In this work,we proposed a strategy for the hydrolysis of native corn starch after the treatment of corn starch in an ionic liquid aqueous solution,and it is an awfully“green”and simple means to obtain starch with l...In this work,we proposed a strategy for the hydrolysis of native corn starch after the treatment of corn starch in an ionic liquid aqueous solution,and it is an awfully“green”and simple means to obtain starch with low molecular weight and amorphous state.X-ray diffraction results revealed that the natural starch crystalline region was largely disrupted by ionic liquid owing to the broken intermolecular and intramolecular hydrogen bonds.After hydrolysis,the morphology of starch changed from particles of native corn starch into little pieces,and their molecular weight could be effectively regulated during the hydrolysis process,and also the hydrolyzed starch samples exhibited decreased thermal stability with the extension of hydrolysis time.This work would counsel as a powerful tool for the development of native starch in realistic applications.展开更多
THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between c...THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior.展开更多
Molecular hydrogen(H2)demonstrates selective antioxidant and anti-inflammatory properties with therapeutic potential across musculoskeletal conditions including osteoarthritis,rheumatoid arthritis,exercise-induced mus...Molecular hydrogen(H2)demonstrates selective antioxidant and anti-inflammatory properties with therapeutic potential across musculoskeletal conditions including osteoarthritis,rheumatoid arthritis,exercise-induced muscle damage,chronic pain syndromes,tendinopathies,and muscle atrophy.This review critically evaluates preclinical and clinical evidence for H2 therapy and identifies research gaps.A comprehensive search of PubMed,EMBASE,and Cochrane Library(up to April 2025)yielded 45 eligible studies:25 preclinical and 20 clinical trials.Preclinical models consistently showed reductions in reactive oxygen species,inflammatory cytokines,and improved cell viability.Clinical trials reported symptomatic relief in osteoarthritis,decreased Disease Activity Score 28 in rheumatoid arthritis,and accelerated clearance of muscle damage markers.Delivery methods varied-hydrogen-rich water,gas inhalation,and saline infusion-hindering direct comparison.Mechanistic biomarkers were inconsistently reported,limiting understanding of target engagement.Common limitations included small sample sizes,short durations,and protocol heterogeneity.Despite these constraints,findings suggest H2 may serve as a promising adjunctive therapy via antioxidant,anti-inflammatory,and cytoprotective mechanisms.Future research should prioritize standardized delivery protocols,robust mechanistic endpoints,and longer-term randomized trials to validate clinical efficacy and optimize therapeutic strategies.展开更多
The microbial degradation of aromatic organic pollutants is incomplete due to their metabolic characteristics,which can easily produce certain highly toxic intermediates.Therefore,this article designs a dual template ...The microbial degradation of aromatic organic pollutants is incomplete due to their metabolic characteristics,which can easily produce certain highly toxic intermediates.Therefore,this article designs a dual template molec-ularly imprinted sensor(DTMIP/Fe-Mn@C)for iron manganese metal nanomaterials,prepared Fe-Mn@C com-posite materials by a one pot method were coated on the surface of glassy carbon electrodes and covered with molecularly imprinted membranes through electropolymerization and elution methods,achieving real-time de-tection of specific intermediate products 2-methylbutyric acid(2-MBA)and 3-methylbutyric acid(3-MBA)de-graded by azo dyes.In order to determine the detection sensitivity and intensity range of the sensor,optimization experiments were conducted on various parameters that affect the detection performance,such as the type of func-tional monomer and its composition ratio with the template molecule,detection time window,environmental pH value,etc.Finally,o-Phenylenediamine was determined as the functional monomer,with a molar ratio of 1:1:6 to the template molecules 2-MBA and 3-MBA.Electrochemical testing was conducted in a neutral environment with an incubation time of 5 min and pH=7.The results indicate that the sensor has a relatively wide detection range,high sensitivity,obvious recognition features,and excellent stability for 2-MBA and 3-MBA.This new dual template molecularly imprinted sensor can quickly and accurately determine the safety of highly toxic interme-diates in the degradation process of aromatic organic pollutants,providing a theoretical basis and application potential for trace detection and real-time monitoring.展开更多
Colorectal cancer(CRC)is one of the most molecularly heterogeneous malignancies,with complexity that extends far beyond traditional histopathological classifications.The consensus molecular subtypes(CMS)established in...Colorectal cancer(CRC)is one of the most molecularly heterogeneous malignancies,with complexity that extends far beyond traditional histopathological classifications.The consensus molecular subtypes(CMS)established in 2015 brought a marked advancement in the taxonomy of CRC,consolidating six classification systems into four novel subtypes,which focus on vital gene expression patterns and clinical and prognostic outcomes.However,nearly a decade of clinical experience with CMS classification has revealed fundamental limitations that underscore the inadequacy of any single classification system for capturing the full spectrum of CRC biology.The inherent challenges of the current paradigm are multifaceted.In the CMS classification,mixed phenotypes that remain unclassifiable constitute 13%of CRC cases.This reflects the remarkable heterogeneity that CRC shows.The tumor budding regions reflect the molecular shift due to CMS 2 to CMS 4 switching,causing further heterogeneity.Moreover,the reliance on bulk RNA sequencing fails to capture the spatial organization of molecular signatures within tumors and the critical contributions of the tumor microenvironment.Recent technological advances in spatial transcriptomics,singlecell RNA sequencing,and multi-omic integration have revealed the limitations of transcriptome-only classifications.The emergence of CRC intrinsic subtypes that attempt to remove microenvironmental contributions,pathway-derived subtypes,and stem cell-based classifications demonstrates the field’s recognition that multiple complementary classification systems are necessary.These newer molecular subtypes are not discrete categories but biological continua,thus highlighting that the vast molecular landscape is a tapestry of interlinked features,not rigid subtypes.Multiple technical hurdles