Microchimica ActaPub Date : 2026-10-20DOI: 10.1007/s00604-026-08463-z
Hao Shen, Nana Li, Mengdi Hao, Fan Yang, Shaoning Yu
{"title":"Interfacial engineering-tailored self-cascading nanozyme for sensitive and rapid detection of different amylases.","authors":"Hao Shen, Nana Li, Mengdi Hao, Fan Yang, Shaoning Yu","doi":"10.1007/s00604-026-08463-z","DOIUrl":"https://doi.org/10.1007/s00604-026-08463-z","url":null,"abstract":"<p><p>The precise quantification of amylases activities in complex environments is crucial in actual manufacturing. We synthesized a self-cascading nanozyme (Au@MOF-235) with glucose oxidase (GOx)-mimicking and peroxidase (POD)-mimicking ability. The stable electrostatic interaction guarantees the homogeneous immobilization of Au nanoparticles with a remarkable GOx-simulating property and thorough active site exposure of MOF-235. Moreover, the generated gluconic acid modulates the acidic level and boosts the POD-mimetic behavior of MOF-235. Consequently, we constructed a platform for sensitive determination of four amylases, demonstrating wide linear ranges (α-amylase: 4-400 U/L, β-amylase: 4-500 U/L, γ-amylase: 10-300 U/L, and pullulanase: 10-400 U/L) and low detection limits (α-amylase: 1.74 U/L, β-amylase: 1.85 U/L, γ-amylase: 5.76 U/L, and pullulanase: 3.68 U/L). This study offers a reliable approach for tracking amylases during food manufacturing with advanced self-cascading and self-activating nanozymes.</p>","PeriodicalId":705,"journal":{"name":"Microchimica Acta","volume":"193 11","pages":""},"PeriodicalIF":5.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A tumor microenvironment-activatable CuS@TF nanosystem with intrinsic multi-nanozyme properties for NIR-II photoacoustic imaging-guided synergistic PTT/CDT.","authors":"Zhixing Liang, Wenyi Wang, Yanfei Liu, Tao Yuan, Jinwei Sun, Xuliang Li, Yan-Cheng Liu, Xiaohuan Guo, Yuxuan Mo, Changchun Wen","doi":"10.1007/s00604-026-08462-0","DOIUrl":"https://doi.org/10.1007/s00604-026-08462-0","url":null,"abstract":"<p><p>The efficacy of single-modal chemodynamic therapy (CDT) is often restricted by the antioxidant scavenging of overexpressed glutathione (GSH) within the tumor microenvironment (TME) and insufficient catalytic kinetics. Meanwhile, traditional photothermal therapy (PTT) also faces bottlenecks of a single therapeutic mechanism and low photothermal conversion efficiency, leading to unsatisfactory overall anti-tumor outcomes. To address these challenges, we constructed a smart-responsive, core-shell multifunctional nanotheranostic platform for near-infrared-II (NIR-II) photoacoustic (PA) imaging-guided synergistic PTT/CDT. This platform utilizes copper sulfide nanoparticles (CuS) as the photothermal core, conformally coated in situ with an Fe-tannic acid (TF) metal-phenolic network (MPN) shell (CuS@TF). In the mildly acidic TME, the TF shell dissociates to expose Fe/Cu bimetallic catalytic centers possessing excellent intrinsic peroxidase-like and catalase-like activities. Driven by the synergistic reduction of endogenous GSH and tannic acid, CuS@TF not only effectively depletes antioxidant GSH but also efficiently modulates H<sub>2</sub>O<sub>2</sub> metabolism, triggering a cascade burst of highly toxic hydroxyl radicals (·OH). Furthermore, under 1064 nm laser irradiation, the highly efficient localized hyperthermia generated by the CuS core not only directly ablates the tumor but also thermodynamically boosts the catalytic kinetics of the nanozymes, achieving profound PTT-sensitized CDT. Systematic in vitro and in vivo evaluations demonstrate that, under the precise navigation of PA imaging, CuS@TF exhibits remarkable tumor eradication efficacy (with a tumor inhibition rate of ~ 96.2%) and excellent in vivo biosafety. This work provides a novel design paradigm for the development of precise synergistic tumor theranostics based on multifunctional nanozymes.</p>","PeriodicalId":705,"journal":{"name":"Microchimica Acta","volume":"193 11","pages":""},"PeriodicalIF":5.4,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Emina Dervišević, Hedim Osmanović, Muhamed Katica, Aida Bešić, Mirza Čelebičić, Teufik Goletić, Ilma Terzić, Emina Šabić, Aida Selmanagić, Hajrudin Spahović, Muamer Dervišević, Eva Montanari, Angelo Montana
{"title":"Tissue expression of aquaporin-5 and cytochrome c as potential forensic biomarkers of drowning: Evidence from an experimental rat model.","authors":"Emina Dervišević, Hedim Osmanović, Muhamed Katica, Aida Bešić, Mirza Čelebičić, Teufik Goletić, Ilma Terzić, Emina Šabić, Aida Selmanagić, Hajrudin Spahović, Muamer Dervišević, Eva Montanari, Angelo Montana","doi":"10.1007/s00114-026-02187-z","DOIUrl":"https://doi.org/10.1007/s00114-026-02187-z","url":null,"abstract":"<p><p>Determining whether a person died from drowning remains a major forensic challenge, particularly in cases involving advanced decomposition where only skeletal remains are available. Traditional methods, such as diatom analysis and macroscopic autopsy findings, often lack sufficient specificity and reliability. Although several molecular biomarkers have been