Pairs Of Nanoparticles Research Articles

Hybridization of electromagnetic multipoles in a nanoscatterer in the presence of another nanoscatterer

Coupling between multipolar modes of different orders has not been investigated in depth, despite its fundamental and practical relevance in the context of optical metamaterials and metasurfaces. Here, we use an electromagnetic multipole expansion of both the scattered fields and the oscillating electric currents to reveal the multipolar excitations in a nanoparticle positioned close to another nanoparticle. The considered single-particle multipoles radically differ from multipoles excited in a pair of nanoparticles. Using the expansion, we reveal the multipole character of the electric currents and the contributions of the multipole moments to the scattering cross section of each particle, including the effect of their interaction. We find that light scattered by the particles plays the role of an inhomogeneous incident field for each of the particles, leading to hybridization of the originally independent orthogonal multipole resonances. For an incident plane wave polarized along the nanoparticle pair, the hybridization of the dipole and quadrupole resonances gives rise to a significant narrowband resonance in the spectrum of the dipole scattering, which can be of interest for various applications, e.g. in surface-enhanced fluorescence and Raman spectroscopy. In general, this work shows that the multipole-multipole interaction between nanoparticles must be treated by taking into account also such hybridized multipole resonances.

Universal Signal Switch Based on a Mesostructured Silica Xerogel-Confined ECL Polymer for Epigenetic Quantification.

The development of a highly accurate electrochemiluminescence (ECL) signal switch to avoid nonspecific stimulus responses is currently a significant and challenging task. Here, we constructed a universal signal switch utilizing a luminophore-quencher pair of mesostructured silica xerogel-confined polymer and gold nanoparticles (Au NPs) that can accurately detect low-abundance epigenetic markers in complex sample systems. Notably, the ECL polymer encapsulated in mesostructured silica xerogel acts as a luminophore, which demonstrated a highly specific dependence on the Au NPs-mediated energy transfer quenching. To demonstrate the feasibility, we specifically labeled the 5-hydroxymethylcytosine (5hmC) site on the random sequence using a double-stranded (dsDNA) tag that was skillfully designed with the CRISPR/Cas12a activator and recombinant polymerase amplification (RPA) template. After amplification by RPA, a large amount of dsDNA tag was generated as the activator to initiate the trans-cleavage activity of CRISPR/Cas12a and subsequently activate the signal switch, allowing for precise quantification of 5hmC. The ECL signal switch improves the stability of the luminophore and prevents nonspecific stimulus responses, providing a new paradigm for constructing high-precision biosensors.

Effect of high Hartmann number on thermal performance of SWCNT-Fe3O4 hybrid nanoenhanced PCM in magnetized minichannel

Numerical investigations are conducted to investigate the impact of the magnetic field on the molten phase formation and thermal performance of phase change material (PCM) incorporated with hybrid nanoparticles within a three-dimensional vertical channel subjected to differential heating. The PCM, lauric acid, is dispersed using nanoparticle pairings consisting of iron oxide combined with aluminum oxide, titanium dioxide, and single-wall carbon nanotubes. This study focuses on examining the melting characteristics under turbulent conditions, specifically at high Rayleigh (Ra) and Hartmann number (Ha) within the specified range of 106≤Ra≤1010 and 0≤Ha≤1500. The enthalpy-porosity method is being considered for evaluating the phase change characteristics with an in-house code. For Ha of 1500, the melting process influenced by thermal convection was effectively suppressed, leading to significant delays in the melting rates. The melting time and molten fraction of the PCM exhibit a decreasing trend in response to the applied magnetic field, which results in an 82.14% reduction in the heat transfer rate. The SWCNT-Fe3O4 nanoparticle pairs demonstrated superior thermal performance, as the melting fraction and convective heat transfer were increased by 84.03% and 43.83%, respectively. The thermal performance exhibits a decreasing relationship with the Hartmann number, resulting in a 23.87% reduction in the heat transfer of nanoenhanced lauric acid. The accuracy of the present mathematical model is confirmed through validation against experimental benchmark data.