cause difficulty in implementing the clinical translation of these newer molecular subtypes,including gene signature complexity,platform-dependent variations,and the difficulty of getting and preserving fresh frozen tissue.CMS 4 shows a poor prognostic outcome among the CMS subtypes,while CMS 1 is associated with poor survival in metastatic cases.However,the predictive value for definitive therapy remains subdued.Looking forward,the integration of artificial intelligence,liquid biopsy approaches,and real-time molecular monitoring promises to enable dynamic,multi-dimensional tumor characterization.The temporal and spatial complexity can only be captured by complementary molecular taxonomies rather than a single,unified system of CRC classification.Such an approach recognizes that different clinical questions–prognosis,treatment selection,resistance prediction–may require different molecular lenses,each optimized for specific clinical applications.This editorial advocates for a revolutionary change from pursuing a single“best”classification system toward a diverse approach that welcomes the molecular mosaic of CRC.Only through such comprehensive molecular characterization can we hope to achieve the promise of precision oncology for the diverse spectrum of patients with CRC.展开更多
Male breast cancer(MBC)is rare,representing 0.5%–1%of all breast cancers,but its incidence is increasing due to improved diagnostics and awareness.MBC typically presents in older men,is human epidermal growth factor ...Male breast cancer(MBC)is rare,representing 0.5%–1%of all breast cancers,but its incidence is increasing due to improved diagnostics and awareness.MBC typically presents in older men,is human epidermal growth factor receptor 2(HER2)-negative and estrogen receptor(ER)-positive,and lacks routine screening,leading to delayed diagnosis and advanced disease.Major risk factors include hormonal imbalance,radiation exposure,obesity,alcohol use,and Breast Cancer Gene 1 and 2(BRCA1/2)mutations.Clinically,it may resemble gynecomastia but usually appears as a unilateral,painless mass or nipple discharge.Advances in imaging and liquid biopsy have enhanced early detection.Molecular mechanisms involve hormonal signaling,HER2/epidermal growth factor receptor(EGFR)pathways,tumor suppressor gene alterations,and epigenetic changes.While standard treatments mirror those for female breast cancer,emerging options such as cyclin-dependent kinase 4 and 6(CDK4/6),and poly(ADP-ribose)polymerase(PARP)inhibitors,immunotherapy,and precision medicine are reshaping management.Incorporating artificial intelligence,molecular profiling,and male-specific clinical trials is essential to improve outcomes and bridge current diagnostic and therapeutic gaps.展开更多
Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orien...Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.展开更多
GNAO1-associated disorder is a rare disease and an example of developmental and epileptic encephalopathies.Caused by ca.150 different dominant missense mutations in the gene encoding the major neuronal G protein Gao,i...GNAO1-associated disorder is a rare disease and an example of developmental and epileptic encephalopathies.Caused by ca.150 different dominant missense mutations in the gene encoding the major neuronal G protein Gao,it spans a wide range of neurological clinical manifestations,that may include epileptic seizures,motor dysfunctions,developmental and intellectual delay,and other symptoms(Sáez González et al.,2023).展开更多
Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based me...Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based methods have shown promising results in molecular property prediction.However,traditional methods rely on expert knowledge and often fail to capture the complex structures and interactions within molecules.Similarly,graph-based methods typically overlook the chemical structure and function hidden in molecular motifs and struggle to effectively integrate global and local molecular information.To address these limitations,we propose a novel fingerprint-enhanced hierarchical graph neural network(FH-GNN)for molecular property prediction that simultaneously learns information from hierarchical molecular graphs and fingerprints.The FH-GNN captures diverse hierarchical chemical information by applying directed message-passing neural networks(D-MPNN)on a hierarchical molecular graph that integrates atomic-level,motif-level,and graph-level information along with their relationships.Addi-tionally,we used an adaptive attention mechanism to balance the importance of hierarchical graphs and fingerprint features,creating a comprehensive molecular embedding that integrated hierarchical mo-lecular structures with domain knowledge.Experiments on eight benchmark datasets from MoleculeNet showed that FH-GNN outperformed the baseline models in both classification and regression tasks for molecular property prediction,validating its capability to comprehensively capture molecular informa-tion.By integrating molecular structure and chemical knowledge,FH-GNN provides a powerful tool for the accurate prediction of molecular properties and aids in the discovery of potential drug candidates.展开更多
Advancements in molecular approaches have been utilized to breed crops with a wide range of economically valuable traits to develop superior cultivars.This review provides a concise overview of modern breakthroughs in...Advancements in molecular approaches have been utilized to breed crops with a wide range of economically valuable traits to develop superior cultivars.This review provides a concise overview of modern breakthroughs in molecular plant production.Genotyping and high-throughput phenotyping methods for predictive plant breeding are briefly discussed.In this study,we explore contemporary molecular breeding techniques for producing desirable crop varieties.These techniques include cisgenesis,clustered regularly interspaced short palindromic repeat(CRISPR/Cas9)gene editing,haploid induction,and de novo domestication.We examine the speed breeding approach-a strategy for cultivating plants under controlled conditions.We further highlight the significance of modern breeding technologies in efficiently utilizing agricultural resources for crop production in urban areas.The deciphering of crop genomes has led to the development of extensive DNA markers,quantitative trait loci(QTLs),and pangenomes associated with various desirable crop traits.This shift to the genotypic selection of crops considerably expedites the plant breeding process.Based on the plant population used,the connection between genotypic and phenotypic data provides several genetic elements,including genes,markers,and alleles that can be used in genomic breeding and gene editing.The integration of speed breeding with genomic-assisted breeding and cutting-edge genome editing tools has made it feasible to rapidly manipulate and generate multiple crop cycles and accelerate the plant breeding process.Breakthroughs in molecular techniques have led to substantial improvements in modern breeding methods.展开更多