investigated, none has yet demonstrated sufficient accuracy for routine forensic application. This prospective experimental study evaluated a novel dual-biomarker approach using Aquaporin 5 (AQP5), a water channel protein, and Cytochrome c (CYCS), an apoptosis-related protein, as potential indicators of drowning. Thirty-eight adult Wistar rats were randomly assigned to experimental drowning groups or non-drowning control groups (exposed to freshwater from Boračko and Jablaničko lakes. Lung, femoral bone, and dental tissues were collected postmortem, and AQP5 and CYCS concentrations were quantified using commercially available ELISA kits. Statistical analyses included the Shapiro-Wilk test and the Mann-Whitney U test, with statistical significance set at p < 0.05. AQP5 expression in dental tissue differed significantly between drowning and control groups in both freshwater environments (p = 0.0184 and p = 0.0235), whereas no significant differences were observed in lung or bone tissues. CYCS expression did not differ significantly between drowning and control groups in any tissue examined. These findings suggest that AQP5 expression in dental tissue may represent a promising supplementary biomarker for the forensic diagnosis of drowning, particularly in cases where only skeletal remains are available. Further validation in human tissues and larger experimental cohorts is warranted.</p>","PeriodicalId":794,"journal":{"name":"The Science of Nature","volume":"113 6","pages":""},"PeriodicalIF":1.7,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Colloid JournalPub Date : 2026-10-20DOI: 10.1134/S1061933X26600740
P. V. Lebedev-Stepanov
{"title":"Thermal Marangoni Convection in a Hemispherical Evaporating Liquid Droplet: Analytical Solution","authors":"P. V. Lebedev-Stepanov","doi":"10.1134/S1061933X26600740","DOIUrl":"10.1134/S1061933X26600740","url":null,"abstract":"<p>Quasi-stationary hydrodynamic flows have been studied in a small slowly evaporating hemispherical droplet with a pinned contact line on a flat horizontal substrate. Analytical solutions of the Stokes equations have been obtained and visualized for a capillary flow, which corresponds to the so-called “coffee-ring effect,” as well as for the Marangoni flow induced by a surface tension gradient associated with the cooling of the droplet surface due to the evaporation. The flow model corresponds to low Reynolds and Peclet numbers. The boundary conditions corresponding to the presence or absence of liquid slip at the substrate, which facilitate or hinder the Marangoni flow, have been analyzed. A hypothesis has been proposed that a critical Marangoni number corresponds to the system parameters that provide the separation of the flow from the substrate and the transition to the slip mode, in which the liquid velocity immediately at the substrate surface is nonzero. The obtained result can be used to study the flow structure and evaluate the flow rate in an evaporating microdroplet.</p>","PeriodicalId":521,"journal":{"name":"Colloid Journal","volume":"88 5","pages":"751 - 762"},"PeriodicalIF":1.6,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222633","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Colloid JournalPub Date : 2026-10-20DOI: 10.1134/S1061933X26600661
S. I. Grashchenkov
{"title":"On the Electrostatic Interaction of Spheroidal Dielectric Particles in an Electrolyte Solution","authors":"S. I. Grashchenkov","doi":"10.1134/S1061933X26600661","DOIUrl":"10.1134/S1061933X26600661","url":null,"abstract":"<p>The electrostatic interaction of two identical charged dielectric spheroidal particles in a symmetric electrolyte solution has been considered. The finite element method has been used to calculate the repulsive forces between the particles by the Poisson–Boltzmann equation under the condition that their surface charge distribution is independent of the interparticle distance and there is no external electrostatic field. The charge distribution on the surface of each particle is assumed to coincide with that on an isolated individual particle at a given surface potential. It has been found that, depending on the Debye length and the distance between the particle surfaces, an increase in the longitudinal size of the particles upon the passage from oblate to prolate spheroids can either enhance or weaken the interaction force.