3D Structure Research Articles

A node-based smoothed finite element method (NS-FEM) for free and forced vibration analysis of three-dimensional (3D) structures

A node-based smoothed finite element method (NS-FEM) for free and forced vibration analysis of three-dimensional (3D) structures

Multi-epitope vaccine design using in silico analysis of glycoprotein and nucleocapsid of NIPAH virus.

According to the 2018 WHO R&D Blueprint, Nipah virus (NiV) is a priority disease, and the development of a vaccine against NiV is strongly encouraged. According to criteria used to categorize zoonotic diseases, NiV is a stage III disease that can spread to people and cause unpredictable outbreaks. Since 2001, the NiV virus has caused annual outbreaks in Bangladesh, while in India it has caused occasional outbreaks. According to estimates, the mortality rate for infected individuals ranges from 70 to 91%. Using immunoinformatic approaches to anticipate the epitopes of the MHC-I, MHC-II, and B-cells, they were predicted using the NiV glycoprotein and nucleocapsid protein. The selected epitopes were used to develop a multi-epitope vaccine construct connected with linkers and adjuvants in order to improve immune responses to the vaccine construct. The 3D structure of the engineered vaccine was anticipated, optimized, and confirmed using a variety of computer simulation techniques so that its stability could be assessed. According to the immunological simulation tests, it was found that the vaccination elicits a targeted immune response against the NiV. Docking with TLR-3, 7, and 8 revealed that vaccine candidates had high binding affinities and low binding energies. Finally, molecular dynamic analysis confirms the stability of the new vaccine. Codon optimization and in silico cloning showed that the proposed vaccine was expressed to a high degree in Escherichia coli. The study will help in identifying a potential epitope for a vaccine candidate against NiV. The developed multi-epitope vaccine construct has a lot of potential, but they still need to be verified by in vitro & in vivo studies.

A three-dimensional algorithm for precise measurement of human auricle parameters

Measurement of auricle parameters for planning and post-operative evaluation presents substantial challenges due to the complex 3D structure of the human auricle. Traditional measurement methods rely on manual techniques, resulting in limited precision. This study introduces a novel automated surface-based three-dimensional measurement method for quantifying human auricle parameters. The method was applied to virtual auricles reconstructed from Computed Tomography (CT) scans of a cadaver head and subsequent measurement of important clinically relevant aesthetical auricular parameters (length, width, protrusion, position, auriculocephalic angle, and inclination angle). Reference measurements were done manually (using a caliper and using a 3D landmarking method) and measurement precision was compared to the automated method. The CT scans were performed using both a contemporary high-end and a low-end CT scanner. Scans were conducted at a standard scanning dose, and at half the dose. The automatic method demonstrated significantly higher precision in measuring auricle parameters compared to manual methods. Compared to traditional manual measurements, precision improved for auricle length (9×), width (5×), protrusion (5×), Auriculocephalic Angle (5–54×) and posteroanterior position (23×). Concerning parameters without comparison with a manual method, the precision level of supero-inferior position was 0.489 mm; and the precisions of the inclination angle measurements were 1.365 mm and 0.237 mm for the two automated methods investigated. Improved precision of measuring auricle parameters was associated with using the high-end scanner. A higher dose was only associated with a higher precision for the left auricle length. The findings of this study emphasize the advantage of automated surface-based auricle measurements, showcasing improved precision compared to traditional methods. This novel algorithm has the potential to enhance auricle reconstruction and other applications in plastic surgery, offering a promising avenue for future research and clinical application.

Optimized expression of Peptidyl-prolyl cis/transisomerase cyclophilinB with prokaryotic toxicity from Sporothrix globosa.