The visual cortex is an essential part of the brain for processing visual information.It exhibits structural and functional plasticity,which is crucial for adapting to complex visual environments.The quintessential ma...The visual cortex is an essential part of the brain for processing visual information.It exhibits structural and functional plasticity,which is crucial for adapting to complex visual environments.The quintessential manifestation of visual cortical plasticity is ocular dominance plasticity during the critical period,which involves numerous cellular and molecular events.While previous studies have emphasized the role of visual cortical neurons and their associated functional molecules in visual plasticity,recent findings have revealed that structural factors such as the extracellular matrix and glia are also involved.Investigating how these molecules interact to form a complex network that facilitates plasticity in the visual cortex is crucial to our understanding of the development of the visual system and the advancement of therapeutic strategies for visual disorders like amblyopia.展开更多
Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”co...Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation.展开更多
Colorectal cancer(CRC)ranks among the top causes of cancer-related fatalities globally.Recent progress in genomics,proteomics,and bioinformatics has greatly improved our comprehension of the molecular underpinnings of...Colorectal cancer(CRC)ranks among the top causes of cancer-related fatalities globally.Recent progress in genomics,proteomics,and bioinformatics has greatly improved our comprehension of the molecular underpinnings of CRC,paving the way for targeted therapies and immunotherapies.Nonetheless,obstacles such as tumor heterogeneity and drug resistance persist,hindering advancements in treatment efficacy.In this context,the integration of artificial intelligence(AI)and organoid technology presents promising new avenues.AI can analyze genetic and clinical data to forecast disease risk,prognosis,and treatment responses,thereby expediting drug development and tailoring treatment plans.Organoids replicate the genetic traits and biological behaviors of tumors,acting as platforms for drug testing and the formulation of personalized treatment approaches.Despite notable strides in CRC research and treatment-from genetic insights to therapeutic innovations-numerous challenges endure,including the intricate tumor microen-vironment,tumor heterogeneity,adverse effects of immunotherapies,issues related to AI data quality and privacy,and the need for standardization in organoid culture.Future initiatives should concentrate on clarifying the pathogenesis of CRC,refining AI algorithms and organoid models,and creating more effective therapeutic strategies to alleviate the global impact of CRC.展开更多
Guided by molecular networking,nine novel curvularin derivatives(1-9)and 16 known analogs(10-25)were isolated from the hydrothermal vent sediment fungus Penicillium sp.HL-50.Notably,compounds 5-7 represented a hybrid ...Guided by molecular networking,nine novel curvularin derivatives(1-9)and 16 known analogs(10-25)were isolated from the hydrothermal vent sediment fungus Penicillium sp.HL-50.Notably,compounds 5-7 represented a hybrid of curvularin and purine.The structures and absolute configurations of compounds 1-9 were elucidated via nuclear magnetic resonance(NMR)spectroscopy,X-ray diffraction,electronic circular dichroism(ECD)calculations,^(13)C NMR calculation,modified Mosher's method,and chemical derivatization.Investigation of anti-inflammatory activities revealed that compounds 7-9,11,12,14,15,and 18 exhibited significant suppressive effects against lipopolysaccharide(LPS)-induced nitric oxide(NO)production in murine macrophage RAW264.7 cells,with IC_(50)values ranging from 0.44 to 4.40μmol·L^(-1).Furthermore,these bioactive compounds were found to suppress the expression of inflammation-related proteins,including inducible NO synthase(i NOS),cyclooxygenase-2(COX-2),NLR family pyrin domain-containing protein 3(NLRP3),and nuclear factor kappa-B(NF-κB).Additional studies demonstrated that the novel compound 7 possessed potent antiinflammatory activity by inhibiting the transcription of inflammation-related genes,downregulating the expression of inflammation-related proteins,and inhibiting the release of inflammatory cytokines,indicating its potential application in the treatment of inflammatory diseases.展开更多
Pancreatic cancer, particularly pancreatic ductal adenocarcinoma(PDAC), is one of the most lethal malignancies,which is characterized by a complex tumor microenvironment(TME) that fosters immune evasion and treatment ...Pancreatic cancer, particularly pancreatic ductal adenocarcinoma(PDAC), is one of the most lethal malignancies,which is characterized by a complex tumor microenvironment(TME) that fosters immune evasion and treatment resistance. Recent genomic advancements have unveiled diverse molecular subtypes of PDAC, providing insights into targeted therapies and precision medicine. This review synthesizes the current understanding of PDAC's molecular characterization and immunosuppressive TME, as well as emerging therapeutic strategies, including innovative approaches targeting key molecular pathways such as kirsten rat sarcoma viral oncogene homolog(KRAS), epidermal growth factor receptor(EGFR), and immune checkpoints. Despite advances, challenges remain in overcoming treatment resistance and inherent heterogeneity of pancreatic cancer subtypes. We highlight the need for multidisciplinary collaboration to enhance early diagnosis and develop individualized therapeutic protocols, paving the way for improving the outcomes of this aggressive cancer. This integrated perspective underscores the urgency of transforming the innovative research into pancreatic cancer management.展开更多
