Bioimaging Applications Research Articles

Elucidating Polyphosphate Anion Binding to Lanthanide Complexes Using EXAFS and Pulsed EPR Spectroscopy.

Reversible anion binding to lanthanide complexes in aqueous solution has emerged as an effective method for anion sensing. Through careful design of the organic ligand, luminescent lanthanide complexes capable of binding biologically relevant anions in a bidentate or monodentate manner can be realized. While single-crystal X-ray diffraction analyses and NMR spectroscopy have revealed the structural geometry of several host-guest complexes, the challenge remains in designing preorganized lanthanide receptors with enhanced anion selectivity for broader applications in diagnostics and bioimaging. To address this challenge, innovative and complementary methods to investigate host-anion binding geometry are becoming increasingly important. Herein, we demonstrate the combined use of Eu L3-edge extended X-ray absorption fine structure (EXAFS) and electron paramagnetic resonance (EPR) spectroscopy to elucidate the binding of nucleoside phosphates (ATP, ADP, and AMP) to a cationic lanthanide complex. We establish that ATP unequivocally binds the lanthanide center in a bidentate manner in water, while ADP adopts both bidentate and monodentate modes, and AMP binds in a monodentate manner. This interdisciplinary approach provides deeper insight into lanthanide host-guest chemistry in solution, laying the groundwork for designing emissive probes that undergo specific anion-induced structural changes and elicit desired optical responses upon binding.

Green Protocol for the Synthesis of Luminescent Carbon Nanodots Derived from Murraya Koenigii Leaves and Urea: Enhancing Photoluminescence for Advanced Bioimaging.

We have synthesized Murraya Koenigii leaves powder-derived carbon nanodots (CNDs) by hydrothermal method. A tribute to our commitment to environmental sustainability is the unique composition of our CNDs, which are made entirely of natural carbon sources and a green solvent, water. Our further efforts to improve performance led us to start making nitrogen-doped CNDs. By using urea as a non-toxic source of nitrogen, we observed a substantial increase in fluorescence intensity, extending the usefulness and potential of these nanomaterials. We investigated the optical properties using UV-Vis and fluorescence spectroscopy. The other parameters, like structural and size-shape morphology, were analyzed using FTIR, XRD, and HR-TEM, respectively. The fluorescence spectroscopy demonstrated their capability to exhibit wavelength-dependent photoluminescence (PL), highlighting the potential of these CNDs for cell bioimaging applications. The fluorescence properties affirm their suitability for biomedical applications, as they do not involve any inherent risk to cells.

ZGSO:Cr3+,Ni2+ Persistent Phosphors with Dual Emission in NIR-I and SWIR Ranges for Bio-Imaging Applications.

Persistent luminescence (PersL) is widely used for near infrared (NIR-I, 650-950nm) imaging as they allow getting images without background. Bio-imaging in the second shortwave-infrared region SWIR-II (NIR-II, 1000-1400nm) is less widespread but is growing as it offers the advantages of low photon scattering, increased in vivo penetration depth, and improved imaging clarity. In this work, the preparation and the complete optical properties of a new material is reported, Zn1.33Ga1.33Ni0.005Cr0.005Sn0.33O3.995 (ZGSO:Cr3+, Ni2+) able of emitting in both deep-red/NIR-I and SWIR (NIR-II) and shows its potential in bioimaging. ZGSO:Cr3+, Ni2+ can be excited using different sources such as X-rays, UV, and visible light to emit persistent signals in dual biological windows (dual-BW). By integrating an energy transfer process from Cr3+ to Ni2+ within this newly synthesized material, the influence of co-dopants on signal intensity and emission wavelengths is sought to explore. PersL at ≈700nm (NIR-I) and ≈1300nm (NIR-II) have been tested in preliminary bioimaging experiments using different protocols, allowing signal detection with good spatial resolution and depth sensitivity. The dual-BW PersL imaging strategy expands the toolbox for highly accurate analysis and has, for the first time, allowed access to accurately high-resolution sensing, and tracing.