Cyclophilin B(CypB), a significant member of immunophilins family with peptidyl-prolyl cis-trans isomerase (PPIase) activity, is crucial for the growth and metabolism of prokaryotes and eukaryotes. Sporothrix globosa (S.globosa), a principal pathogen in the Sporothrix complex, causes sporotrichosis. Transcriptomic analysis identified the cypB gene as highly expressed in S. globosa. Our previous study demonstrated that the recombinant E.coli strain containing SgcypB gene failed to produce sufficient product when it was induced to express the protein, implying the potential toxicity of recombinant protein to the bacterial host. Bioinformatics analysis revealed that SgCypB contains transmembrane peptides within the 52 amino acid residues at the N-terminus and 21 amino acids near the C-terminus, and 18 amino acid residues within the cytoplasm. AlphaFold2 predicted a SgCypB 3D structure in which there is an independent PPIase domain consisting of a spherical extracellular part. Hence,we chose to express the extracellular domain to yield high-level recombinant protein with PPIase activity. Finally, we successfully produced high-yield, truncated recombinant cyclophilin B protein from S.globosa (SgtrCypB) that retained characteristic PPIase activity without host bacterium toxicity. This study presents an alternative expression strategy for proteins toxic to prokaryotes, such as SgCypB.

Learning a general model of single phase flow in complex 3D porous media

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance (R 2 = 0.9) when tested on extremely diverse real domains at multiple scales.

Salt hydrates as a source to form co-amorphous systems when prepared in the absence of water: Hydrogen bond analysis

Pharmaceutical multi-component solid forms, including salts, co-crystals and co-amorphous systems (COAMs), are used to modify the physicochemical and pharmaco-kinetic properties of these drugs. Gefitinib and two co-formers, bumetanide and furosemide, form salt hydrates in the presence of water and COAMs in the absence of water using solvent evaporation method. Molecular dynamic simulation and isolated water analysis reveal that water molecules play a multi-faceted role in stabilizing the crystalline salt hydrate systems by reducing the total energy of the system, establishing hydrogen bonds, and maintaining the crystalline 3D structures. Salt hydrates are also formed in the presence of water using liquid-assisted grinding. In the absence of water, intermolecular interactions between Gefitinib and co-formers facilitate the formation of COAMs during ball milling and quench cooling, i.e., in the absence of water. These findings provide valuable insights to the formation of salt hydrates and COAMs by controlling the presence of water.

Comparative toxicity assessment of fisetin-aided artificial intelligence-assisted drug design targeting epibulbar dermoid through phytochemicals

Abstract Epibulbar dermoid, benign tumors resulting from the improper function of the pathogenic protein Patched 1 (PTCH1), surgical interventions are employed to mitigate the lethal effects. However, these procedures often lead to complications such as scleral weakening and corneal astigmatism. Due to the absence of effective medical treatments, there is a critical need for novel approaches to prevent the spread of this disease. This study not only fills a key gap in medical therapy for epibulbar dermoid, but it also demonstrates AI’s transformational potential in drug development. Employing an AI drug design service, three efficient de novo therapeutic compounds targeting the PTCH1 protein were crafted with Fisetin. The method included obtaining the PTCH1 protein sequence from NCBI, computing physiochemical parameters with Expasy Protparam, and estimating the 3D structure with SWISS-MODEL. Quality assessment, binding site prediction, drug design with WADDAICA, Lipinski’s Rule of 5, toxicity screening, ADMET evaluation, docking analysis with CB-dock and Patch dock, and MD simulations with IMOD all work together to provide an adequate basis for the development and validation of AI-designed phytochemical medicines for epibulbar dermoid. Comprehensive pharmacokinetic and toxicity assessments demonstrated the outstanding absorbency of AI-designed Fisetin in the blood–brain barrier, emphasizing its non-toxic nature. The AI-designed Fisetin exhibits a notable affinity of approximately −9.2 kcal/mol during docking with the PTCH1 protein, suggesting its potential as a drug. While the in silico results indicate efficiency and safety, the necessity for in vivo testing is acknowledged to validate these promising findings. This research significantly advances the frontier of knowledge by proposing a non-invasive solution to epibulbar dermoid, addressing current limitations, and offering potential alternatives to conventional surgical interventions.

Morphokinematical study of the planetary nebula Me2-1: Unveiling its point-symmetric and unusual physical structure