Coarse-Grained Many-Body Potentials of Ligand-Stabilized Nanoparticles from Machine-Learned Mean Forces.

Colloidal nanoparticles self-assemble into a variety of superstructures with distinctive optical, structural, and electronic properties. These nanoparticles are usually stabilized by a capping layer of organic ligands to prevent aggregation in the solvent. When the ligands are sufficiently long compared to the dimensions of the nanocrystal cores, the effective coarse-grained forces between pairs of nanoparticles are largely affected by the presence of neighboring particles. In order to efficiently investigate the self-assembly behavior of these complex colloidal systems, we propose a machine-learning approach to construct effective coarse-grained many-body interaction potentials. The multiscale methodology presented in this work constitutes a general bottom-up coarse-graining strategy where the coarse-grained forces acting on coarse-grained sites are extracted from measuring the vectorial mean forces on these sites in reference fine-grained simulations. These effective coarse-grained forces, i.e., gradients of the potential of mean force or of the free-energy surface, are represented by a simple linear model in terms of gradients of structural descriptors, which are scalar functions that are rotationally invariant. In this way, we also directly obtain the free-energy surface of the coarse-grained model as a function of all coarse-grained coordinates. We expect that this simple yet accurate coarse-graining framework for the many-body potential of mean force will enable the characterization, understanding, and prediction of the structure and phase behavior of relevant soft-matter systems by direct simulations. The key advantage of this method is its generality, which allows it to be applicable to a broad range of systems. To demonstrate the generality of our method, we also apply it to a colloid-polymer model system, where coarse-grained many-body interactions are pronounced.

Cold damping of levitated optically coupled nanoparticles

Methods for controlling the motion of single particles, optically levitated in vacuum, have developed rapidly in recent years. The technique of cold damping makes use of feedback-controlled, electrostatic forces to increase dissipation without introducing additional thermal fluctuations. This process has been instrumental in the ground-state cooling of individual electrically charged nanoparticles. Here we show that the same method can be applied to a pair of nanoparticles, coupled by optical binding forces. These optical binding forces are about three orders of magnitude stronger than typical Coulombic inter-particle force and result in a coupled motion of both nanoparticles characterized by a pair of normal modes. We demonstrate cold damping of these normal modes, either independently or simultaneously, to sub-Kelvin temperatures at pressures of 5×10−3mbar. Experimental observations are captured by a theoretical model that we use to survey the parameter space more widely and to quantify the limits imposed by measurement noise and time delays. Our work paves the way for the study of quantum interactions between meso-scale particles and the exploration of multiparticle entanglement in levitated optomechanical systems.

2D Plasmonic Molecules via Hydrogen Bond Interaction between Polymer-Grafted Nanoparticles.

The use of macromolecular design features to regulate non-covalent bonding on the nanoscale is a young and emerging fabrication strategy for advanced nanostructures. For the first time, we describe a self-assembly method to create a series of 2D plasmonic molecules (PMs) using hydrogen-bond interaction between a pair of polymer-capped gold nanoparticles (hydrogen-bond donor and acceptor). Due to the nature of hydrogen-bond interaction, we found that polymer interaction and solvation compete with each other during the self-assembly process, which turns out to be the most important condition for controlling the coordination number of PMs. We have conducted an extensive study on the solvent effect, which has helped us to design and fabricate a series of precise PMs with high symmetry.

Multi-level Reliability-Based Design Optimization (RBDO) study for electronic cooling: Application of heat sink based on multiple phase change materials enhanced with carbon nanoparticles

Phase change materials represent efficient performances in the thermal management field. However, the low thermal conductivity poses a serious restraint for electronic cooling applications. Recently, the use of multiple phase change materials and the dispersion of nanoparticles are the most recommended techniques to improve the performance of the heat sink. In this study, a developed heat sink filled with multiple phase change materials (PCMs) enhanced with carbon nanoparticles was proposed. First, a parametric study was carried out to determine the optimal pair of phase change materials and nanoparticles. Then, deterministic design optimization and various reliability-based design optimization methods are performed. The optimization and reliability problems are solved by coupling the MATLAB optimization toolbox and the ANSYS Finite Element Model. The optimization-reliability results prove the efficiency of the Robust Hybrid Method in proposing a reliable and optimal heat sink design filled with multiple nano-enhanced phase change materials. The temperature is reduced by 25 % (16,5 °C) and the discharge time is reduced by 8,69 % (14 min) compared to the baseline heat sink.