Selective Recognition of the Dimeric NG16 Parallel G-Quadruplex Structure Using Synthetic Turn-On Red Fluorescent Protein Chromophore.

Red fluorescent protein (RFP)-based fluorescent probes that can selectively interact with specific nucleic acids are of great importance for therapeutic and bioimaging applications. Herein, we have reported the synthesis of RFP chromophores for selective recognition of G-quadruplex nucleic acids in vitro and ex vivo. We identified DFHBI-DM as a fluorescent turn-on probe that binds to the dimeric NG16 parallel quadruplex with superior selectivity and sensitivity over various parallel, antiparallel, and hybrid topologies. The binding of DFHBI-DM to NG16 exhibited excellent photophysical properties, including high binding affinity, large Stokes shift, high photostability, and quantum yield. The MD simulation study supports the 1:1 binding stoichiometry. It confirms the planar conformation of DFHBI-DM, which makes strong binding interactions with a flat quartet of NG16 compared to other antiparallel and hybrid topologies. The cell imaging and MTT assays revealed that DFHBI-DM is a biocompatible and efficient fluorescent probe for intracellular imaging of NG16. Overall, these results demonstrated that DFHBI-DM could be an effective fluorescent G4-stabilizing agent for the dimeric NG16 parallel quadruplex, and it could be a promising candidate for further exploration of bioimaging and therapeutic applications.

Photonic neuromorphic accelerators for event-based imaging flow cytometry

In this work, we present experimental results of a high-speed label-free imaging cytometry system that seamlessly merges the high-capturing rate and data sparsity of an event-based CMOS camera with lightweight photonic neuromorphic processing. This combination offers high classification accuracy and a massive reduction in the number of trainable parameters of the digital machine-learning back-end. The event-based camera is capable of capturing 1 Gevents/sec, where events correspond to pixel contrast changes, similar to the retina’s ganglion cell function. The photonic neuromorphic accelerator is based on a hardware-friendly passive optical spectrum slicing technique that is able to extract meaningful features from the generated spike-trains using a purely analogue version of the convolutional operation. The experimental scenario comprises the discrimination of artificial polymethyl methacrylate calibrated beads, having different diameters, flowing at a mean speed of 0.1 m/sec. Classification accuracy, using only lightweight digital machine-learning schemes has topped at 98.2%. On the other hand, by experimentally pre-processing the raw spike data through the proposed photonic neuromorphic spectrum slicer at a rate of 3 × 106 images per second, we achieved an accuracy of 98.6%. This performance was accompanied by a reduction in the number of trainable parameters at the classification back-end by a factor ranging from 8 to 22, depending on the configuration of the digital neural network. These results confirm that neuromorphic sensing and neuromorphic computing can be efficiently merged to a unified bio-inspired system, offering a holistic enhancement in emerging bio-imaging applications.

Co-Assembled Nanosystems Exhibiting Intrinsic Fluorescence by Complexation of Amino Terpolymer and Its Quaternized Analog with Aggregation-Induced Emission (AIE) Dye.

