which reproduce the experimental polarized Raman spectra. We find that most of the DRR peaks originate from a specific phonon wavevector in the Brillouin zone. Ag-like linearly and circularly polarized DRR spectra are observed and calculated, which can be ascribed to the phase difference between diagonal elements of the Raman tensor. Our assignments, combined with group-theory analysis, have provided a grounded origin of the DRR peaks of BP. (c) 2025 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
Lithium‑sulfur batteries (LSBs) are promising candidates for next-generation energy storage systems due to their high theoretical specific capacity (1675 mAh g−1). However, practical applications are hindered by the polysulfide (LiPS) shuttle effect and lithium dendrite growth. Metal-organic frameworks (MOFs), with high porosity, tunable pore size, and abundant active sites, are ideal materials for separator modification to suppress LiPS migration. Compared to monometallic MOFs, bimetallic MOFs exhibit superior electrocatalytic activity and ion transport due to synergistic effects. This paper summarizes recent progress in the use of bimetallic metal-organic frameworks for separator modification, emphasizing design strategies, performance optimization, and electrochemical differences with monometallic MOFs based on experimental data. It also analyzes the current limitations of LSB research. To advance commercialization, strategies such as designing multifunctional integrated separators for improved interfacial stability and LiPS confinement, screening bimetallic catalysts to enhance redox kinetics, and optimizing scalable manufacturing processes were proposed. These targeted approaches aim to overcome bottlenecks and accelerate the transition of LSB technology from lab-scale research to real-world applications.
Reconstruction of critical-sized bone defects remains a formidable clinical challenge, particularly when complicated by bacterial infection and a hostile inflammatory microenvironment. Conventional biomaterials often function merely as structural fillers, lacking the intrinsic capability to simultaneously eradicate bacterial threats, scavenge reactive oxygen species (ROS), and modulate the immune response. In this study, a multifunctional biomimetic hydrogel system (Sr/Zn-SiO2-hy) was engineered as a dynamic microenvironment modulator to overcome these limitations. This hydrogel matrix was composed of modified chitosan and gelatin methacryloyl to mimic the extracellular matrix, while incorporated dopamine moieties provided potent antioxidant capabilities to scavenge ROS and further protect vascular beds. Crucially, the embedded strontium/zinc co-substituted mesoporous silica nanoparticles enabled the continuous release of bioactive Sr and Zn ions. The released ions not only synergistically exerted potent antibacterial activity with chitosan but also actively steers macrophage polarization from the pro-inflammatory M1 to the pro-regenerative M2 phenotype, subsequently upregulated BMP-2 secretion to drive osteogenesis. In vivo evaluation in a rat cranial defect model demonstrated that Sr/Zn-SiO2-hy significantly accelerated bone healing, characterized by enhanced bone mineral density, robust vascularization, and optimized immunomodulation. This study presents a comprehensive strategy for remodeling the pathological microenvironment to facilitate advanced bone regeneration.
Background: Vascular remodeling is an important process in various vascular diseases. Perivascular adipose tissue (PVAT) could regulate the pathological processes of vascular remodeling through microRNAs (miRNAs) carried by the exosomes of adipocytes. We previously demonstrated that angiotensin II type 2 receptor (AT2R) plays a critical protective role in vascular remodeling. However, the effects of adipocytes and their exosomal miRNAs on AT2R-mediated improvement in vascular remodeling and the underlying mechanisms are not yet fully understood. Methods: Vascular modeling was induced by polyethylene cuff placement on the femoral artery in 8-week-old male C57BL/6J mice. Mice were treated with AT2R agonist, compound 21 (C21) (1 or 10 μg/kg/day) after cuff placement. Neointima formation and cell proliferation were respectively assessed by EVG and PCNA staining. mRNA expressions of superoxide anion production and inflammatory cytokines were examined by PCR. Mouse primary aortic endothelial cells (ECs) and mouse adipocytes differentiate from embryonic fibroblast were cocultured with or without 5 μg/mL Lipopolysaccharide (LPS) and/or 10 µmol/L C21. Cell viability assay was assessed by CCK-8 reagent. Protein expression was assessed by immunofluorescence staining or immunoblot analysis. The levels of miRNAs were detected via qPCR, and the target mRNA was tested via a luciferase activity assay. Results: C21 significantly attenuated the increase of neointima formation and cell proliferation both in the intima, media and PVAT after cuff placement. Moreover, C21 could significantly improve endothelial cell damage in ECs co-cultured with adipocytes, but not in ECs cultured alone. The increase of mRNA expressions of NAD(P)H oxidase subunits, inflammatory factors, and the protein expressions of p-PI3K/PI3K, p-Akt/Akt and HIF-1α, and the decrease of relative fluorescence intensity of CD31 and VEGFa, and the protein expression of PTEN in LPS group compared with CON group, could be significantly reversed after C21 treatment when ECs were co-cultured with adipocytes. Moreover, AT2R-mediated improvement of endothelial cell damage was partially achieved by decreasing the level of miRNA-29a-3p in the exosomes secreted from active adipocytes. PTEN mRNA was the target of miRNA-29a-3p in endothelial cell damage co-cultured with adipocytes after C21 treatment. Conclusion: Our results suggested that AT2R improvement of vascular remodeling after vascular injury was partially achieved by reducing the level of miRNA-29a-3p in the exosomes secreted from PVAT, through targeting PTEN mRNA, inhibiting the p-PI3K/PI3K-p-Akt/Akt-HIF-1α signaling pathway and increasing angiogenesis.