Magnetoconvection driven melting of nanoenriched paraffin wax in cubical enclosure

The latent heat thermal energy storage using phase change material plays a vital role in thermal power production, solar energy storage and nuclear reactors. The dispersion of metallic nanoparticles into phase change material in the presence of magnetic field controls the natural convection induced melting process. This paper numerically investigates the thermo-magnetic turbulent convection induced melting of nanoenriched paraffin wax dispersed with hybrid magnetic nanoparticle pairs in a cubical enclosure with hot bottom wall. The magneto free convection effect on the melting process is investigated for high value of Hartmann number and Rayleigh number. The melting characteristics is modeled using enthalpy-porosity formulation discretized using finite difference technique and the computations are performed using an in-house three-dimensional code. It is found that the natural convection induced melting generates quadruplet thermal plume patterns from the melt zone. The dispersion of hybrid nanoparticle pairs of ferrous ferric oxide and multi-wall carbon nanotubes for particle volume fraction of 4% enhanced the melting fraction and average Nusselt number of paraffin wax by 75.21% and 42.16% respectively. The high Lorentz force developed for turbulent Hartmann number of 2000 diminished the convection induced melting phenomena. The melting time and melting rate of nanoenriched paraffin wax are a decreasing function of Hartmann number and it decreased the melt pool velocity and kinetic energy by 73.5% and 71.42%. The increase in Hartmann number decreased the average Nusselt number of nanoenhanced paraffin wax by 20.88%.

A trimodal detection paper chip for undisclosed drug "sibutramine" in nutraceuticals.

Nutraceuticals are promoted and marketed with the stated label of being natural as well as safe herbal products. In order to enhance their effectiveness, nutraceuticals are usually adulterated with undeclared constituents. Slimming herbs may contain sibutramine (SBT) which is an FDA-banned ingredient due to its fatal outcomes. This current work's aim is to design a trimodal sensor for SBT detection in different herbal slimming formulations. Screen-printed silver and multi-walled carbon nanotube inks were employed for the potentiometric sensor. The sensor was designed to fill a reaction well in which a carbon dot-silver nanoparticle pair was applied for fluorimetric and colorimetric purposes. The trimodal sensor was designed to fit an 8 mm 2-pin LED strip connector. Potentiometric measurement took place upon application of one sample aliquot then the optical reaction proceeded next in a specified zone for optical detection. These multiple detection mechanisms achieved the required selectivity for SBT determination in the presence of other slimming products' additives. This trimodal sensor satisfied World Health Organization standards for point-of-care devices demonstrating the suggested device as a dynamic part for rapid on-site detection of undisclosed SBT.

Multiplexed rapid antigen tests developed using multicolored nanoparticles and cross-reactive antibody pairs: Implications for pandemic preparedness

Global public health infrastructure is unprepared for emerging pathogen epidemics, in part because diagnostic tests are not developed in advance. The recent Zika, Ebola, and SARS-CoV-2 virus epidemics are cases in point. We demonstrate here that multicolored gold nanoparticles, when coupled to cross-reactive monoclonal antibody pairs generated from a single immunization regimen, can be used to create multiple diagnostics that specifically detect and distinguish related viruses. The multiplex approach for specific detection centers on immunochromatography with pairs of antibody-conjugated red and blue gold nanoparticles, coupled with clustering algorithms to detect and distinguish related pathogens. Cross-reactive antibodies were used to develop rapid tests for i) Dengue virus serotypes 1–4, ii) Zika virus, iii) Ebola and Marburg viruses, and iv) SARS-CoV and SARS-CoV-2 viruses. Multiplexed rapid antigen tests based on multicolored nanoparticles and cross-reactive antibodies and can be developed prospectively at low cost to improve preparedness for epidemic outbreaks.