Aggregation-induced emission dyes (AIEs) have gained significant interest due to their unique optical properties. Upon aggregation, AIEs can exhibit remarkable fluorescence enhancement. These systems are ideal candidates for applications in bioimaging, such as image-guided drug delivery or surgery. Encapsulation of AIEs in polymeric nanocarriers can result in biocompatible and efficient nanosystems. Herein, we report the fabrication of novel nanoaggregates formulated by amino terpolymer and tetraphenylethylene (TPE) AIE in aqueous media. Poly(di(ethylene glycol) methyl ether methacrylate-co-2-(dimethylamino)ethylmethacrylate-co-oligoethylene glycol methyl ether methacrylate), P(DEGMA-co-DMAEMA-co-OEGMA) hydrophilic terpolymer was utilized for the complexation of the sodium tetraphenylethylene 4,4',4″,4‴-tetrasulfonate AIE dye. Fluorescence spectroscopy, physicochemical studies, and self-assembly in aqueous and fetal bovine serum media were carried out. The finely dispersed nanoparticles exhibited enhanced fluorescence compared to the pure dye. To investigate the role of tertiary amino groups in the aggregation phenomenon, the polymer was quaternized, and quaternized polymer nanocarriers were fabricated. The increase in fluorescence intensity indicated stronger interaction between the cationic polymer analog and the dye. A stronger interaction between the nanoparticles and fetal bovine serum was observed in the case of the quaternized polymer. Thus, P(DEGMA-co-DMAEMA-co-OEGMA) formulations are better candidates for bioimaging applications than the quaternized ones, presenting both aggregation-induced emission and less interaction with fetal bovine serum.

Single-Shot 3D Imaging Meta-Microscope.

Three-dimensional (3D) imaging enables high-precision and high-resolution axial positioning, which is crucial for biological imaging, semiconductor defect monitoring, and other applications. Conventional implementations rely on bulky optical elements or scanning mechanisms, resulting in low speed and complicated setups. Here, we generate the double-helix (DH) point spread function with an all-dielectric metasurface and thus innovate the 3D imaging microscope (hence dubbed meta-microscope), both in 4f and 2f imaging systems. The 4f-meta-microscope with a numerical aperture of 0.7 achieves an axial localization accuracy below 0.12 μm within a 15.47 μm detection range, while the 2f-DH meta-microscope with a numerical aperture of 0.3 shows a 1.12 μm accuracy within a 227.33 μm range. We also demonstrate single-shot and accurate 3D biological imaging of the mouse kidney tissue and peach anther, providing a comprehensive and efficient approach for 3D bioimaging and other applications through a single-shot 3D meta-microscope.

A colorimetric fluorescent probe for reversible detection of HSO3−/H2O2 and effective discrimination of HSO3−/ClO− and its application in food and bioimaging

In view of the significant role of reactive sulfur species (RSS) and reactive oxygen species (ROS) in maintaining the redox homeostasis of organisms, we proposed a colorimetric fluorescent probe (HTN) for reversible detection of HSO3−/H2O2 and effective discrimination of HSO3−/ClO−. C = C is the active site for the Michael addition of HSO3− and the oxidation of ClO−. When HTN interacts with HSO3− and ClO−, it exhibits fluorescence quenching. The addition of oxidizing H2O2 to the system can restore the conjugate structure of the addition product of HSO3− (HTN-HSO3−) and the fluorescence recovery, but it cannot restore the structure of the oxidation product of ClO− (HTN-ClO−). By studying the change of the reversibility/non-reversibility of the probe structure with the addition of H2O2, the purpose of reversible detection of HSO3−/H2O2 and distinguishing HSO3−/ClO− is achieved. In addition, HTN can not only be used as a fluorescent ink to detect HSO3− on the test paper, but also has excellent detection effect on HSO3− and ClO− in real food samples and water samples. Meantime, HTN has good biocompatibility and can target mitochondria to achieve reversible detection of HSO3−/H2O2 and effective discrimination of HSO3−/ClO− in living cells. Therefore, HTN has great potential as a molecular tool for studying redox homeostasis in the interaction network of complex living systems.

Ultrastable and Redispersible Zwitterionic Bottlebrush Micelles for Drug Delivery.