Calcium interference therapy (CIT) is a promising cancer therapeutic strategy, but its efficacy is limited by intrinsic cellular calcium regulation. To address this limitation, herein, a near-infrared (NIR)-responsive nanoplatform, UC@COFs@CaO2-HA/PAG/ICG (UCCPI), integrating dual-amplified CIT with photodynamic therapy (PDT) is engineered to enhance therapeutic outcomes. The core-shell upconversion nanoparticle-engineered covalent organic framework nanocomposites (UC@COFs) serve as both pH-dependent fluorescent probes for cancer cell imaging and drug-delivery carriers co-loading photoacid generators (PAG) and photosensitizer indocyanine green (ICG). The embedded upconversion nanoparticles (UCNPs) convert 980 nm NIR light into visible emissions, enabling spatiotemporal PAG activation for localized H+ release and overcoming UV/visible light depth limitations. Surface-modified hyaluronic acid (HA)-functionalized CaO2 nanoparticles provide pH-responsive Ca2+/O2 reservoirs, facilitating CD44-mediated tumor targeting and PDT-supportive hypoxia alleviation. Crucially, NIR-triggered H+ generation simultaneously drives dual calcium amplification through accelerated CaO2 decomposition and potentiated acid-sensitive ion channel-mediated Ca2+ influx, while fueling ICG-mediated ROS generation via O2 supply for PDT. These interconnected processes synergistically amplify mitochondrial calcium overload and oxidative damage. Collectively, UCCPI demonstrates excellent biocompatibility, precise tumor targeting, and self-amplifying therapeutic effects both in vitro and in vivo. This work presents a tumor microenvironment-targeted strategy to potentiate mitochondrial dysfunction through integrated ion interference and oxidative stress mechanisms.
Stimuli-responsive contrast agents (CAs) have shown great promise in enhancing magnetic resonance imaging (MRI) for more accurate tumor diagnosis. However, current CAs still face challenges in achieving high accuracy due to their low specificity and contrast signals being confounded by potential endogenous MRI artifacts. Herein, an extremely small iron oxide nanoparticle (ESIONP)-based smart responsive MRI contrast agent (LESPH) is proposed, which is meticulously designed with sequential dual biochemical stimuli-initiated, time-resolved T1 and T2 contrast presentation, ensuring high tumor specificity while minimizing interference from endogenous artifacts. LESPH is constructed using emulsion solvent evaporation by assembling poly(2-(hexamethyleneimino) ethyl methacrylate) terminally conjugated with a disulfide bond-linked catechol group (DSPH)-modified ESIONPs, with lauryl betaine serving as a surfactant. When LESPH undergoes sequential responses to the weak acidity and high-concentration glutathione (GSH) in the tumor microenvironment, it experiences an extremely rapid transition from sparse ESIONP assemblies to dispersed ESIONPs, followed by a slower transition to closely aggregated ones, concomitantly providing distinguishable brightening and darkening contrast enhancement at the tumor location on different time scales. By virtue of its sequential dual responsiveness and time-resolved distinguishable contrast enhancements, LESPH successfully detects tumors with extremely high accuracy, providing a novel paradigm for the precise medical diagnosis of cancer.