Molecular Dynamics Simulation of Thermomechanical Properties of Hollow Palladium Nanoparticle Pairs during Additive Manufacturing

Molecular Dynamics Simulation of Thermomechanical Properties of Hollow Palladium Nanoparticle Pairs during Additive Manufacturing

The mathematical model of quantum dots pair orientation under laser radiation field

One approach for the formation of structures with complex geometries at the nanoscale is the step-by-step assembly. In this case, it is necessary to be able to estimate the time required to establish orientational equilibrium for a preformed pair of particles. This process is statistical in nature and depends on the mechanism of interaction of the ensemble with the external field. The orientation of particles in an alternating field is associated with certain relaxation times, which depend on the viscosity and temperature of the medium, as well as on the geometric structure of the samples. This paper proposes an mathematical model of the process of establishing the distribution of nanoparticles pairs orientations taking into account the friction force, thermal motion, and the orienting laser field. A statistical orientation distribution was obtained for CdTe particles in the field of moderate laser radiation, and the average time for establishing orientational equilibrium was estimated.

Functional-Group Effect of Ligand Molecules on the Aggregation of Gold Nanoparticles: A Molecular Dynamics Simulation Study.

In this paper, atomistic molecular dynamics simulations are performed for the systems consisting of functionalized gold nanoparticles (NPs) in a toluene medium. Gold NPs are coated with ligand molecules that have different terminal groups, that is, polar carboxyl (COOH), hydroxyl (OH), amine (NH2), and nonpolar methyl (CH3). These functional groups are selected to understand the relation between the aggregation behavior of functionalized gold NPs in toluene and the polarity of terminal groups of ligand molecules. The center-of-mass distances between NP pairs, the radial distribution functions, the mean square displacements, the radius of gyration, and the number of hydrogen bonds (H-bond) between ligand molecules are computed. Our simulation results indicate that functionalized gold NPs exhibit different aggregation/dispersion behaviors depending upon the terminal group of ligands.

Photo-induced processes of iron oxide nanoparticles to enhance laser therapy

Nanoparticles are used as drug carriers to increase the selectivity and effectiveness of therapy, as well as for combined therapy that utilizes different effects. Iron oxide nanoparticles are promising in this aspect. Due to magnetic properties, they can be used as a contrast agent for magnetic resonance imaging. Also, iron oxide nanoparticles could be coated with a photosensitizer for photodynamic therapy and their laser or magnetic heating can be used for phototherapy. Local enhancement of the electromagnetic field near iron oxide nanoparticles can increase the fluorescence intensity of photosensitizers and the efficiency of singlet oxygen generation. This paper presents the results of a study of iron oxide nanoparticles focused on the photophysical aspects of the formation of “hot spots” under laser irradiation. The photoinduced effects of iron oxide nanoparticles observed in in vitro experiments lead to the rupture of lysosomes. Theoretical modeling showed that the heating of iron oxide nanoparticles with a radius of 35 nm under the action of laser radiation is about 89°C and 19°C for wavelengths of 458 and 561 nm, respectively. Local field enhancement occurs in pairs of nanoparticles of various sizes and strongly depends on the distance between them. The maximum gain is achieved at small distances between nanoparticles. For a dimer of nanoparticles with radii of 10 and 35 nm at a distance of 1 nm, an enhancement factor of two orders of magnitude was obtained. The investigated phenomenon of «hot spots» is in demand for precision therapy, because the photo-induced processes occur at small distances between nanoparticles, in areas of their high accumulation.

Morphology-dependent resonance enhanced nonlinear photoacoustic effect in nanoparticle suspension: a temporal-spatial model.

