Self-assembly Process Research Articles

Supramolecular Gelation Based on Native Amino Acid Tyrosine and Its Charge-Transfer Complex Formation.

Self-assembly of amino acids and short-peptide derivatives attracted significant curiosity worldwide due to their unique self-assembly process and wide variety of applications. Amino acid is considered one of the important synthons in supramolecular chemistry. Self-assembly processes and applications of unfunctionalized native amino acids have been less reported in the literature. In this article, we are first-time reporting the self-assembly process of tyrosine (Tyr), an aromatic amino acid, in dimethyl sulfoxide (DMSO) solvent. Most of the studies related to Tyr self-assembly were reported in different aqueous solutions. In our work, we studied the self-assembly in several common organic solvents and found that Tyr could self-assemble into a supramolecular gel in dimethyl sulfoxide (DMSO) solvent. The self-assembly process was investigated by several techniques, such as UV-vis, fluorescence, FTIR, and NMR spectroscopy. Morphological features on the nanoscale were investigated through scanning electron microscopy (SEM). SEM images indicated the formation of nanofibrils with high aspect ratios. The supramolecular gel property was investigated by different rheological experiments. Computational study on the self-assembly process of Tyr in DMSO medium suggested that noncovalent interactions like hydrogen bonding and π-π stacking among the Tyr molecules played a prominent role. Finally, the charge-transfer complex formation ability of electron-rich Tyr with electron-deficient 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) was studied. In the presence of DDQ due to the charge-transfer complex formation, the supramolecular gel converted into a reddish color solution, and their fibrillar nanoscale morphologies collapsed.

Dynamics of a single anisotropic particle under various resetting protocols

We study analytically the dynamics of an anisotropic particle subjected to different stochastic resetting schemes in two dimensions. The Brownian motion of shape-asymmetric particles in two dimensions results in anisotropic diffusion at short times, while the late-time transport is isotropic due to rotational diffusion. We show that the presence of orientational resetting promotes the anisotropy to late times. When the spatial and orientational degrees of freedom are reset, we find that a non-trivial spatial probability distribution emerges in the steady state that is determined by the initial orientation, particle asymmetry and the resetting rate. When only spatial degrees of freedom are reset while the orientational degree of freedom is allowed to evolve freely, the steady state is independent of the particle asymmetry. When only particle orientation is reset, the late-time probability density is given by a Gaussian with an effective diffusion tensor, including off-diagonal terms, determined by the resetting rate. Generally, the coupling between the translational and rotational degrees of freedom, when combined with stochastic resetting, gives rise to unique behavior at late times not present in the case of symmetric particles. Considering recent developments in experimental implementations of resetting, our results can be useful for the control of asymmetric colloids, for example in self-assembly processes.

Deposition of VS2/MoS2 bilayer layers of 2D material on nickel inverse opal structural substrates by SILAR and ECD processes as supercapacitor electrodes

The composition, microstructure, and electrochemical properties of the two kinds of thin film electrode materials, namely VS2/MoS2/Ni-IOS and VS2/MoS2/Ni-foam, were analyzed. The research results indicate that the self-assembled photonic crystal (PhC) templates with adjusted electrophoretic self-assembly processing parameters (100 V cm-1; 7 min) would lead the specimen to a face-centered closely packed structure. Metallic nickel inverse opal structure (IOS) PhCs whose thickness can be freely regulated simply by electrochemical deposition time. VS2and MoS2are 2D materials with excellent electrochemical properties. We employed them as the electroactive material in this study and deposited them onto nickel IOS (Ni-IOS) surfaces to form a composite of The specimens exhibited an excellent specific capacitance (2180 F g-1) at a charge-discharge current density of 5 A g-1. After the 2000 cycles during the life test, the sample can still retain the original specific capacitance value by 72.3%. The IOS PhC substrate produced in this work is designed as VS2/MoS2/Ni-IOS supercapacitor electrode materials, which is proved to offer a significant technical contribution to the application of 2D materials in high-performance supercapacitors currently.