MRG15, a chromatin remodeling protein, plays a pivotal role in cellular senescence and proliferation. However, the precise roles and mechanisms of MRG15 in aging regulation remain unclear. Our research elucidates the distinct functions of MRG15's splice variants in aging. We find that MRG15L, contrary to the previously assumed MRG15S, accumulates with advancing age. Using histone peptide binding assays and protein interaction analysis, we demonstrate that MRG15L exhibits reduced affinity for histone H4 acetylation sites, thereby weakening CDK1 regulation, leading to G2/M phase arrest and promoting cellular senescence. During postnatal cardiac development, MRG15L expression increases and is linked to reduced regenerative capacity. Moreover, targeted knockout of MRG15L in mice enhances cardiac repair and regeneration following myocardial ischemia-reperfusion injury. These findings highlight MRG15L as a promising therapeutic target for age-related diseases, revealing its critical role in modulating aging pathways through alternative splicing.
Reactive oxygen species (ROS) are essential by-products of cellular metabolism and serve as key mediators in cell signaling and homeostasis. Excessive ROS production is associated with cellular damage and various diseases. Therefore, targeted ROS scavenging may enhance therapeutic efficacy and minimize side effects. With significant progress in nanotechnology, various nanomaterials with targeted ROS-scavenging properties have been developed to modulate ROS levels in biological microenvironments. In this review, the mechanisms underlying ROS generation and elimination in humans and in ROS-related diseases are first outlined. The latest advancements in ROS-scavenging nanomaterials, particularly their mechanisms and composition-based classifications, are then focused on. Strategies for improving the targeting ability of ROS-scavenging nanomaterials and their application in the therapeutics of ROS-induced diseases such as Alzheimer's disease, rheumatoid arthritis, acute kidney injury, diabetic wounds, and cancer are highlighted. Finally, the challenges faced by ROS-targeted nanotherapeutics are discussed, and possible alternatives to accelerate their clinical translation are proposed.
The oxidative degradation of plastics in conjunction with the production of clean hydrogen (H 2 ) represents a significant challenge. Herein, a Ni 3 S 4 /ZnCdS heterojunction is rationally synthesized and employed for the efficient production of H 2 and high‐selectivity value‐added chemicals from waste plastic. By integrating spectroscopic analysis techniques with density functional theory (DFT) calculations, a solely electron transfer‐mediated reaction mechanism is confirmed, wherein Ni 3 S 4 extracts electrons from ZnCdS (ZCS) to promote the spatial segregation of photogenerated electrons and holes, which not only facilitates H 2 production but also maintains the high oxidation potential of holes on the ZCS surface, favoring hole‐dominated plastic oxidation. Notably, the catalyst exhibited efficient H 2 production rates as high as 27.9 and 17.4 mmol g −1 h −1 , along with a selectivity of 94.2% and 78.3% in the liquid product toward pyruvate and acetate production from polylactic acid (PLA) and polyethylene terephthalate (PET), respectively. Additionally, carbon yields of 26.5% for pyruvate and 2.2% for acetate are measured after 9 h of photoreforming, representing the highest values reported to date. Overall, this research presents a promising approach for converting plastic waste into H 2 fuel and high‐selectivity valuable chemical products, offering a potential solution to the growing issue of “ White Pollution ”.
Self-assembled spheroids provide substantial cell-cell interactions and cytoarchitectural complexity. However, the lack of bio-instructive cues can hinder cell differentiation, prompting the adoption of fiber-reinforced spheroids in tissue engineering. Herein, electrospun nanofibrous membrane were photochemically crosslinked, fragmented into short nanofibers (SNFs), and then surface-modified with mussel-inspired polydopamine (pDA). pDA-coated SNFs (pDA-SNFs) were incubated in simulated body fluid to induce nucleation and growth of a nanoscale hydroxyapatite layer in order to form mineralized pDA-SNFs (M-pDA-SNFs). We studied the structural properties, surface chemistry, thermal properties, crystallinity, and chemical composition (Ca/P ratio) of SNFs, pDA-SNFs, mineralized SNFs, and M-pDA-SNFs. We then produced M-pDA-SNFs reinforced spheroids with MC3T3-E1 cells using a low-adhesion U-bottom microplate. Our results highlighted that pDA modification activated the fiber surface and promoted uniform apatite deposition with a Ca/P ratio similar to that of biological apatite. Hydroxyapatite deposition subsequently enhances the roughness, thermal, and bioactive properties of scaffolds. The mineralized pDA-SNFs were biocompatible and supported osteogenic differentiation and matrix maturation more than non-mineralized fibers. Furthermore, M-pDA-SNFs not only promoted the assembly of MC3T3-E1 pre-osteoblasts into spheroids but also directed osteogenic lineage commitment, thereby providing a cell-instructive, bone-mimetic milieu essential for advanced bone regeneration.