Carbon capture is an important strategy and is implemented to achieve the goals of CO_(2)reduction and carbon neutrality.As a high energy-efficient technology,membrane-based separation plays a crucial role in CO_(2)ca...Carbon capture is an important strategy and is implemented to achieve the goals of CO_(2)reduction and carbon neutrality.As a high energy-efficient technology,membrane-based separation plays a crucial role in CO_(2)capture.It is urgently needed for membrane-based CO_(2)capture to develop the high-performance membrane materials with high permeability,selectivity,and stability.Herein,ultrapermeable carbon molecular sieve(CMS)membranes are fabricated by py roly zing a finely-engineered benzoxazole-containing copolyimide precursor for efficient CO_(2)capture.The microstructure of CMS membrane has been optimized by initially engineering the precursor-chemistry and subsequently tuning the pyrolysis process.Deep insights into the structure-property relationship of CMSs are provided in detail by a combination of experimental characterization and molecular simulations.We demonstrate that the intrinsically high free volume environment of the precursor,coupled with the steric hindrance of thermostable contorted fragments,promotes the formation of loosely packed and ultramicroporous carbon structures within the resultant CMS membrane,thereby enabling efficient CO_(2)discrimination via size sieving and affinity.The membrane achieves an ultrahigh CO_(2)permeability,good selectivity,and excellent stability.After one month of long-term operation,the CO_(2)permeability in the mixed gas is maintained at 11,800 Barrer,with a CO_(2)/N_(2)selectivity exceeding 60.This study provides insights into the relationship between precursor-chemistry and CMS performance,and our ultrapermeable CMS membrane,which is scalable using thin film manufacturing,holds great potential for industrial CO_(2)capture.展开更多
As a widely used fertilizer,urea significantly promotes the leaching of dissolved organic nitrogen(DON)in soils and aggravates nitrogen contamination in groundwater.Clayminerals are considered the most important facto...As a widely used fertilizer,urea significantly promotes the leaching of dissolved organic nitrogen(DON)in soils and aggravates nitrogen contamination in groundwater.Clayminerals are considered the most important factor in retaining DON.However,the effect of urea on the retention of DON with different molecular weights by clay minerals is unknown.In this study,the retention of both low-molecular weight DON(LMWD)and high-molecular weight DON(HMWD)by clay minerals in the presence of urea was investigated.For this purpose,batch adsorption and soil column leaching experiments,characterization analysis(Fourier transform infrared spectroscopy X-ray diffraction,and X-ray photoelectron spectroscopy),and molecular dynamics simulations were carried out.Urea had a positive effect on the adsorption of LMWD,whereas a competitive effect existed for the adsorption of HMWD.The dominant interactions among DON,urea,and clay minerals included H-bonding,ligand exchange,and cation exchange.The urea was preferentially adsorbed on clay minerals and formed a complex,which provided more adsorption sites to LMWD and only a few to HMWD.The presence of urea increased the retention of LMWD and decreased the retention of HMWD in clay minerals.The retention capacity of LMWD increased by 6.9%–12.8%,while that of HMWD decreased by 6.7%–53.1%.These findings suggest that LMWD tended to be trapped in soils,while HMWD was prone to be leached into groundwater,which can be used to evaluate the leaching of DON from soil to groundwater.展开更多
The rapid advancement of radar and 5 G communication technologies has created an urgent need for materials that possess both low dielectric constants and superior mechanical strength to ensure efficient signal transmi...The rapid advancement of radar and 5 G communication technologies has created an urgent need for materials that possess both low dielectric constants and superior mechanical strength to ensure efficient signal transmission and minimal loss.Herein,a synergistic effect of multiple regulation strategies from the atomic scales to the molecular scales was proposed to develop Covalent Organic Frameworks(COFs)modified cyanate ester resins(COF-mCE).The strategy has proven highly effective in enhancing both dielectric and mechanical properties.With only 3 wt%COFs,the dielectric constant of COF-mCE is reduced from 3.32 to 2.84 at 1 MHz.Meanwhile,the mechanical performance of COF-mCE composites exhibits substantial improvements,with flexural strength increasing by 42.6% and tensile strength by 52.1% compared to pure mCE.The investigation explores that hydrogen bonding and π-π stacking interactions restrain the polarization feature and the mechanical property improvements of the COF-mCE derived from the entanglement effect of COF-polymer chains.Furthermore,the 3D-printed COF-mCE honeycomb structure demonstrates excellent electromagnetic wave transmittance and low reflectance,achieving a transmittance of 94.1% at 10 GHz with a 60°incidence angle.This multi-scale design strategy offers new insights into the development of low-k dielectric material for next-generation electronic science applications.展开更多
This study identified castor oil and phosphate ester as effective retarders through setting time,tensile,and flexural tests,and determined their optimal dosages.The mechanism by which phosphate ester affects the setti...This study identified castor oil and phosphate ester as effective retarders through setting time,tensile,and flexural tests,and determined their optimal dosages.The mechanism by which phosphate ester affects the setting time of polyurethane was further investigated using molecular dynamics simulations.Fourier transform infrared spectroscopy was also employed to systematically study the physical and chemical interactions between phosphate esters and polyurethane materials.The results demonstrate that a 1%concentration of phosphate ester provides the most effective retarding effect with minimal impact on the strength of polyurethane.When phosphate ester is added to the B component of the two-component polyurethane system,its interaction energy with component A decreases,as do the diffusion coefficient and aggregation degree of component B on the surface of component A.This reduction in interaction slows the setting time.Additionally,the addition of phosphate ester to polyurethane leads to the disappearance or weakening of functional groups,indicating competitive interactions within the phosphate ester components that inhibit the reaction rate.展开更多
文摘In this work,we proposed a strategy for the hydrolysis of native corn starch after the treatment of corn starch in an ionic liquid aqueous solution,and it is an awfully“green”and simple means to obtain starch with low molecular weight and amorphous state.X-ray diffraction results revealed that the natural starch crystalline region was largely disrupted by ionic liquid owing to the broken intermolecular and intramolecular hydrogen bonds.After hydrolysis,the morphology of starch changed from particles of native corn starch into little pieces,and their molecular weight could be effectively regulated during the hydrolysis process,and also the hydrolyzed starch samples exhibited decreased thermal stability with the extension of hydrolysis time.This work would counsel as a powerful tool for the development of native starch in realistic applications.