Probing Functional Thin Films with Grazing Incidence X-Ray Scattering: The Power of Indexing

Grazing incidence small- and wide-angle X-ray scattering (GISAXS, GIWAXS) has been widely applied for the study of functional thin films, be it for the characterization of nanostructured morphologies in block copolymers, nanocomposites, and nanoparticle assemblies, or for the packing and orientation of aromatic molecules or conjugated polymers. Solution-processed thin films are typically uniaxial powders, with a specific crystallographic plane oriented parallel to the substrate surface while ordered domains assume random orientations laterally. The convenient GISAXS/GIWAXS scattering geometry facilitates obtaining complete information about thin film structure as well as the ability to study samples in well-defined sample environments, as controlled by temperature, exposure to solvent vapor and drying, or coating processes. Moreover, with suitable X-ray sources and detectors, information about the ordering kinetics and phase transitions can be obtained down to the millisecond scale. The scattering geometry and an interactive graphical tool to index such scattering patterns will be discussed here. Furthermore, it will be demonstrated that proper indexing of the X-ray scattering patterns can provide deep insight into thin film structure–property relationships and the kinetics of structure formation. Recent examples of nanostructures and molecular organization in thin films will be discussed, as well as self-assembly processes leading to such structures.

Strongly Coupled Interface in Electrostatic Self-Assembly Covalent Triazine Framework/Bi19S27Br3 for High-Efficiency CO2 Photoreduction.

Constructing a strong bonded interface is highly desired to build fast charge-transfer channels and tune reactive sites for optimizing CO2 photoreduction. In this work, a covalent triazine framework (CTF) combined with a Bi19S27Br3 heterojunction is designed using an electrostatic self-assembly process. Due to the oppositely charged states between two components and ultrasonic treatment, a strong coupled interface is realized with the formation of Bi-C/N/O bonds, leading to robust interfacial polarization. This feature causes interfacial charge redistribution, intensifies the interaction between triazine N reactive sites and CO2, stabilizes the intermediate state, and lowers the reaction energy barrier. Meanwhile, the chemically bonded interface favors rapid electron migration from Bi19S27Br3 to CTF, as proved by ultrafast transient absorption spectroscopy and in situ irradiation XPS. As a result, CTF/Bi19S27Br3 delivers a superior CO2 photoreduction performance to yield CO (572.2 μmol g-1 h-1) in a pure water system, which is 38.6 times that of Bi19S27Br3, with apparent quantum yields up to 7.9 and 6.2% at 380 and 400 nm, respectively. This strong interfacial coupling strategy provides an accessible pathway to designing interfacial polarized, high-efficiency photocatalysts.

Efficient visible light-driven Photodegradation of malachite green dye using carbon quantum dots-MXene nanocomposite: Synthesis, characterization, and performance evaluation

BackgroundRemoval of azo dyes is one of important issue in water treatment studies and many of research works focused on it. Current work represents a simple and economical feasible to synthesize carbon quantum dots (CQDs) integrated with Ti3C2(OH)2 MXene nanocomposite (CQDs/MXene) for rapid photodegradation of Malachite green (MG) under visible light irradiation. In practice, CQDs were synthesized via a hydrothermal method from Petroselinum crispum leaves, while Ti3C2(OH)2 nanosheets resulted from a simple etching process of Ti3AlC2 using an alkaline solution (KOH with a trace amount of water). MethodsSubsequently, nanocomposites (CQDs/MXene) were prepared by a self-assembly process through sonication-assisted mixing process under ambient conditions. The prepared catalysts were characterized using various analyses like analysis employing field-emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), and an energy dispersion X-ray (EDX) spectrometer to determine the chemical composition. The optimum measurement of this activity of the CQDs/MXene was attained through adjusting several constraints such as pH, dye concentration, amount of temperature and photocatalyst. Significant findingsThe kinetics of the degradation process were represented using the Langmuir–Hinshelwood model, with a rate constant (k) of 0.1382 min−1. This means that the degradation of MG dye follows a first-order reaction with respect to the dye concentration. In addition, the study also looked at the reusability of the prepared CQDs/MXene nanophotocatalyst and found that it exhibited outstanding stability after three reaction cycles. This suggests that the nanophotocatalyst is a promising material for efficient and sustainable degradation of MG dye. The nanocomposite displays high photocatalytic activity with the ability to reduce 96.1 % of the MG dye concentration after being exposed to 25 min of visible light.

Overcoming drug delivery challenges with lipid-based nanofibers for enhanced wound repair.