Bottlebrush copolymers are increasingly used for drug delivery and biological imaging applications in part due to the enhanced thermodynamic stability of their self-assemblies. Herein, we discuss the effect of hydrophilic block chemistry on the stability of bottlebrush micelles. Amphiphilic bottlebrushes with zwitterionic poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC) and nonionic polyethylene glycol (PEG) hydrophilic blocks were synthesized by "grafting from" polymerization and self-assembled into well-defined spherical micelles. Colloidal stability and stability against disassembly were challenged under high concentrations of NaCl, MgSO4, sodium dodecyl sulfate, fetal bovine serum, and elevated temperature. While both types of micelles appeared to be stable in many of these conditions, those with a PMPC shell consistently surpassed their PEG analogs. Moreover, when repeatedly subjected to lyophilization/resuspension cycles, PMPC micelles redispersed with no apparent variation in size or dispersity even in the absence of a cryoprotectant; PEG micelles readily aggregated. The observed excellent stability of PMPC micelles is attributed to the low critical micelle concentration of the bottlebrushes as well as to the strong hydration shell caused by ionic solvation of the phosphorylcholine moieties. Zwitterionic micelles were loaded with doxorubicin, and higher loading capacity/efficiency, as well as delayed release, was observed with increasing side-chain length. Finally, hemocompatibility studies of PMPC micelles demonstrated no disruption to the red blood cell membranes. The growing concern regarding the immunogenicity of PEG-based systems propels the search for alternative hydrophilic polymers; in this respect and for their outstanding stability, zwitterionic bottlebrush micelles represent excellent candidates for drug delivery and bioimaging applications.

Near-Infrared Persistent Luminescence of CaTiO3:Cr,Y for Imaging of Bone Implants Using Red-Light Illumination Instead of X-ray.

Near-infrared (NIR) persistent luminescence (PersL) materials have unique optical properties with promising applications in bioimaging and anticounterfeiting. However, their development is currently hindered by poor red-light-exciting ability. In this study, CaTiO3:Cr0.001,Y0.02 (CTCY) was synthesized with 650 nm-excited 772 nm NIR PersL. The Y3+ doping in the Ca2+ lattice plays a key role in the PersL property. A charge compensation mechanism was proposed, in which Cr3+ in the Ti4+ lattice was stabilized by Y3+-doping while oxygen vacancies were generated to store the excitation energy at the same time. A thermal ionization mechanism might elucidate the red-light-excited NIR PersL of CTCY, which benefits from the perovskite structure of CaTiO3. CTCY has 120 times more intense red-light-excited PersL than Zn3Ga2Ge2O10:Cr. Its potential applications in luminescence anticounterfeiting and bioimaging were demonstrated using a visible/NIR dual-channel PersL flower painting and a CTCY-labeled bone screw for in situ reactivable PersL imaging using red light illumination instead of X-ray, respectively. This study not only provides a new NIR PersL material but also will add to our understanding in developing other potential red-light- or even NIR-activable PersL materials with perovskite-like structures.

Synthesis, characterization, and in-vitro bioimaging applications of green emissive AgInS2-based core multi and alloyed shell (AgInS2/CdS/ZnS and AgInS2/ZnS/CdS) nanocrystals

This study explores the synthesis, characterization, and preliminary bioimaging applications of green-emissive AgInS2-based nanocrystals (NCs) featuring core-multi and alloyed shell structures, specifically AgInS2/CdS/ZnS and AgInS2/ZnS/CdS. The nanocrystals were synthesized using a controlled hot-injection method, which ensured the formation of uniform core–shell structures. Detailed characterization through X-ray diffraction (XRD), transmission electron microscopy (TEM), and photoluminescence spectroscopy confirmed the successful development of these core-multi and alloyed shell architectures. The photoluminescence quantum yields (QY) were determined to be approximately 25 % for AgInS2/CdS/ZnS and 30 % for AgInS2/ZnS/CdS, highlighting their efficient luminescent properties. In preliminary bioimaging studies, these nanocrystals exhibited effective cellular imaging capabilities. They showed pronounced fluorescence with minimal background interference in A549 and U87MG cells, suggesting their potential for precise and targeted imaging applications. Despite these promising results, further investigation is needed to fully understand the specificity of these nanocrystals and their interaction mechanisms with various cell types. The observed quantum yields and targeted imaging capabilities indicate that AgInS2-based nanocrystals are promising candidates for advanced bioimaging technologies.