Me\,2-1 is a high-excitation planetary nebula whose morphology and physical structure have not yet been investigated. We present narrow-band images in several emission lines, and high- and intermediate-resolution long-slit spectra aimed at investigating its morphology and 3D structure, and its physical parameters and chemical abundances. By applying deconvolution techniques to the images, we identified in Me\,2-1: an elliptical ring; two elongated, curved structures (caps) that contain three pairs of bright point-symmetric (PS) knots; a shell interior of the ring; and a faint halo or attached shell. The caps are observed in all images, while the PS knots are only observed in the low-excitation emission line ones. These structures are also identified in the high-resolution long-slit spectra, allowing us to study their morphokinematics. The 3D reconstruction shows that Me\,2-1 consists of a ring seen almost pole-on, and a virtually spherical shell, to which the caps and PS knots are attached. Caps and PS knots most probably trace the sites where high-velocity collimated bipolar outflows, ejected along a wobbling axis, collide with the spherical shell, are slowed down, and remain attached to it. Although the main excitation mechanism in Me\,2-1 is found to be photoionization, a contribution of shocks in the PS knots is suggested by their emission line ratios. The combination of collimated outflows and a ring with a spherical shell is unusual among planetary nebulae. We speculate that two planets, each with less than one Jupiter mass, could be involved in the formation of Me\,2-1 if both enter a common envelope evolution during the asymptotic giant branch phase of the progenitor. One planet is tidally disrupted, forming an accretion disk around the central star, from which collimated bipolar outflows are ejected; the other planet survives, causing wobbling of the accretion disk. The physical parameters and chemical abundances obtained from our intermediate-resolution spectrum are similar to those obtained in previous analyses, with the abundances also pointing to a low-mass progenitor of Me\,2-1.

MART3D: A Multilayer Heterogeneous 3D Radiative Transfer Framework for Characterizing Forest Disturbances

The utilization of radiative transfer models for interpreting remotely sensed data to evaluate forest disturbances is a cost-effective approach. However, the current radiative transfer modeling approaches are either too abstract (e.g., 1D models) or too complex (detailed 3D models). This study introduces a novel multilayer heterogeneous 3D radiative transfer framework with medium complexity, termed MART3D, for characterizing forest disturbances. MART3D generates 3D canopy structures accounting for the within-crown clumping by clustering leaves, which is modeled as a turbid medium, around branches, applicable for forests of medium complexity, such as temperate forests. It then automatically generates a multilayer forest with grass, shrub and several layers of trees using statistical parameters, such as the leaf area index and fraction of canopy cover. By employing the ray-tracing module within the well-established LargE-Scale remote sensing data and image Simulation model (LESS) as the computation backend, MART3D achieves a high accuracy (RMSE = 0.0022 and 0.018 for red and Near-Infrared bands) in terms of the bidirectional reflectance factor (BRF) over two RAMI forest scenes, even though the individual structures of MART3D are generated solely from statistical parameters. Furthermore, we demonstrated the versatility and user-friendliness of MART3D by evaluating the band selection strategy for computing the normalized burn ratio (NBR) to assess the composite burn index over a forest fire scene. The proposed MART3D is a flexible and easy-to-use tool for studying the remote sensing response under varying vegetation conditions.

Effect of Geopolymerization Reaction on the Flexural Strength of Kaolin-Based Systems

Geopolymers exhibit broad application prospects, including construction and radiation shielding, which require excellent mechanical performances. However, investigations on the nature of geopolymerization reactions and their consequential impact on mechanical performance are still vague. In this study, the effect of the major factors of Si/Al ratio and curing time on the geopolymerization reaction and flexural strength were studied based on the microstructure evolution and chemical bonding formation analyzed using the SEM, FTIR, peak deconvolution, and XRD methods. The microstructure of geopolymers was transferred from initially layered smooth particles of kaolinite to a 3D network porous structure, corresponding to sodalite. A spectrum exclusive to the geopolymer structure occurred at 973 cm−1, corresponding to the sodium aluminum silicate hydrate (N-A-S-H) links, the integral area of which represents the degree of geopolymerization reaction. Furthermore, a controllable reaction degree was achieved by adjusting the Si/Al ratio and curing time, where the maximum reaction degree of 55% was achieved at a Si/Al ratio of 1.94 when cured for 7 d. The correlation between the flexural strength and reaction degree was found to follow a proportional relationship, achieving a flexural strength of 21.11 MPa with a degree of 45%. This study provides insight into the development of mechanical strength through controlling the reaction process.