Wound healing is a dynamic, multi-phase process that includes haemostasis, tissue regeneration, cellular proliferation, and matrix modification. Traditional wound care procedures frequently encounter complications such as delayed healing and infection, demanding new therapeutic approaches. In this context, nanomaterial-based devices provide considerable benefits due to their capacity to improve medication delivery and tissue healing. We suggest a lipid-based nanofiber formulation for wound treatment that overcomes the restricted skin penetration of hydrophilic niacin, a strong wound healing agent. Niacin-loaded nanofibers (NLNFs) were manufactured utilizing glyceryl monostearate (GMS) by a self-assembly process, which included high-pressure homogenization and probe sonication for optimum nanostructure creation. The NLNFs were physicochemically characterized using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction, scanning electron microscopy (SEM) and surface profilometry to determine their morphology and homogeneity, and a drop shape analyser was used to determine hydrophobicity. In vitro tests revealed prolonged drug release, great cytocompatibility, and strong antioxidant activity, indicating superior free radical scavenging capacity. Ex vivo tests, such as the Draize skin irritation test, skin permeation test, and drug retention assays, revealed low skin irritation, increased permeability, and efficient drug retention in skin layers. In vivo experiments showed rapid wound closure and positive histological results, which were backed by hemocompatibility tests such as hemolysis and whole blood clot analysis, validating the formulation's safety. ELISA results indicated that the NLNF-treated group had higher levels of critical wound-healing indicators than the controls. Overall, our findings suggest that NLNFs have tremendous potential as a unique and effective treatment alternative for controlling and improving wound healing processes.

Probing assembly/disassembly of ordered molecular hydrogels.

Supramolecular hydrogels have a wide range of applications in the biomedical field, acting as scaffolds for cell culture, matrices for tissue engineering and vehicles for drug delivery. L-Phenylalanine (Phe) is a natural amino acid that plays a significant role in several physiological and pathophysiological processes (phenylketonuria and assembly of fibrils linked to tissue damage). Since Myerson et al. [Chem. Eng. Commun., 2002, 189(8), 1079-1090] reported that Phe forms a fibrous network in vitro, Phe's self-assembly processes in water have been thoroughly investigated. We have reported structural control over gelation by introduction of a halogen atom in the aromatic ring of Phe, driving changes in the packing motifs, and therefore, dictating gelation functionality. The additional level of control gained over supramolecular gelation via the preparation of multi-component gel systems offers significant advantages in tuning functional properties of such materials. Gaining molecular-level information on the distribution of gelators between the inherent structural and dynamic heterogeneities of these materials remains a considerable challenge. Using multicomponent gels based on Phe and amino-L-phenylalanine (NH2-Phe), we will explore the patterns of ordered/disordered domains in the gel fibres and will attempt to come up with general trends of interactions in the gel fibres and at the fibre/solution interfaces. Phe and NH2-Phe were found to self-assemble in water into crystalline hydrogels. The determined faster dynamics of exchange between the gel and solution states of NH2-Phe in comparison with Phe were correlated with weaker intermolecular interactions, highlighting the role of head groups in dictating the strength of intermolecular interactions. In the mixed Phe/NH2-Phe systems, at a low concentration of NH2-Phe, disruption of the network was promoted by interference of the aliphatics of NH2-Phe with the electrostatic interactions between Phe molecules. At high concentrations of NH2-Phe, multiple-gelator hydrogels were formed with crystal habits different from those of the pure gel fibres. NMR crystallography approaches combining the strengths of solid- and solution-state NMR proved particularly suitable to obtain structural and dynamic insights into the "ordered" fibres, solution phase and fibre/solution interfaces in these gels. These findings are supported by a plethora of experimental (diffraction, rheology, microscopy and thermal analysis) and computational methods.

Modelling ligand exchange in metal complexes with machine learning potentials.

Metal ions are irreplaceable in many areas of chemistry, including (bio)catalysis, self-assembly and charge transfer processes. Yet, modelling their structural and dynamic properties in diverse chemical environments remains challenging for both force fields and ab initio methods. Here, we introduce a strategy to train machine learning potentials (MLPs) using MACE, an equivariant message-passing neural network, for metal-ligand complexes in explicit solvents. We explore the structure and ligand exchange dynamics of Mg2+ in water and Pd2+ in acetonitrile as two illustrative model systems. The trained potentials accurately reproduce equilibrium structures of the complexes in solution, including different coordination numbers and geometries. Furthermore, the MLPs can model structural changes between metal ions and ligands in the first coordination shell, and reproduce the free energy barriers for the corresponding ligand exchange. The strategy presented here provides a computationally efficient approach to model metal ions in solution, paving the way for modelling larger and more diverse metal complexes relevant to biomolecules and supramolecular assemblies.