基金The National Natural Science Foundation of China(Grant No.12462006)Beijing Institute of Structure and Environment Engineering Joint Innovation Fund(No.BQJJ202414).
文摘THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior.
文摘Molecular hydrogen(H2)demonstrates selective antioxidant and anti-inflammatory properties with therapeutic potential across musculoskeletal conditions including osteoarthritis,rheumatoid arthritis,exercise-induced muscle damage,chronic pain syndromes,tendinopathies,and muscle atrophy.This review critically evaluates preclinical and clinical evidence for H2 therapy and identifies research gaps.A comprehensive search of PubMed,EMBASE,and Cochrane Library(up to April 2025)yielded 45 eligible studies:25 preclinical and 20 clinical trials.Preclinical models consistently showed reductions in reactive oxygen species,inflammatory cytokines,and improved cell viability.Clinical trials reported symptomatic relief in osteoarthritis,decreased Disease Activity Score 28 in rheumatoid arthritis,and accelerated clearance of muscle damage markers.Delivery methods varied-hydrogen-rich water,gas inhalation,and saline infusion-hindering direct comparison.Mechanistic biomarkers were inconsistently reported,limiting understanding of target engagement.Common limitations included small sample sizes,short durations,and protocol heterogeneity.Despite these constraints,findings suggest H2 may serve as a promising adjunctive therapy via antioxidant,anti-inflammatory,and cytoprotective mechanisms.Future research should prioritize standardized delivery protocols,robust mechanistic endpoints,and longer-term randomized trials to validate clinical efficacy and optimize therapeutic strategies.
基金supported by the Bingtuan Industrial Technology Research Institute,Bingtuan New materials Research Institute innovation platform project,Research initiation project of Shihezi University(No.RCZK202330)the Science and Technology Program-Regional Innovation Guidance Program(No.2023ZD080)Tianchi Talent Project(No.CZ002735).
文摘The microbial degradation of aromatic organic pollutants is incomplete due to their metabolic characteristics,which can easily produce certain highly toxic intermediates.Therefore,this article designs a dual template molec-ularly imprinted sensor(DTMIP/Fe-Mn@C)for iron manganese metal nanomaterials,prepared Fe-Mn@C com-posite materials by a one pot method were coated on the surface of glassy carbon electrodes and covered with molecularly imprinted membranes through electropolymerization and elution methods,achieving real-time de-tection of specific intermediate products 2-methylbutyric acid(2-MBA)and 3-methylbutyric acid(3-MBA)de-graded by azo dyes.In order to determine the detection sensitivity and intensity range of the sensor,optimization experiments were conducted on various parameters that affect the detection performance,such as the type of func-tional monomer and its composition ratio with the template molecule,detection time window,environmental pH value,etc.Finally,o-Phenylenediamine was determined as the functional monomer,with a molar ratio of 1:1:6 to the template molecules 2-MBA and 3-MBA.Electrochemical testing was conducted in a neutral environment with an incubation time of 5 min and pH=7.The results indicate that the sensor has a relatively wide detection range,high sensitivity,obvious recognition features,and excellent stability for 2-MBA and 3-MBA.This new dual template molecularly imprinted sensor can quickly and accurately determine the safety of highly toxic interme-diates in the degradation process of aromatic organic pollutants,providing a theoretical basis and application potential for trace detection and real-time monitoring.
文摘Colorectal cancer(CRC)is one of the most molecularly heterogeneous malignancies,with complexity that extends far beyond traditional histopathological classifications.The consensus molecular subtypes(CMS)established in 2015 brought a marked advancement in the taxonomy of CRC,consolidating six classification systems into four novel subtypes,which focus on vital gene expression patterns and clinical and prognostic outcomes.However,nearly a decade of clinical experience with CMS classification has revealed fundamental limitations that underscore the inadequacy of any single classification system for capturing the full spectrum of CRC biology.The inherent challenges of the current paradigm are multifaceted.In the CMS classification,mixed phenotypes that remain unclassifiable constitute 13%of CRC cases.This reflects the remarkable heterogeneity that CRC shows.The tumor budding regions reflect the molecular shift due to CMS 2 to CMS 4 switching,causing further heterogeneity.Moreover,the reliance on bulk RNA sequencing fails to capture the spatial organization of molecular signatures within tumors and the critical contributions of the tumor microenvironment.Recent technological advances in spatial transcriptomics,singlecell RNA sequencing,and multi-omic integration have revealed the limitations of transcriptome-only classifications.The emergence of CRC intrinsic subtypes that attempt to remove microenvironmental contributions,pathway-derived subtypes,and stem cell-based classifications demonstrates the field’s recognition that multiple complementary classification systems are necessary.These newer molecular subtypes are not discrete categories but biological continua,thus highlighting that the vast molecular landscape is a tapestry of interlinked features,not rigid subtypes.Multiple technical hurdles cause difficulty in implementing the clinical translation of these newer molecular subtypes,including gene signature complexity,platform-dependent variations,and the difficulty of getting and preserving fresh frozen tissue.CMS 4 shows a poor prognostic outcome among the CMS subtypes,while CMS 1 is associated with poor survival in metastatic cases.However,the predictive value for definitive therapy remains subdued.Looking forward,the integration of artificial intelligence,liquid biopsy approaches,and real-time molecular monitoring promises to enable dynamic,multi-dimensional tumor characterization.The temporal and spatial complexity can only be captured by complementary molecular taxonomies rather than a single,unified system of CRC classification.Such an approach recognizes that different clinical questions–prognosis,treatment selection,resistance prediction–may require different molecular lenses,each optimized for specific clinical applications.This editorial advocates for a revolutionary change from pursuing a single“best”classification system toward a diverse approach that welcomes the molecular mosaic of CRC.Only through such comprehensive molecular characterization can we hope to achieve the promise of precision oncology for the diverse spectrum of patients with CRC.