Enhanced Energy Storage Performance through Controlled Composition and Synthesis of 3D Mixed Metal-Oxide Microspheres

Binary transition metal oxide complexes (BTMOCs) in three-dimensional (3D) layered structures show great promise as electrodes for supercapacitors (SCs) due to their diverse oxidation states, which contribute to high specific capacitance. However, the synthesis of BTMOCs with 3D structures remains challenging yet crucial for their application. In this study, we present a novel approach utilizing a single-step hydrothermal technique to fabricate flower-shaped microspheres composed of a NiCo-based complex. Each microsphere consists of nanosheets with a mesoporous structure, enhancing the specific surface area to 23.66 m2 g−1 and facilitating efficient redox reactions. When employed as the working electrode for supercapacitors, the composite exhibits remarkable specific capacitance, achieving 888.8 F g−1 at 1 A g−1. Furthermore, it demonstrates notable electrochemical stability, retaining 52.08% capacitance after 10,000 cycles, and offers a high-power density of 225 W·kg−1, along with an energy density of 25 Wh·kg−1, showcasing its potential for energy storage applications. Additionally, an aqueous asymmetric supercapacitor (ASC) was assembled using NiCo microspheres-based complex and activated carbon (AC). Remarkably, the NiCo microspheres complex/AC configuration delivers a high specific capacitance of 250 F g−1 at 1 A g−1, with a high energy density of 88 Wh kg−1, for a power density of 800 W kg−1. The ASC also exhibits excellent long-term cyclability with 69% retention over 10,000 charge–discharge cycles. Furthermore, a series of two ASC devices demonstrated the capability to power commercial blue LEDs for a duration of at least 40 s. The simplicity of the synthesis process and the exceptional performance exhibited by the developed electrode materials hold considerable promise for applications in energy storage.

Dual‐Cooling Textile Enables Vertical Heat Dissipation and Sweat Evaporation For Thermal and Moisture Regulation

AbstractPersonal thermal management textiles have garnered a lot of attention because they can efficiently preserve the body's thermal and moisture comfort while saving energy consumption. Nonetheless, conduction cooling‐based textile research is scarce and frequently encounters obstacles like overlooking through‐plane heat conduction, moisture management, and durability assurance. Here, a dual‐cooling textile (DCT) that combines high‐efficiency heat dissipation and sweat evaporation with a 3D thermal conductive network and Janus wetting structure is demonstrated. The DCT achieves notable in‐plane and through‐plane thermal conductivity (8.57 and 0.70 W m−1 K−1), along with practical mechanical qualities (tensile fracture strength of 65 MPa), under the influence of the 3D multistage thermal conduction network. Additionally, the DCT benefits from its Janus wetting structure, exhibiting unidirectional moisture‐wicking capability (transport index of 1081%) and fast water evaporation performance (0.34 g h−1). Rapid heat dissipation and sweat evaporation are advantageous features for the cooling of the human body in both static and dynamic situations. Compared to cotton fabric, DCT can lower the temperature by up to 3.7 °C. This strategy provides a fresh perspective on the development of advanced functional textiles for personalized cooling and energy savings in buildings.

Genomic evidence for the widespread presence of GH45 cellulases among soil invertebrates.

Lignocellulose is a major component of vascular plant biomass. Its decomposition is crucial for the terrestrial carbon cycle. Microorganisms are considered primary decomposers, but evidence increases that some invertebrates may also decompose lignocellulose. We investigated the taxonomic distribution and evolutionary origins of GH45 hydrolases, important enzymes for the decomposition of cellulose and hemicellulose, in a collection of soil invertebrate genomes. We found that these genes are common in springtails and oribatid mites. Phylogenetic analysis revealed that cellulase genes were acquired early in the evolutionary history of these groups. Domain architectures and predicted 3D enzyme structures indicate that these cellulases are functional. Patterns of presence and absence of these genes across different lineages prompt further investigation into their evolutionary and ecological benefits. The ubiquity of cellulase genes suggests that soil invertebrates may play a role in lignocellulose decomposition, independently or in synergy with microorganisms. Understanding the ecological and evolutionary implications might be crucial for understanding soil food webs and the carbon cycle.