Self-assembled peptide-based nanofibers for cardiovascular tissue regeneration.

Cardiovascular diseases are the leading cause of death worldwide, claiming millions of lives every year. Cardiac tissue engineering has emerged as a versatile option for repairing cardiac tissue and helping its regeneration. The use of nanomaterials, particularly nanofiber-based scaffolds combined with biomolecular cues like peptides, has significantly improved the compatibility and efficacy of the scaffolds for cardiac tissue regeneration. By utilising the self-assembly properties of peptides to create nanofiber scaffolds, we can achieve stability that closely mimics the natural components of cardiac tissue, making them perfect for cardiac tissue regeneration. In this review, we highlighted the dynamic process of self-assembly into nanofibers and the use of various self-assembled nanofibers for cardiovascular tissue regeneration, focusing on their roles in antithrombotic, angiogenic, differentiation, proliferation, and anti-atherosclerotic interventions.

Self-assembly driven regulation of 3d brush-/flower-like silk nanostructures with robust structural effects on composites construction

Natural designs provide abundant inspirations for constructing structure regulated, performance enhanced and function enriched materials. An impressive 3D brush-like silk nanostructure (SNB) was designed and regulated via template-guided self-assembly approach in our previous work. While fundamental issues on template-guided self-assembly process to construct SNBs and followed by regulating flower-like silk nanostructure (SNF) mineralization have not been studied in detail yet. Robust structural effects and additional functionalities on composites construction remain hazy. Herein, current works concentrate on issues related to assembly dynamics, structural features, characteristic parameters and assembly simulation during template-guided self-assembly process. Morphologies change, transmittance, pH value, zeta-potential, ThT-induced fluorescence emission and MD simulation are measured to monitor SNBs formation, proving it's a nucleus reliance and conformation transition process. Structural superiorities of SNBs and SNFs are proved by constructing composited materials (such as membranes, hydrogels or aerogels) with cellulose or chitin derivatives, and enhanced mechanical performance, excellent viscoelastic behavior or highly porous network can be found therewith. In addition, additional functionalities such as Ag nanoparticle reducing property and anti-bacteria application are evaluated as well. This work is expected to provide guidelines and inspirations for tailoring versatile structures in controlled manners and exploiting functional features to expand silk utilization scopes.

Fine-Tuning of the Sequential Self-Assembly of Entangled Polyhedra by Exploiting the Side-Chain Effect.

The control of the sequential self-assembly processes of highly entangled (Ag3L2)n (n=2,4,6,8) and Ag21L12 coordination polyhedra using side-chain effects was studied via the introduction of linear or branched side chains into the tripodal ligands. In addition to changes in the intermediate polyhedral species affording the multi- pathway process, disruption of the kinetic control of the sequential self-assembly was observed, thus demonstrating the utility of steric control for the construction of 3D-entangled molecular materials on the 5 nm scale with high molecular complexity.

PSMA-Targeted Intracellular Self-Assembled Probe for Enhanced PET Imaging.

Positron-emission tomography (PET) offers high sensitivity for cancer diagnosis. However, small-molecule-based probes often exhibit insufficient accumulation in tumor sites, while nanoparticle-based agents typically have limited delivery efficiency. To address this challenge, this study proposes a novel PET imaging probe, 68Ga-CBT-PSMA, designed for prostate cancer. This probe integrates an intracellular self-assembly strategy to enhance PET imaging signals and significantly improve the signal-to-noise ratio. The glutamate-urea-based prostate-specific membrane antigen (PSMA)-targeting motif enables specific recognition of prostate cancer cells and enhances cellular uptake; then the self-assembly process induced by glutathione reduction effectively accumulates the probe within tumor cells, thereby amplifying PET imaging signals. This approach not only enhances signal intensity and resolution but also facilitates precise cancer localization and diagnosis, offering new avenues for advancing cancer diagnostic techniques.

Exploration of Fusion and Fission of Molecular Assemblies in Aqueous Solution through a Dynamic Clustering Approach.

To understand the mechanism of self-assembly and to predict the evolutionary pattern of the fusion-fission system over a long period of time, studying the dynamics of these processes is of great significance. The trajectories from molecular dynamics (MD) simulations of self-assembly processes contain numerous latent fusion and fission events. To analyze the fusion and fission events from the simulated trajectory, in this article, a dynamic clustering approach was developed by comparing the changes of monomer composition within clusters over simulated time. The rates of fusion and fission events obtained from dynamic clustering analysis were further coupled with the population balance model (PBM), and the evolution of the molecular assemblies calculated is reasonably consistent with the corresponding MD simulation results. This approach provides a new idea to analyze the big data of molecular self-assembly dynamics obtained from MD simulations, and it offers a computationally achievable approach to connect discrete events at the molecular scale with continuum equations such as the PBM at the macroscale.