The morphology-dependent resonances (MDRs) hotspot, ubiquity formed between the pairs of nanoparticles in close vicinity, has garnered considerable recent attention. By extending this phenomenon to pulse-laser irradiated nanoparticle suspension, we demonstrate that such collective optical/thermal enhancement can give rise to the nonlinear photoacoustic (PA) generation. In this study, a temporal-spatial analytical expression is derived to quantitatively describe the nonlinear PA signal generation from nanoparticles, incorporating the Grüneisen increase at the microscopic individual particle level and MRDs enhancement at the macroscopic suspension level. The dependence of PA nonlinearity on the critical contributors, including the laser pulse width, the particle size, and the statistical interparticle spacing, is quantitatively discussed. The theory is well validated with the finite element method (FEM) and experimentally proved with semiconducting polymer nanoparticles (SPN) suspension. This work may pave a new direction towards effective MDR based nonlinear PA contract agent design.

Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.

The theoretical prediction of drug-decorated nanoparticles (DDNPs) has become a very important task in medical applications. For the current paper, Perturbation Theory Machine Learning (PTML) models were built to predict the probability of different pairs of drugs and nanoparticles creating DDNP complexes with anti-glioblastoma activity. PTML models use the perturbations of molecular descriptors of drugs and nanoparticles as inputs in experimental conditions. The raw dataset was obtained by mixing the nanoparticle experimental data with drug assays from the ChEMBL database. Ten types of machine learning methods have been tested. Only 41 features have been selected for 855,129 drug-nanoparticle complexes. The best model was obtained with the Bagging classifier, an ensemble meta-estimator based on 20 decision trees, with an area under the receiver operating characteristic curve (AUROC) of 0.96, and an accuracy of 87% (test subset). This model could be useful for the virtual screening of nanoparticle-drug complexes in glioblastoma. All the calculations can be reproduced with the datasets and python scripts, which are freely available as a GitHub repository from authors.

Transient Dissipative Optical Properties of Aggregated Au Nanoparticles, CdSe/ZnS Quantum Dots, and Supramolecular Nucleic Acid-Stabilized Ag Nanoclusters.

Transient, dissipative, aggregation and deaggregation of Au nanoparticles (NPs) or semiconductor quantum dots (QDs) leading to control over their transient optical properties are introduced. The systems consist of nucleic acid-modified pairs of Au NPs or pairs of CdSe/ZnS QDs, an auxiliary duplex L1/T1, and the nicking enzyme Nt.BbvCI as functional modules yielding transient aggregation/deaggregation of the NPs and dynamically controlling over their optical properties. In the presence of a fuel strand L1', the duplex L1/T1 is separated, leading to the release of T1 and the formation of duplex L1/L1'. The released T1 leads to aggregation of the Au NPs or to the T1-induced G-quadruplex bridged aggregated CdSe/ZnS QDs. Biocatalytic nicking of the L1/L1' duplex fragments L1' and the released L1 displaces T1 bridging the aggregated NPs or QDs, resulting in the dynamic recovery of the original NPs or QDs modules. The dynamic aggregation/deaggregation of the Au NPs is followed by the transient interparticle plasmon coupling spectral changes. The dynamic aggregation/deaggregation of the CdSe/ZnS QDs is probed by following the transient chemiluminescence generated by the hemin/G-quadruplexes bridging the QDs and by the accompanying transient chemiluminescence resonance energy transfer proceeding in the dynamically formed QDs aggregates. A third system demonstrating transient, dissipative, luminescence properties of a reaction module consisting of nucleic acid-stabilized Ag nanoclusters (NCs) is introduced. Transient dynamic formation and depletion of the supramolecular luminescent Ag NCs system via strand displacement accompanied by a nicking process are demonstrated.

Interaction between dilute water vapor and dodecane thiol ligated Au nanoparticles: Hydrated structure and pair potential of mean force.