Highly stretchable alginate/methylcellulose hydrogels for 3D bio-printing: photopolymerization approach enhancing structural integrity

In recent years, 3D hydrogels based on alginate (Alg) have undergone substantial advancements, holding transformative potential for biomedicine and regenerative medicine. Nevertheless, the viscosity of Alg needs to be further increased, in order to print complex 3D structures. Attempts to adjust printability often employ rheological modifiers like methylcellulose (MC), but these still lack mechanical integrity for broader biomedical applications. Our study sought to chemically modify Alg/MC to create a photopolymerizable hydrogel by incorporating acrylate-based monomers, which would enhance the curing ability of the base hydrogel, leading to better mechanical properties of Alg/MC, such as stretchability and stability with shape recovery. Comprehensive mechanical assessments unveiled remarkable tensile properties, achieving a notable specific strength benchmark of 44.72 kPa/(g.cm-3) before reaching the point of fracture. This represents a substantial 250 % improvement compared to samples lacking the acrylate monomer. Biomedical assessments confirmed the hydrogel's promising potential, especially with the MG-63 cell line, underscoring its suitability for advanced applications like tissue engineering.

Spatial Graphene Structures with Potential for Hydrogen Storage

Spatial graphene is a 3D structure of a 2D material that preserves its main features. Its production can be originated from the water solution of graphene oxide (GO). The main steps of the method include the crosslinking of flakes of graphene via treatment with hydrazine, followed by the reduction of the pillared graphene oxide (pGO) with hydrogen overpressure at 700 °C, and further decoration with catalytic metal (palladium). Experimental research achieved the formation of reduced pillared graphene oxide (r:pGO), a porous material with a surface area equal to 340 m2/g. The transition from pGO to r:pGO was associated with a 10-fold increase in pore volume and the further reduction of remaining oxides after the action of hydrazine. The open porosity of this material seems ideal for potential applications in the energy industry (for hydrogen storage, in batteries, or in electrochemical and catalytic processes). The hydrogen sorption potential of the spatial graphene-based material decorated with 6 wt.% of palladium reached 0.36 wt.%, over 10 times more than that of pure metal. The potential of this material for industrial use requires further refining of the elaborated procedure, especially concerning the parameters of substrate materials.

A Novel Peptidomimetic Insecticide: Dippu-AstR-Based Rational Design and Biological Activity of Allatostatin Analogs.

Insect neuropeptides play an essential role in regulating growth, development, reproduction, nerve conduction, metabolism, and behavior in insects; therefore, G protein-coupled receptors of neuropeptides are considered important targets for designing green insecticides. Cockroach-type allatostatins (ASTs) (FGLamides allatostatins) are important insect neuropeptides in Diploptera punctata that inhibit juvenile hormone (JH) synthesis in the corpora allata and affect growth, development, and reproduction of insects. Therefore, the pursuit of novel insecticides targeting the allatostatin receptor (AstR) holds significant importance. Previously, we identified an AST analogue, H17, as a promising candidate for pest control. Herein, we first modeled the 3D structure of AstR in D. punctata (Dippu-AstR) and predicted the binding mode of H17 with Dippu-AstR to study the critical interactions and residues favorable to its bioactivity. Based on this binding mode, we designed and synthesized a series of H17 derivatives and assessed their insecticidal activity against D. punctata. Among them, compound Q6 showed higher insecticidal activity than H17 against D. punctata by inhibiting JH biosynthesis, indicating that Q6 is a potential candidate for a novel insect growth regulator (IGR)-based insecticide. Moreover, Q6 exhibited insecticidal activity against Plutella xylostella, indicating that these AST analogs may have a wider insecticidal spectrum. The underlying mechanisms and molecular conformations mediating the interactions of Q6 with Dippu-AstR were explored to understand its effects on the bioactivity. The present work clarifies how a target-based strategy facilitates the discovery of new peptide mimics with better bioactivity, enabling improved IGR-based insecticide potency in sustainable agriculture.

Growth of Single Crystalline 2D Materials beyond Graphene on Non-metallic Substrates.

The advent of 2D materials has ushered in the exploration of their synthesis, characterization and application. While plenty of 2D materials have been synthesized on various metallic substrates, interfacial interaction significantly affects their intrinsic electronic properties. Additionally, the complex transfer process presents further challenges. In this context, experimental efforts are devoted to the direct growth on technologically important semiconductor/insulator substrates. This review aims to uncover the effects of substrate on the growth of 2D materials. The focus is on non-metallic substrate used for epitaxial growth and how this highlights the necessity for phase engineering and advanced characterization at atomic scale. Special attention is paid to monoelemental 2D structures with topological properties. The conclusion is drawn through a discussion of the requirements for integrating 2D materials with current semiconductor-based technology and the unique properties of heterostructures based on 2D materials. Overall, this review describes how 2D materials can be fabricated directly on non-metallic substrates and the exploration of growth mechanism at atomic scale.