Self-Assembly of Human Fibrinogen into Microclot-Mimicking Antifibrinolytic Amyloid Fibrinogen Particles.

Recent clinical studies have highlighted the presence of microclots in the form of amyloid fibrinogen particles (AFPs) in plasma samples from Long COVID patients. However, the clinical significance of these abnormal, nonfibrillar self-assembly aggregates of human fibrinogen remains debated due to the limited understanding of their structural and biological characteristics. In this study, we present a method for generating mimetic microclots in vitro. Using this approach, the self-assembly process, structural organization of AFPs, and their interactions with human plasma components were elucidated. The amyloid transition of fibrinogen occurs under acidic conditions within a pH range of 2.3-3.2. Well-dispersed amyloid oligomers of fibrinogen, ranging in size from 1 to 5 μm, can be prepared at pH 2.8 after 1 h of incubation. We tracked the dynamic self-assembly process at the single-molecule level using high-speed atomic force microscopy (HS-AFM). The arrangement of amyloid oligomers manifests as well-ordered, stacked nanodomains with striped patterns, growing perpendicular to the primary axis of the fibrinogen monomer. Upon transfer to physiological solution conditions or human plasma, these amyloid oligomers further aggregate into nonfibrillar structures at the micrometer scale, resembling the microclots observed in the bloodstream of Long COVID patients. Notably, these AFPs exhibit characteristics consistent with microclots, including positive staining in thioflavin T (ThT) assays and resistance to fibrinolysis. Proteomic analysis suggests that AFPs interact with various components of human plasma and have an enhanced binding affinity with complement C3 compared to native fibrinogen. This study enables the in vitro preparation of mimetic microclots exhibiting amyloid features. It is anticipated to facilitate further researches on the mechanisms, detection, and treatment of diseases associated with fibrinogen amyloidogenesis.

Unveiling the self-assembly process of gellan-chitosan complexes through a combination of atomistic simulations and experiments.

Polyelectrolyte complexes (PECs), formed via the self-assembly of oppositely charged polysaccharides, are highly valued for their biocompatibility, biodegradability, and hydrophilicity, offering significant potential for biotechnological applications. However, the complex nature and lack of insight at a molecular level into polyelectrolytes conformation and aggregation often hinders the possibility of achieving an optimal control of PEC systems, limiting their practical applications. To address this problem, an in-depth investigation of PECs microscopic structural organization is required. In this work, for the first time, a hybrid approach that combines experimental techniques with atomistic molecular dynamics simulations is used to elucidate, at a molecular level, the mechanisms underlying the aggregation and structural organization of complexes formed by gellan and chitosan, i.e. PECs commonly used in food technology. This combined analysis reveals a two-step complexation process: gellan initially self-assembles into a double-helix structure, subsequently surrounded and stabilized by chitosan via electrostatic interactions. Furthermore, these results show that complexation preserves the individual conformation and intrinsic functionality of both polyelectrolytes, thereby ensuring the efficacy of the PECs in biotechnological applications.

Magnetointeractive Cr2Te3-Coated Liquid Metal Droplets for Flexible Memory Arrays and Wearable Sensors.

Magnetic liquid metal droplets, featured by unique fluidity, metallic conductivity, and magnetic reactivity, are of growing significance for next-generation flexible electronics. Conventional fabrication routes, which typically incorporate magnetic nanoparticles into liquid metals, otherwise encounter the pitfall pertaining to surface adhesivity and corrosivity over device modules. Here, an innovative approach of synergizing liquid metals with 2D magnetic materials is presented, accordingly creating chromium(III)-telluride-coated liquid metal (CT-LM) droplets via a simple self-assembly process. The CT-LM droplets exhibit controllable deformation and locomotion under magnetic fields, demonstrate nonadherence to various surfaces, and enable cost-effective recycling of components. The functionality of CT-LM droplets is validated through their use in magnetointeractive memory devices to enable sensing/storing 64 magnetic paths and in wearable sensors as the flexible vibrator for dynamic gesture recognition with machine learning assistance. This work opens new avenues for the functional droplet design and broadens the horizons of flexible electronics.