</p>","PeriodicalId":521,"journal":{"name":"Colloid Journal","volume":"88 5","pages":"729 - 736"},"PeriodicalIF":1.6,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The Influence of a Chamber Temperature on the Tensile Strength and Impact Toughness of PA6 in FDM 3D Printing","authors":"Le Duong, Pham Thi Hong Nga, Ngo Vu Nguyen","doi":"10.1134/S0965545X26600377","DOIUrl":"10.1134/S0965545X26600377","url":null,"abstract":"<div><p>In fused filament fabrication/fused deposition modeling (FFF/FDM), the mechanical properties of Polyamide 6 (PA6) are strongly governed by thermal conditions during printing, particularly the build chamber temperature, which controls cooling rate, crystallinity, and interlayer bonding. This study evaluated three build chamber temperatures (30, 40, and 50°C) while keeping all other parameters constant to determine their effects on tensile strength, impact toughness, and microstructure. Five specimens per condition were tested for tensile and impact properties, and fracture surfaces were characterized by scanning electron microscopy (SEM). The results demonstrate a clear temperature dependence: increasing the chamber temperature from 30 to 50°C enhanced tensile strength from 21.32 to 24.61 MPa and impact toughness from 13.58 to 14.35 kJ/m<sup>2</sup>, whereas 40°C yielded the lowest values of 16.09 MPa and 11.37 kJ/m<sup>2</sup>. SEM observations suggested that specimens printed at 50°C exhibited improved filament fusion and fewer interlaminar voids, resulting in a more homogeneous and ductile fracture surface, whereas specimens printed at 40°C showed less uniform interlayer bonding and a more heterogeneous defect distribution. These observations are consistent with enhanced interlayer bonding under more favorable thermal conditions. The findings indicate that approximately 50°C is the optimal build chamber temperature within the investigated range, providing improved mechanical reliability of FFF/FDM-printed PA6 parts and a basis for optimizing the processing window for load-bearing applications.</p><div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":738,"journal":{"name":"Polymer Science, Series A","volume":"68 5","pages":""},"PeriodicalIF":1.2,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The Formation of Majorana Zero Modes in Chiral Carbon Nanotubes under the Influence of Geometric Factors","authors":"I. Erazo Velasco, D. A. Kuzmin","doi":"10.1134/S1063785026600535","DOIUrl":"10.1134/S1063785026600535","url":null,"abstract":"<p>In this paper, we investigate the occurrence of Majorana zero modes in carbon nanotubes in contact with a conventional superconductor and placed in a longitudinal magnetic field. The influence of nanotube geometry, determined by chirality indices <span>((n,m))</span>, on the conditions for the formation of the topological superconducting phase is considered. It is shown that chirality changes the electronic structure of the nanotube, the spin–orbit interaction and the effective chemical potential, which determine the conditions of the topological phase transition. To describe the system, an effective model based on the Bogolyubov–de Gennes Hamiltonian is constructed, which allows one to obtain a criterion for the occurrence of Majorana null modes. Based on the developed model, a method for selecting the most favorable geometries of carbon nanotubes is proposed. Numerical results show that certain chiralities minimize the effective chemical potential and facilitate the transition of the system to the topological phase. The obtained results show that the geometry of the carbon nanotube is an effective parameter for controlling the topological properties of the system and can serve as a criterion for choosing the chiralities that are most promising for the experimental implementation of Majorana zero modes.</p>","PeriodicalId":784,"journal":{"name":"Technical Physics Letters","volume":"52 9","pages":"507 - 520"},"PeriodicalIF":0.8,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"On the Issue of Calculating Actuator Rod Stability When Regulating the Performance of a Piston Compressor","authors":"R. E. Kobyl’skiy","doi":"10.1134/S1063785026600596","DOIUrl":"10.1134/S1063785026600596","url":null,"abstract":"<p>An actuator rod (control device) is examined for the stability coefficient under a given load. It was found that commonly known calculation methods do not allow for the geometric features of the rod to be fully taken into account. To take into account the geometric features of the rod, a numerical experiment was carried out in the Compass APM FEM software environment. The numerical experiments conducted allow us to draw the following conclusions. When the ratio of the diameters of the inner hole to the diameter of the rod is 85%, as well as 71%, and when the ratio of the lengths of the inner hole to the length of the rod is from 100 to 31%, the presence of the inner hole greatly affects the safety factor, which varies in the range from 0.54 to 1.6. When the diameter ratio decreases, the length of the inner hole has virtually no effect on the safety factor, but in the range of length ratios from 100 to 50%, the safety factor is less than the recommended 1.8.