文摘Male breast cancer(MBC)is rare,representing 0.5%–1%of all breast cancers,but its incidence is increasing due to improved diagnostics and awareness.MBC typically presents in older men,is human epidermal growth factor receptor 2(HER2)-negative and estrogen receptor(ER)-positive,and lacks routine screening,leading to delayed diagnosis and advanced disease.Major risk factors include hormonal imbalance,radiation exposure,obesity,alcohol use,and Breast Cancer Gene 1 and 2(BRCA1/2)mutations.Clinically,it may resemble gynecomastia but usually appears as a unilateral,painless mass or nipple discharge.Advances in imaging and liquid biopsy have enhanced early detection.Molecular mechanisms involve hormonal signaling,HER2/epidermal growth factor receptor(EGFR)pathways,tumor suppressor gene alterations,and epigenetic changes.While standard treatments mirror those for female breast cancer,emerging options such as cyclin-dependent kinase 4 and 6(CDK4/6),and poly(ADP-ribose)polymerase(PARP)inhibitors,immunotherapy,and precision medicine are reshaping management.Incorporating artificial intelligence,molecular profiling,and male-specific clinical trials is essential to improve outcomes and bridge current diagnostic and therapeutic gaps.
基金supported by the National Natural Science Foundation of China (Grant No.11574244 for G.Y.G.)the XJTU Research Fund for AI Science (Grant No.2025YXYC011 for G.Y.G.)the Hong Kong Global STEM Professorship Scheme (for X.C.Z.)。
文摘Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.
文摘GNAO1-associated disorder is a rare disease and an example of developmental and epileptic encephalopathies.Caused by ca.150 different dominant missense mutations in the gene encoding the major neuronal G protein Gao,it spans a wide range of neurological clinical manifestations,that may include epileptic seizures,motor dysfunctions,developmental and intellectual delay,and other symptoms(Sáez González et al.,2023).
基金supported by Macao Science and Technology Development Fund,Macao SAR,China(Grant No.:0043/2023/AFJ)the National Natural Science Foundation of China(Grant No.:22173038)Macao Polytechnic University,Macao SAR,China(Grant No.:RP/FCA-01/2022).
文摘Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based methods have shown promising results in molecular property prediction.However,traditional methods rely on expert knowledge and often fail to capture the complex structures and interactions within molecules.Similarly,graph-based methods typically overlook the chemical structure and function hidden in molecular motifs and struggle to effectively integrate global and local molecular information.To address these limitations,we propose a novel fingerprint-enhanced hierarchical graph neural network(FH-GNN)for molecular property prediction that simultaneously learns information from hierarchical molecular graphs and fingerprints.The FH-GNN captures diverse hierarchical chemical information by applying directed message-passing neural networks(D-MPNN)on a hierarchical molecular graph that integrates atomic-level,motif-level,and graph-level information along with their relationships.Addi-tionally,we used an adaptive attention mechanism to balance the importance of hierarchical graphs and fingerprint features,creating a comprehensive molecular embedding that integrated hierarchical mo-lecular structures with domain knowledge.Experiments on eight benchmark datasets from MoleculeNet showed that FH-GNN outperformed the baseline models in both classification and regression tasks for molecular property prediction,validating its capability to comprehensively capture molecular informa-tion.By integrating molecular structure and chemical knowledge,FH-GNN provides a powerful tool for the accurate prediction of molecular properties and aids in the discovery of potential drug candidates.
基金funded by the United Arab Emirates UniversityResearch Officegrant number 12F041 to KM。
文摘Advancements in molecular approaches have been utilized to breed crops with a wide range of economically valuable traits to develop superior cultivars.This review provides a concise overview of modern breakthroughs in molecular plant production.Genotyping and high-throughput phenotyping methods for predictive plant breeding are briefly discussed.In this study,we explore contemporary molecular breeding techniques for producing desirable crop varieties.These techniques include cisgenesis,clustered regularly interspaced short palindromic repeat(CRISPR/Cas9)gene editing,haploid induction,and de novo domestication.We examine the speed breeding approach-a strategy for cultivating plants under controlled conditions.We further highlight the significance of modern breeding technologies in efficiently utilizing agricultural resources for crop production in urban areas.The deciphering of crop genomes has led to the development of extensive DNA markers,quantitative trait loci(QTLs),and pangenomes associated with various desirable crop traits.This shift to the genotypic selection of crops considerably expedites the plant breeding process.Based on the plant population used,the connection between genotypic and phenotypic data provides several genetic elements,including genes,markers,and alleles that can be used in genomic breeding and gene editing.The integration of speed breeding with genomic-assisted breeding and cutting-edge genome editing tools has made it feasible to rapidly manipulate and generate multiple crop cycles and accelerate the plant breeding process.Breakthroughs in molecular techniques have led to substantial improvements in modern breeding methods.