Visualizing supramolecular assembly behavior, stimulus response, and solid state emission of higher-order Pt2+ aggregates.

Here, we present the first instance of a highly efficient red tetramer aggregate with tunable emission based on a cationic platinum(II) complex in conjunction with a silver cluster anion counterpart. This system exhibits multicolor emission response behaviors, which can be conveniently and directly detected through spectroscopic analysis, showcasing intriguing luminescence changes. The self-assembly of Pt⋯, π-π, and hydrogen bonding interactions not only enables an intriguing color adjustment from green to yellow emission, and eventually to red emission, but also demonstrates the co-existence of the monomer, excimer, and aggregation. These phenomena are further accompanied by well-defined nanostructures. The self-assembly process of these structures exhibits an isodesmic growth mechanism, which is dependent on temperature. In this regard, it exhibits potential applicability in multi-mode logic gates that rely on external stimuli such as concentration, solvent, and temperature. The sensitivity of the aggregates towards chemical stimuli combined with their exceptionally bright emission characteristics renders them suitable for diverse applications including solid-state lighting sensing mechanisms and anticounterfeiting measures. The multi-stimuli responsive phosphorescence and self-assembly behaviors of the cationic platinum(II) complex were substantiated by X-ray crystal structure determination, 1H NMR analysis spectroscopic investigations, computational calculations and scanning electron microscopy (SEM) studies.

MR Imaging Reveals Dynamic Aggregation of Multivalent Glycoconjugates in Aqueous Solution.

Glycoconjugates forming from the conjugation of carbohydrates to other biomolecules, such as proteins, lipids, or other carbohydrates, are essential components of mammalian cells and are involved in numerous biological processes. Due to the capability of sugars to form multiple hydrogen bonds, many synthetic glycoconjugates are desirable biocompatible platforms for imaging, diagnostics, drugs, and supramolecular self-assemblies. Herein, we present a multimeric galactose functionalized paramagnetic gadolinium (Gd(III)) chelate that displays spontaneous dynamic aggregation in aqueous conditions. The dynamic aggregation of the Gd(III) complex was shown by the concentration-dependent magnetic resonance (MR) relaxation measurements, nuclear magnetic resonance dispersion (NMRD) analysis, and dynamic light scattering (DLS). Notably, these data showed a nonlinear relationship between magnetic resonance relaxation rate and concentrations (0.03-1.35 mM), and a large DLS hydrodynamic radius was observed in the high-concentration solutions. MR phantom images were acquired to visualize real-time dynamic aggregation behaviors in aqueous solutions. The in situ visualization of the dynamic self-assembling process of multivalent glycoconjugates has rarely been reported.

A simple technique for the determination of molybdenum (Ⅵ) based on dispersive surfactant micelle-mediated extraction and image colorimetric analysis

ABSTRACT In this study, the potential of dispersive surfactant micelle-mediated extraction combined with image colorimetric analysis was assessed for the extraction, preconcentration, and determination of molybdenum (VI) in environmental samples. In this approach, the cationic cetyltrimethylammonium bromide surfactant (CTAB) was utilised as a complexing and extraction agent, and ethanol was chosen as a dispersive solvent and surfactant self-assembly agent. Initially, a mixture of CTAB and ethanol is injected into a test tube, resulting in the formation of a cloudy solution due to the dispersion of CTAB particles in the aqueous phase. In this step, coloured ternary complexes obtained from the reaction of the Mo(VI) ions with pyrogallol red (PR) in the presence of iodide ions are extracted by CTAB through a surfactant self-assembly process. After centrifuging, the surfactant-rich phase was dissolved in 1 mL of dimethylformamide (DMF) and analysed using a smartphone-based self-constructed colorimeter and a commercial UV-Vis spectrophotometer. In the mentioned colorimeter, digital image analysis of the final solution was performed based on the RGB (Red, Green, Blue) colour model, and the value of the R channel was used to acquire the analytical signal. Under optimal conditions, a linear range of 5–100 μg L−1 and a limit of detection (LOD) of 2.1 μg L−1 were achieved using a self-constructed colorimeter. Additionally, linear range of 15–250 μg L−1, with a LOD of 3.3 μg L−1, was obtained through UV-Vis spectrophotometric analysis. Ultimately, the proposed method was successfully utilised to determine Mo(VI) in various aqueous samples, with satisfactory recoveries ranging from 96 to 109%.