The interaction between two ligated nanoparticles depends on whether they are isolated or immersed in a liquid solvent. However, very little is known about the influence of solvent vapor on the interaction between two ligated nanoparticles. Recent experiments yield the surprising result that the cyclic exposure of solvent free suspended monolayers of dodecane thiol ligated gold nanoparticles (AuNPs) to water vapor and dry nitrogen generates reversible cyclic decreases and increases in Young's modulus of the monolayer, implying corresponding cyclic changes in the AuNP-AuNP interaction. We examine how water vapor interacts with an isolated dodecane thiol dressed AuNP and how water vapor affects the interaction between a pair of nanoparticles, using all-atom molecular-dynamics simulations. We find that there is condensation of water molecules onto the ligand shell of an AuNP in the form of clusters of 100-2000 molecules that partially cover the shell, with most of the water in a few large clusters. A water cluster bridges the AuNPs, with a sensibly constant number of water molecules for AuNP-AuNP separations from the edge-to-edge contact up to center-to-center separations of 100 Å. The wet AuNP-AuNP interaction has a slightly deeper and wider asymmetric well than does the dry interaction, a change that is qualitatively consistent with that implied by the observed water vapor induced change in Young's modulus of a monolayer of these AuNPs. We find that macroscopic analyses of water drop-deformable surface interactions and dynamics provide both guidance to understanding and qualitatively correct predictions of the phenomena observed in our simulations.

Versatile Silver Nanoparticles-Based SERS Substrate with High Sensitivity and Stability

Surface-enhanced Raman scattering has developed into a mature analytical technique useful in various applications; however, the reproducible fabrication of a portable SERS substrate with high sensitivity and good uniformity is still an ongoing pursuit. Reported herein is a rapid fabrication method of an inexpensive SERS substrate that enables sub-nanomolar detection of molecular analytes. The SERS substrate is obtained by application of silver nanoparticles (Ag NPs)-based ink in precisely design patterns with the aid of an in-house assembled printer equipped with a user-fillable pen. Finite-difference time-domain (FDTD) simulations show a 155-times Ag NP electric field enhancement for Ag nanoparticle pairs with particle spacing of 2 nm. By comparing the SERS performance of SERS substrate made with different support matrices and fabrication methods, the PET-printed substrate shows optimal performance, with an estimated sensitivity enhancement factor of 107. The quantitative analysis of rhodamine 6G absorbed on optimized SERS substrate exhibits a good linear relationship, with a correlation coefficient (R2) of 0.9998, between the SERS intensity at 610 cm−1 and the concentration in the range of 0.1 nM—1μM. The practical low limit detection of R6G is 10 pM. The optimized SERS substrates show good stability (at least one month) and have been effectively tested in the detection of cancer drugs, including doxorubicin and metvan.

Dual-quenching electrochemiluminescence resonance energy transfer system from IRMOF-3 coreaction accelerator enriched nitrogen-doped GQDs to ZnO@Au for sensitive detection of procalcitonin

Herein a novel electrochemiluminescence resonance energy transfer (ECL-RET) pair of isoreticular metal organic framework-3 (IRMOF-3) enriched nitrogen-doped graphene quantum dots (N-GQDs) luminescent material (N-GQDs@IRMOF-3@N-GQDs, donor) and Au nanoparticles modified zinc oxide nanorod (ZnO@Au, acceptor) were firstly designed to fabricate a dual-quenching sandwich-type ECL immunosensor for ultrasensitive analysis of procalcitonin (PCT). IRMOF-3 not only acted as a carrier for abundantly enriching luminescent N-GQDs by internal encapsulation and external decoration, but also a coreaction accelerator which could boost the transformation of persulfate ion S2O82− to generate more anion radical SO4−, so as to promote the ECL emission of N-GQDs. Additionally, Au nanoparticles were loaded onto the ZnO nanorods through in-situ modification to obtain ZnO@Au, which was firstly applied as a dual-quencher of ECL signal. In the best test environment, a wide detection range from 0.0001 to 100 ng mL−1 was obtained and the limit of detection is 12.58 fg mL−1 (S/N = 3). With excellent reproducibility and sensitivity, the practical test consequence of PCT in human serum samples was satisfactory. These results suggested that this sensing system could provide a reference model for effective detection of disease markers in clinical medicine.