Plastic pollution has emerged as a significant global concern due to its potential threat to human health. The advancement of self-powered photoelectrochemical (PEC) sensors based on dual-photoelectrode presents ongoing challenges. The photoanode PEC analysis method is normally employed due to its remarkable photocurrent and low detection limit; however, it exhibits limited anti-interference capability in real sample detection. Conversely, the photocathode analysis method demonstrates excellent anti-interference detection capabilities, effectively mitigating the inherent disadvantages associated with the photoanode. Consequently, we have developed a self-powered PEC portable sensor that integrates both a photocathode and a photoanode, enabling accurate, sensitive, and convenient detection of polystyrene microplastics (PS MPs). Under optimal conditions, the sensor has a detection limit of 0.09 μg/mL, with a linear range from 0.5 to 1000 μg/mL. The method has good anti-interference ability to heavy metal ions and organics. In the presence of interfering substances, the accuracy can be maintained at over 97%. In addition, the sensor has demonstrated excellent performance in complex aquatic environments, providing an innovative design strategy for constructing PEC sensors aimed at detecting PS MPs.
The piezoelectric effect is employed to enhance the photocatalytic process by enabling the efficient utilization of photogenerated electrons and holes. In this study, a defect-engineered Na-Sm bimetal-regulated layered ferroelectric material, SrBi2Nb2O9, is synthesized using a molten salt process, and exhibits excellent piezo-photocatalytic performance in the synergistic removal of uranium [U(VI)] and tetracycline (TC) from wastewater. The incorporation of the Sm dopant creates an intermediate band structure, while the Na doping introduces empty orbitals into the conduction band, thereby enhancing the electrical conductivity, improving the electron mobility, and supplying sufficient electrons to promote catalytic reactions. Moreover, the doping induces an additional internal electric field, which combines the embedded field along the b-axis with the polarization along the a-axis. This combined effect enhances the anisotropic migration of photogenerated electrons and holes, facilitating their spatial separation. The doped SrBi2Nb2O9 can simultaneously remove 98% of U(VI) and degrade 99% of TC. Furthermore, a synergistic enhancement effect is observed between the U(VI) reduction and TC oxidation reactions, with the rate constant of U(VI) being 1.2 times higher than that of the individual system. This work presents an innovative strategy for designing layered ferroelectric catalysts able to simultaneously remove pollutants and optimize piezo-photocatalytic redox reactions.
Krabbe disease,also known as globoid cell leukodystrophy,is a rare lysosomal storage disorder.It is primarily caused by mutations in the GALC gene on chromosome 14q31,leading to GALC enzyme deficiency in lysosomes.
Aqueous zinc-ion batteries (AZIBs) offer advantages such as high specific capacity, affordability, and minimal assembly environment requirements, positioning them as a promising candidate for next-generation energy storage system. However, the performance of the AZIBs is greatly influenced by dendrite formation and side reactions occurring on the surface of the zinc metal anode. In this study, a high-stability Zn@Ag anode material was prepared using electron beam evaporation. The presence of Ag coating lowers the nucleation overpotential for Zn and encourages its preferential growth on the (002) crystal face, thereby inhibiting dendrite formation. The Zn@Ag symmetric battery exhibits outstanding performance in Zn deposition and stripping, achieving 2070 h at a current density of 1 mA cm(-2)/1 mAh cm(-2). Additionally, it shows stable cycling for 1580 h even at a higher current of 5 mA cm(-2). Furthermore, the enhanced corrosion resistance and inhibition of hydrogen evolution reaction (HER) in Zn@Ag compared to bare Zn contribute to its superior stability. The full battery Zn@Ag parallel to MnO2 exhibits higher capacity and superior long-term cycling performance than Zn parallel to MnO2. This approach offers a potential solution for optimizing design of Zn anodes in AZIBs.