基金supported by the National Natural Science Foundation of China(81770956,81371049,32471055 and 82171090)Project of Tianjin 131 Innovative Talent Team(201936)+4 种基金the Science and Technology Planning Project of Tianjin(21JCYBJC00780)the Science and Technology Fund for Health of Tianjin(TJWJ2023ZD008)Shanghai Municipal Science and Technology Major Project(2018SHZDZX01)ZJLab,Shanghai Center for Brain Science and Brain-Inspired Technology,the Lingang Laboratory(LG-QS-202203-12)Tianjin Key Medical Discipline(Specialty)Construction Project(TJYXZDXK‑016A).
文摘The visual cortex is an essential part of the brain for processing visual information.It exhibits structural and functional plasticity,which is crucial for adapting to complex visual environments.The quintessential manifestation of visual cortical plasticity is ocular dominance plasticity during the critical period,which involves numerous cellular and molecular events.While previous studies have emphasized the role of visual cortical neurons and their associated functional molecules in visual plasticity,recent findings have revealed that structural factors such as the extracellular matrix and glia are also involved.Investigating how these molecules interact to form a complex network that facilitates plasticity in the visual cortex is crucial to our understanding of the development of the visual system and the advancement of therapeutic strategies for visual disorders like amblyopia.
基金supported by the National Key Research and Development Program of China(No.2024YFC3506900)Science and Technology Program of Tianjin(No.24ZXZSSS00460)Special Project for Technological Innovation in New Productive Forces of Modern Chinese Medicines(No.24ZXZKSY00010)。
文摘Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation.
基金Supported by the National Human Genetic Resources Sharing Service Platform,No.PT-2024-0303Qingdao Medical and Health Research Guidance Project,No.2023-WJZD202.
文摘Colorectal cancer(CRC)ranks among the top causes of cancer-related fatalities globally.Recent progress in genomics,proteomics,and bioinformatics has greatly improved our comprehension of the molecular underpinnings of CRC,paving the way for targeted therapies and immunotherapies.Nonetheless,obstacles such as tumor heterogeneity and drug resistance persist,hindering advancements in treatment efficacy.In this context,the integration of artificial intelligence(AI)and organoid technology presents promising new avenues.AI can analyze genetic and clinical data to forecast disease risk,prognosis,and treatment responses,thereby expediting drug development and tailoring treatment plans.Organoids replicate the genetic traits and biological behaviors of tumors,acting as platforms for drug testing and the formulation of personalized treatment approaches.Despite notable strides in CRC research and treatment-from genetic insights to therapeutic innovations-numerous challenges endure,including the intricate tumor microen-vironment,tumor heterogeneity,adverse effects of immunotherapies,issues related to AI data quality and privacy,and the need for standardization in organoid culture.Future initiatives should concentrate on clarifying the pathogenesis of CRC,refining AI algorithms and organoid models,and creating more effective therapeutic strategies to alleviate the global impact of CRC.
基金funded by the National Key Research and Development Program of China(No.2022YFC2804101)the Guangdong Provincial Key R&D Program(No.2023B1111050011)+2 种基金the Guangdong Basic and Applied Basic Research Foundation(No.2023A1515010432)the Guangzhou Basic and Applied Basic Research Foundation(No.202201010305)the High-Level Talents Special Program of Zhejiang(No.2022R52036)。
文摘Guided by molecular networking,nine novel curvularin derivatives(1-9)and 16 known analogs(10-25)were isolated from the hydrothermal vent sediment fungus Penicillium sp.HL-50.Notably,compounds 5-7 represented a hybrid of curvularin and purine.The structures and absolute configurations of compounds 1-9 were elucidated via nuclear magnetic resonance(NMR)spectroscopy,X-ray diffraction,electronic circular dichroism(ECD)calculations,^(13)C NMR calculation,modified Mosher's method,and chemical derivatization.Investigation of anti-inflammatory activities revealed that compounds 7-9,11,12,14,15,and 18 exhibited significant suppressive effects against lipopolysaccharide(LPS)-induced nitric oxide(NO)production in murine macrophage RAW264.7 cells,with IC_(50)values ranging from 0.44 to 4.40μmol·L^(-1).Furthermore,these bioactive compounds were found to suppress the expression of inflammation-related proteins,including inducible NO synthase(i NOS),cyclooxygenase-2(COX-2),NLR family pyrin domain-containing protein 3(NLRP3),and nuclear factor kappa-B(NF-κB).Additional studies demonstrated that the novel compound 7 possessed potent antiinflammatory activity by inhibiting the transcription of inflammation-related genes,downregulating the expression of inflammation-related proteins,and inhibiting the release of inflammatory cytokines,indicating its potential application in the treatment of inflammatory diseases.
文摘Pancreatic cancer, particularly pancreatic ductal adenocarcinoma(PDAC), is one of the most lethal malignancies,which is characterized by a complex tumor microenvironment(TME) that fosters immune evasion and treatment resistance. Recent genomic advancements have unveiled diverse molecular subtypes of PDAC, providing insights into targeted therapies and precision medicine. This review synthesizes the current understanding of PDAC's molecular characterization and immunosuppressive TME, as well as emerging therapeutic strategies, including innovative approaches targeting key molecular pathways such as kirsten rat sarcoma viral oncogene homolog(KRAS), epidermal growth factor receptor(EGFR), and immune checkpoints. Despite advances, challenges remain in overcoming treatment resistance and inherent heterogeneity of pancreatic cancer subtypes. We highlight the need for multidisciplinary collaboration to enhance early diagnosis and develop individualized therapeutic protocols, paving the way for improving the outcomes of this aggressive cancer. This integrated perspective underscores the urgency of transforming the innovative research into pancreatic cancer management.