Multimaterial 3D Laser Printing of Cell-Adhesive and Cell-Repellent Hydrogels.

Here, a straightforward method is reported for manufacturing 3D microstructured cell-adhesive and cell-repellent multimaterials using two-photon laser printing. Compared to existing strategies, this approach offers bottom-up molecular control, high customizability, and rapid and precise 3D fabrication. The printable cell-adhesive polyethylene glycol (PEG) based material includes an Arg-Gly-Asp (RGD) containing peptide synthesized through solid-phase peptide synthesis, allowing for precise control of the peptide design. Remarkably, minimal amounts of RGD peptide (<0.1wt%) suffice for imparting cell-adhesiveness, while maintaining identical mechanical properties in the 3D printed microstructures to those of the cell-repellent, PEG-based material. Fluorescent labeling of the RGD peptide facilitates visualization of its presence in cell-adhesive areas. To demonstrate the broad applicability of the system, the fabrication of cell-adhesive 2.5D and 3D structures is shown, fostering the adhesion of fibroblast cells within these architectures. Thus, this approach allows for the printing of high-resolution, true 3D structures suitable for diverse applications, including cellular studies in complex environments.

Quasi-static and dynamic behavior analysis of 3D CFRP woven laminated composite auxetic structures for load-bearing and energy absorption applications

This paper investigated the quasi-static and dynamic behavior of 3D auxetic metamaterial structures made from carbon fiber reinforced polymer (CFRP) laminated composite. The aim of the study was to enhance design methodologies for load-bearing and energy absorption applications of these 3D novel structures, filling the research gap in understanding their response to quasi-static and especially dynamic loadings. The two novel 3D structures were designed and fabricated by using an interlocking assembly method based on the 2D auxetic CFRP sheets, which were formed with hybrid double-arrow-head with re-entrant and star unit-cells and made with plain weave carbon epoxy prepregs. The finite element (FE) method was adopted to analyze the mechanical characteristics of the structures under the quasi-static and dynamic loading, and Hashin failure criteria were used to define damage in the structures. The study showed that the designed 3D auxetic CFRP structures simultaneously exhibit superior auxeticity, load-bearing, and energy absorption capacity.

Preparation and formation mechanism of high-toughness organic polymers modified geopolymers

In recent years, geopolymers have shown potential to replace ordinary cement materials due to their simple preparation, low cost, and excellent performance. Adding organics to geopolymers can enhance toughness and broaden their application potential as building materials. However, the effect of common molding processes to enhance the toughness of organic polymers modified geopolymers remains very limited. In this study, high-toughness organic polymers modified geopolymers were prepared using vacuum-vibration-compaction (VVC) molding. The incorporation of 3-methacryloy loxypropyl trimethoxysilane (KH570) and sodium polyacrylate (PAAS), (KH-PAAS), was evaluated on the toughness system of the slag-based geopolymers. The micromechanical properties of the different hydrated phases were analyzed using a nano-scratch test (NST) and atomic force microscopy (AFM). The high fracture toughness (1.6–2.6 MPa*m0.5) and low elastic modulus (20–30 GPa) of the hydrated new phase C-(A)-S-H/Polymer gels were proposed. KH-PAAS modified geopolymers produced 57–59 % C-(A)-S-H/Polymer gels in which C-(A)-S-H/Polymer gels, C-(A)-S-H gels, and KH-PAAS were planarly cross-distributed to form a 3D network structure. The toughness of KH-PAAS modified geopolymers is related to the amount of C-(A)-S-H/Polymer gels generation and distribution form. Finally, the formation mechanism of the C-(A)-S-H/Polymer gels was analyzed using time-of-flight secondary ion mass spectrometry (ToF-SIMS) to quantify the ratio of different chemical reactions. The specific ratio was C-(A)-S-H-KH: C-(A)-S-H-PAAS: Ca-PAAS: KH–C-(A)-S-H-PAAS = 2.42 : 6.78: 47.58 : 1. This study provides ideas for subsequent investigation of the toughening mechanism of organic polymers modified geopolymers.