Layered oxide LiNi1/3Co1/3Mn1/3O2 is a promising cathode material for high-performance rechargeable lithium batteries. However, during cycling, the LiNi1/3Co1/3Mn1/3O2 cathode typically experiences evident lithium loss coupled with phase transition, leading to gradual capacity decay and battery malfunction. Recent studies focus on recovering the degraded cathode from spent batteries and re-lithiating the cathode through complicated procedures. In this work, we found that the re-lithiation of LiNi1/3Co1/3Mn1/3O2 cathode can be achieved in situ with facile electrochemical regulations, obviating the need to disassemble the spent batteries. By employing a potentiostatic lithiation process, we successfully restored the capacity of the degraded LiNi1/3Co1/3Mn1/3O2 from 66.0 mAhg(-1) to 96.2 mAhg(-1) (>96.5 % of its initial capacity). We further confirmed that the nondestructive electrochemical restoration process re-lithiates the degraded LiNi1/3Co1/3Mn1/3O2 cathode and converts the diffusion-impeding microphases to the pristine layered phase, enhancing the diffusion kinetics of lithium ions. Implementing this nondestructive electrochemical restoration improves the service life and energy output of LiNi1/3Co1/3Mn1/3O2 cathode by 2.18 and 2.00 times, respectively. This method is straightforward to implement and represents a significant advancement towards the sustainable development of cathode materials.
The successful implementation of stem cell therapy requires the development of imaging techniques to track transplanted stem cells in vivo and monitor their fate over time. Most in vivo imaging methods focus on providing information about the distribution and migration of transplanted stem cells, while monitoring their viability-crucial for optimizing therapy-remains undeveloped. Although a few in vivo imaging techniques have been developed for assessing the viability of transplanted stem cells, their applicability is restricted by limited penetration depth. To address this, magnetic resonance imaging (MRI) that is collaboratively utilized with tailored contrast agents has been explored to track the viability of transplanted stem cells without this limitation. However, currently available MRI contrast agents struggle with low accuracy in monitoring viability due to poor controllability or minimal signal change in response to cell death. Here, we present an extremely small iron oxide nanoparticles (ESIONPs)-based T1-T2 switchable MRI contrast agent (ESIONPs-GSH) designed to accurately detect cell apoptosis in response to elevated reactive oxygen species (ROS).Specifically, ESIONPs-GSH was obtained by modifying the surface of ESIONPs with ROS-sensitive glutathione (GSH) and amphipathic 3-((3-aminopropyl) dimethylammonio) propane-1-sulfonate (ADPS) molecules. The results demonstrate that ESIONPs-GSH is biocompatible, with negligible effects on the proliferation and differentiation of bone mesenchymal stem cells (BMSCs) post-labeling. Additionally, BMSCs labeled with ESIONPs-GSH exhibit T1 contrast; upon cell death, increasing cellular ROS oxidize GSH and induce cross-linking of ESIONPs-GSH, resulting in a switch to T2 contrast. Benefiting from the significantly contrasting signal following the T1-T2 contrast switch, ESIONPs-GSH allows for accurate assessment of the survival of BMSCs transplanted into the axillary regions of mice through MRI monitoring. ESIONPs-GSH enabled MRI can effectively track transplanted stem cell viability in vivo without penetration depth limitations, making it a promising tool for guiding stem cell-based therapies.
Nowadays,the increas-ing electromagnetic waves generated by wearable devices are becoming an emerging issue for human health,so stretchable electromagnetic interfer-ence(EMI)shielding materials are highly demanded.Elephant trunks are capable of grabbing fragile vegetation and tearing trees thanks not only to their muscles but also to their folded skins.Inspired by the wrinkled skin of the elephant trunks,herein,we propose a winkled conductive film based on single-walled carbon nanotubes(SWC-NTs)for multifunctional EMI applications.The conductive film has a sandwich structure,which was prepared by coating SWCNTs on both sides of the stretched elastic latex cylindrical substrate.The shrinking-induced winkled conductive network could withstand up to 200%tensile strain.Typically,when the stretching direction is parallel to the polarization direction of the electric field,the total EMI shielding effectiveness could surprisingly increase from 38.4 to 52.7 dB at 200%tensile strain.It is mainly contributed by the increased connection of the SWCNTs.In addition,the film also has good Joule heating performance at several voltages,capable of releasing pains in injured joints.This unique property makes it possible for strain-adjustable multifunctional EMI shielding and wearable thermotherapy applications.