</p>","PeriodicalId":784,"journal":{"name":"Technical Physics Letters","volume":"52 9","pages":"501 - 506"},"PeriodicalIF":0.8,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149222774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Vibrational dynamics of TODD-graphene nanosheets via molecular dynamics simulations and machine-learning surrogate models: implications for adaptive nanomechanical devices.","authors":"YaoBin Ke, Bowen Wei","doi":"10.1007/s00894-026-06942-x","DOIUrl":"https://doi.org/10.1007/s00894-026-06942-x","url":null,"abstract":"<p><strong>Context: </strong>TODD-Graphene (TODD-G), a porous two-dimensional carbon allotrope composed of interconnected 3-8-10-12 carbon rings, has recently emerged as a promising candidate for nanoelectromechanical and adaptive nanodevice applications due to its metallic conductivity, mechanical compliance, and topologically engineered phonon structure. In this work, the vibrational dynamics of TODD-G nanosheets were systematically investigated to establish structure-property relationships governing resonant behavior under varying geometric, thermal, mechanical, and defect conditions. Fundamental frequencies were found to span 2.93-13.28 THz and follow the classical <math><mrow><mi>f</mi> <mo>∝</mo> <msup><mrow><mi>L</mi></mrow> <mrow><mo>-</mo> <mn>2</mn></mrow> </msup> </mrow> </math> scaling relation. Increasing temperature from 1 to 1000 K reduced resonance frequencies by up to 22% because of thermal expansion and anharmonic phonon interactions, while tensile strain up to 10% enhanced frequencies by more than 50%, yielding gauge factors of 5.3-5.7 that exceed those of graphene. Vacancy defects significantly degraded quality factors and resonance stability, whereas multilayer stacking improved energy retention despite modest frequency reduction. Boundary conditions strongly altered modal spectra, with clamped-clamped configurations producing the highest frequencies and quality factors. Phonon density-of-states analysis revealed distinct acoustic, mixed, and optical vibrational regimes with a maximum phonon cutoff frequency of 56.5 THz. To accelerate device-level optimization, machine-learning surrogate models were developed for predicting resonance frequency and quality factor across the multidimensional design space. Gradient-boosting models achieved excellent predictive accuracy ( <math> <mrow> <msup><mrow><mi>R</mi></mrow> <mn>2</mn></msup> <mo>=</mo> <mn>0.98</mn></mrow> </math> for frequency and <math> <mrow> <msup><mrow><mi>R</mi></mrow> <mn>2</mn></msup> <mo>=</mo> <mn>0.972</mn></mrow> </math> for quality factor), demonstrating that thermal activation and vacancy concentration dominate vibrational dissipation mechanisms. The combined molecular dynamics and machine-learning framework establishes TODD-G as a promising platform for tunable nanoresonators, strain sensors, RF filters, vibration energy harvesters, and cryogenic nanomechanical systems.</p><p><strong>Methods: </strong>Atomic-scale simulations were performed using classical molecular dynamics within the large-scale atomic/molecular massively parallel simulator (LAMMPS) package. Interatomic interactions were described using the adaptive intermolecular reactive empirical bond order (AIREBO) potential with activated Lennard-Jones and torsional terms, while multilayer van der Waals interactions employed a 12-6 Lennard-Jones potential. Structural relaxation was conducted using conjugate-gradient energy minimization. Thermal equilibration employed the Nosé-Hoover thermostat within","PeriodicalId":651,"journal":{"name":"Journal of Molecular Modeling","volume":"32 11","pages":""},"PeriodicalIF":2.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Integrative computational analysis of glycan and ROS-linker effects on Pertuzumab-HER2 stability for multimodal ADC architectures.","authors":"Heather A Noriega, Xiang Simon Wang","doi":"10.1007/s10822-026-00963-7","DOIUrl":"https://doi.org/10.1007/s10822-026-00963-7","url":null,"abstract":"<p><p>ADCs rely on linker chemistry to balance systemic stability with conditional activation. Glycoengineering provides additional design opportunities by incorporating terminal sialylated glycans that support multimeric interactions and PEG conjugation. Here, we applied an integrated computational workflow combining structural prediction with AlphaFold3, glycan construction with GLYCAM, docking with DiffDock, and all-atom free-energy perturbation (FEP) simulations in GROMACS using a double-decoupling framework to evaluate the effects of three Fc-linked glycan architectures: a short sialic acid glycan, a branched sialylated glycan with a PEG-accessible branch, and a branched sialylated glycan incorporating both ROS-cleavable branch and a PEG-accessible branch, on Pertuzumab in complex with HER2. Short glycans conferred modest stabilization but limited conformational engagement, while branched variants produced the strongest stabilization, linking structural effects with PEG accessibility. In branched variants, the ROS-responsive branch exhibited reduced stabilization consistent with a conditionally labile architecture, while the PEG-accessible branch remained structurally intact. These findings demonstrate how glycan branching and linker architecture influence relative Fc stabilization and structural behavior within modeled systems and support the use of an integrated computational workflow combining structural modeling, docking, and free-energy calculations to prioritize complex linker chemistries for further experimental validation.</p>","PeriodicalId":621,"journal":{"name":"Journal of Computer-Aided Molecular Design","volume":"40 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149226897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}