Perovskite nanocrystals photo-initiated in situ encapsulation for optical tracking

Metal halide perovskite (CsPbX3, X = Cl, Br, I) nanocrystals (MHP NCs) have been widely investigated for a variety of optoelectronic applications due to their superior photophysical characteristics. However, the inherent poor stability has limited broad applications. Herein, a facile in situ photopolymerization strategy using MHP NCs as photo-initiators is designed to fabricate homogeneous perovskite-silicone composites with outstanding stability, flexibility, and scalability. The fabrication process is completed upon exposure to 30 W ultraviolet light for 5 min under ambient conditions without additional protections and additives. The composites have exceptional stability in air and can even withstand harsh conditions, such as a basic pH of 13 for six months. The mechanical properties of composites are tunable from rigid to elastic by regulating the composition, ratios of polymerization monomers, and reaction time. Their superb properties enable optical visualization tracking for magnetically driven soft robots. This convenient and effective approach opens a new pathway for future applications in optical tracking, soft displays, biological detection, and bioimaging of perovskite nanocrystals.

Rational design of an ultrabright quinolinium-fused rhodamine turn-on fluorescent probe for highly sensitive detection of SO2 derivatives: Applications in food safety and bioimaging

Sulfur dioxide (SO2) is an essential signaling molecule involved in various physiological processes within living organisms. Bisulfite (HSO3−) possesses antioxidant, antimicrobial, and preservative properties, making it a common food additive. However, elevated levels of SO2 or excessive HSO3− intake can lead to a range of diseases, highlighting the importance of detecting SO2 and its derivatives (HSO3−/SO32−). This study presents a quinolinium-fused rhodamine fluorogenic probe (RQB-R) for ultrafast, highly selective, and sensitive detection of HSO3−. The probe operates via a dual-response mechanism, exhibiting a visible color change and a transition from nonemissive to intense red fluorescence upon interaction with HSO3−. The detection mechanism involves a 1,4-nucleophilic addition reaction of HSO3− at the 4-position of the quinolinium unit, which bypasses the photoinduced electron-transfer fluorescence quenching pathway and activates the intramolecular charge transfer mechanism, thereby enhancing fluorescence emission. Practical applications of the RQB-R probe include rapid quantification of HSO3− levels in sugar samples and integration into smartphone-assisted detection platforms. This method demonstrates excellent biocompatibility and enables visualization of both exogenous and endogenous HSO3− within MCF-7 cells, with a specific focus on targeting mitochondria.

Ultrafast detection of bisulfite by a unique quinolinium-based fluorescent probe and its applications in smartphone-assisted food detection and bioimaging

Sulfur dioxide (SO2) is one of the major pollutants in the atmosphere, which is highly susceptible to inhalation by the human body and is converted into its derivatives (HSO3−/SO32−), which is hazardous to both human health and the ecological environment. Therefore the detection of SO2 derivatives (HSO3−/SO32−) is very important. In this work, we have prepared ID-QL, a water-soluble fluorescent probe based on the intramolecular charge transfer (ICT) mechanism, it exhibits colorimetric and fluorescent dual-channel response to HSO3− with ultrafast, highly selective and sensitive detection. In particular, ID-QL can be used for quantitative detection of HSO3− in real food samples. We developed a portable test strip for ID-QL and successfully combined it with smartphone to achieve convenient, low-cost and portable detection of HSO3− in real samples. The probe displays good mitochondrial targeting ability and can be used for visual monitoring and imaging of sulfites in live cells and zebrafish.