基金financial support from the National Key R&D Program of China(2021YFB3801200)the National Natural Science Foundation of China(22278051,22178044,22308043)CNPC Innovation Found(2022DQ02-0608)。
文摘Carbon capture is an important strategy and is implemented to achieve the goals of CO_(2)reduction and carbon neutrality.As a high energy-efficient technology,membrane-based separation plays a crucial role in CO_(2)capture.It is urgently needed for membrane-based CO_(2)capture to develop the high-performance membrane materials with high permeability,selectivity,and stability.Herein,ultrapermeable carbon molecular sieve(CMS)membranes are fabricated by py roly zing a finely-engineered benzoxazole-containing copolyimide precursor for efficient CO_(2)capture.The microstructure of CMS membrane has been optimized by initially engineering the precursor-chemistry and subsequently tuning the pyrolysis process.Deep insights into the structure-property relationship of CMSs are provided in detail by a combination of experimental characterization and molecular simulations.We demonstrate that the intrinsically high free volume environment of the precursor,coupled with the steric hindrance of thermostable contorted fragments,promotes the formation of loosely packed and ultramicroporous carbon structures within the resultant CMS membrane,thereby enabling efficient CO_(2)discrimination via size sieving and affinity.The membrane achieves an ultrahigh CO_(2)permeability,good selectivity,and excellent stability.After one month of long-term operation,the CO_(2)permeability in the mixed gas is maintained at 11,800 Barrer,with a CO_(2)/N_(2)selectivity exceeding 60.This study provides insights into the relationship between precursor-chemistry and CMS performance,and our ultrapermeable CMS membrane,which is scalable using thin film manufacturing,holds great potential for industrial CO_(2)capture.
基金supported by the National Natural Science Foundation of China(No.42107052)Beijing Natural Science Foundation(No.JQ21031).
文摘As a widely used fertilizer,urea significantly promotes the leaching of dissolved organic nitrogen(DON)in soils and aggravates nitrogen contamination in groundwater.Clayminerals are considered the most important factor in retaining DON.However,the effect of urea on the retention of DON with different molecular weights by clay minerals is unknown.In this study,the retention of both low-molecular weight DON(LMWD)and high-molecular weight DON(HMWD)by clay minerals in the presence of urea was investigated.For this purpose,batch adsorption and soil column leaching experiments,characterization analysis(Fourier transform infrared spectroscopy X-ray diffraction,and X-ray photoelectron spectroscopy),and molecular dynamics simulations were carried out.Urea had a positive effect on the adsorption of LMWD,whereas a competitive effect existed for the adsorption of HMWD.The dominant interactions among DON,urea,and clay minerals included H-bonding,ligand exchange,and cation exchange.The urea was preferentially adsorbed on clay minerals and formed a complex,which provided more adsorption sites to LMWD and only a few to HMWD.The presence of urea increased the retention of LMWD and decreased the retention of HMWD in clay minerals.The retention capacity of LMWD increased by 6.9%–12.8%,while that of HMWD decreased by 6.7%–53.1%.These findings suggest that LMWD tended to be trapped in soils,while HMWD was prone to be leached into groundwater,which can be used to evaluate the leaching of DON from soil to groundwater.
基金financially supported by the Sichuan Science and Technology Program(No.2024ZDZX0036)the National Ten Thousand Talent Plans for Young Top-notch Talents,and the National Natural Science Foundation of China(No.52021001).
文摘The rapid advancement of radar and 5 G communication technologies has created an urgent need for materials that possess both low dielectric constants and superior mechanical strength to ensure efficient signal transmission and minimal loss.Herein,a synergistic effect of multiple regulation strategies from the atomic scales to the molecular scales was proposed to develop Covalent Organic Frameworks(COFs)modified cyanate ester resins(COF-mCE).The strategy has proven highly effective in enhancing both dielectric and mechanical properties.With only 3 wt%COFs,the dielectric constant of COF-mCE is reduced from 3.32 to 2.84 at 1 MHz.Meanwhile,the mechanical performance of COF-mCE composites exhibits substantial improvements,with flexural strength increasing by 42.6% and tensile strength by 52.1% compared to pure mCE.The investigation explores that hydrogen bonding and π-π stacking interactions restrain the polarization feature and the mechanical property improvements of the COF-mCE derived from the entanglement effect of COF-polymer chains.Furthermore,the 3D-printed COF-mCE honeycomb structure demonstrates excellent electromagnetic wave transmittance and low reflectance,achieving a transmittance of 94.1% at 10 GHz with a 60°incidence angle.This multi-scale design strategy offers new insights into the development of low-k dielectric material for next-generation electronic science applications.
基金Funded by the National Natural Science Foundation of China(No.52370128)the Fundamental Research Funds for the Central Universities(No.2572022AW54)。
文摘This study identified castor oil and phosphate ester as effective retarders through setting time,tensile,and flexural tests,and determined their optimal dosages.The mechanism by which phosphate ester affects the setting time of polyurethane was further investigated using molecular dynamics simulations.Fourier transform infrared spectroscopy was also employed to systematically study the physical and chemical interactions between phosphate esters and polyurethane materials.The results demonstrate that a 1%concentration of phosphate ester provides the most effective retarding effect with minimal impact on the strength of polyurethane.When phosphate ester is added to the B component of the two-component polyurethane system,its interaction energy with component A decreases,as do the diffusion coefficient and aggregation degree of component B on the surface of component A.This reduction in interaction slows the setting time.Additionally,the addition of phosphate ester to polyurethane leads to the disappearance or weakening of functional groups,indicating competitive interactions within the phosphate ester components that inhibit the reaction rate.