Nanogels in Biomedical Engineering: Revolutionizing Drug Delivery, Tissue Engineering, and Bioimaging

ABSTRACTNanogels represent a significant innovation in the fields of nanotechnology and biomedical engineering, combining the properties of hydrogels and nanoparticles to create versatile platforms for drug delivery, tissue engineering, bioimaging, and other biomedical applications. These nanoscale hydrogels, typically ranging from 10 to 1000 nm, possess unique characteristics such as high water content, biocompatibility, and the ability to encapsulate both hydrophilic and hydrophobic molecules. The review explores the synthesis, structural configurations, and stimuli‐responsive nature of nanogels, highlighting their adaptability for targeted drug delivery, including across challenging barriers like the blood–brain barrier. Furthermore, the paper delves into the biomedical applications of nanogels, particularly in drug delivery systems, tissue engineering, and bioimaging, demonstrating their potential to revolutionize these fields. Despite the promising preclinical results, challenges remain in translating these technologies into clinical practice, including issues related to stability, scalability, and regulatory approval. The review concludes by discussing future perspectives, emphasizing the need for further research to optimize the properties and applications of nanogels, ultimately aiming to enhance their efficacy and safety in clinical settings.

Doping of Mn2+ ion into boron quantum dots with enhanced fluorescence properties for sensing of L-thyroxine biomarker and bioimaging applications

L-thyroxine serves as a primary biomarker for diagnosing hypothyroidism and it is also utilized in hormone replacement therapy. Regular assessment of thyroxine levels is crucial for preventing health issues in hypothyroid patients, suggesting the requirement of a facile analytical tool for the detection of L-thyroxine. In this work, a straightforward and efficient synthetic method is introduced for in-situ preparation of Mn2+-doped boron quantum dots (Mn2+@B-QDs) derived from boron powder through a solvothermal reaction. The introduction of Mn2+ ion into B-QDs not only enhances fluorescence efficiency but also provides favorable sites within the QDs, expanding their potential applications in analytical chemistry. The blue fluorescent Mn2+ @B-QDs exhibited excellent performance for the selective recognition of L-thyroxine via a dynamic quenching mechanism. Under ideal conditions, a good linear relation was observed between the fluorescence emission intensity ratio of Mn2+@B-QDs and the concentration of L-thyroxine in the range of 0.125–5 μM, with a lower detection limit of 59.86 nM. The Mn2+@B-QDs exhibited the negligible cytotoxicity against A549 lung cancer cell lines and demonstrated good biocompatibility toward Saccharomyces cerevisiae cells.

A dual-state emission luminogen for lipid droplet imaging and photodynamic therapy

Organic luminogens with dual-state emission (DSE) have garnered widespread attention due to their versatility in the forms of both dilute solutions and solids. Despite the growing interest, most research on DSE focuses primarily on molecule design and photophysical investigation, with limited exploration of their practical applications. In this study, we introduce a novel fluorescent molecule, PCT, featuring a distinct D-π(A)-D′ electronic structure. PCT exhibited efficient DSE properties, with high quantum yields in both dilute solutions (ΦTHF = 52.3 %) and solid-state (Φsolid = 74.6 %). Taking advantage of PCT’s lipophilicity, we demonstrated its potential for targeted lipid droplet (LD) imaging in living cells and its utility in monitoring LD depletion during cellular starvation. To further enhance its applicability in photodynamic therapy (PDT), PCT was encapsulated within the amphiphilic triblock copolymer Pluronic F127, forming PCT@F127 nanoparticles with improved colloidal stability. These nanoparticles efficiently generated singlet oxygen (1O2) under white light irradiation, achieving a 1O2 quantum yield of 57.2 %. In vitro studies on MCF-7 cells revealed significant 1O2 generation and potent phototoxicity, leading to marked cell apoptosis and necrosis. These results underscore PCT’s multifunctionality as a DSEgen, with promising applications in both bioimaging and PDT.

Synthesis, Optical Spectroscopy, and Laser and Biomedical Imaging Application Potential of 2,4,6-Triphenylpyrylium Tetrachloroferrate and Its Derivatives.

Synthesis, optical spectroscopic properties, two-photon (TP) absorption-induced fluorescence, and laser and bioimaging application potentials of 2,4,6-triphenylpyrylium tetrachloroferrate (1),4-(4-methoxyphenyl)-2,6-diphenylpyrylium tetrachloroferrate (2), 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium tetrachloroferrate (3), and 2,4,6-tris(4-methoxyphenyl)pyrylium tetrachloroferrate (4) are presented. The synthesis involves the conversion of pyrylium tosylates to pyrylium chlorides, followed by transformation into 1-4 on heating to reflux with FeCl3 in acetonitrile. They are characterized using 1H and 13C NMR spectra in CD3OD, and FTIR and Raman spectroscopic techniques. The salts dissolve in organic solvents and water (pH = 7 to 3) even at high concentrations (10-3 M). These solutions absorb light strongly from 500-300 nm. Solutions of 1, 3, and 4 fluoresce with high quantum yield in the 500-700 nm spectral range. Salts 1 and 4 exhibit fluorescence lifetime shortening, line width narrowing, and free-running laser action under intense pulsed laser excitation. Toxicity and cell imaging studies using human cancer cell lines reveal that salts 1 and 3 function as cellular fluorophores in vitro and have no adverse effects on cellular viability at nanomolar ranges. Furthermore, acetonitrile and methanol solutions of salts 1, 3, and 4 exhibit strong two-photon absorption-induced fluorescence, opening potential applications in biomedical imaging and microscopy.

GraphBNC: Machine Learning-Aided Prediction of Interactions Between Metal Nanoclusters and Blood Proteins.

Hybrid nanostructures between biomolecules and inorganic nanomaterials constitute a largely unexplored field of research, with the potential for novel applications in bioimaging, biosensing, and nanomedicine. Developing such applications relies critically on understanding the dynamical properties of the nano-bio interface. This work introduces and validates a strategy to predict atom-scale interactions between water-soluble gold nanoclusters (AuNCs) and a set of blood proteins (albumin, apolipoprotein, immunoglobulin, and fibrinogen). Graph theory and neural networks are utilized to predict the strengths of interactions in AuNC-protein complexes on a coarse-grained level, which are then optimized in Monte Carlo-based structure search and refined to atomic-scale structures. The training data is based on extensive molecular dynamics (MD) simulations of AuNC-protein complexes, and the validating MD simulations show the robustness of the predictions. This strategy can be generalized to any complexes of inorganic nanostructures and biomolecules provided that one generates enough data about the interactions, and the bioactive parts of the nanostructure can be coarse-grainedrationally.

A simple benzothiazolium-based sensor for cyanide detection: Applications in environmental analysis and bioimaging

A new sensor based on Ethylbenzothiazolium-2-hydroxynaphthaldehyde conjugate-based fluorescent sensor, (E)-3-ethyl-2-(2-(2-hydroxynaphthalen-1-yl) vinyl) benzo[d]thiazol-3-ium iodide (SU-1) was designed and synthesized. The structure of SU-1 was confirmed by 1H NMR, 13C NMR, HRMS, and single crystal XRD spectral analysis. SU-1 displayed a colorimetric and fluorometric response in a DMSO:H2O (1:1,v/v) matrix, changing color from pale yellow to colorless visible to the naked eye, accompanied by a ∼ 120 nm red-shift in the absorption spectra upon CN− addition. This shift, due to formation of deprotonation followed by the nucleophilic attack on the benzothiazolium ring’s double bond, disrupts π-conjugation, blocking intramolecular charge transfer within SU-1. However, competitive anions showed negligible interference while detecting CN−. The Limit of detection for CN− was determined to be 0.27 nM, significantly below the WHO’s permissible CN− concentration in drinking water (1.9 μM). Job’s plot analysis shows that the binding stoichiometry of SU-1 to CN− is a 1:1, with a stability constant (Ka) of 1.58 x 104 M−1. The sensor demonstrated practical applications in environmental water samples and fluorescence imaging of intracellular CN− in CAD cell line.