Triplet Interaction Research Articles

Ultrasonic and volumetric investigation of aqueous disodium EDTA with PEG 400 and PEG 4000 at different temperatures

Polyethylene glycol (PEG) 400 and 4000 thermodynamic characteristics in water-based disodium ethylenediaminetetraacetic acid solutions provide important clues about the nature of the intermolecular interactions taking place in this liquid environment. In order to make these determinations, the present study reports data for density and sound velocity at a variety of temperatures and then analyses the volumetric-acoustic features of the solutions. The experimental data for PEG 400 and PEG 4000, which are polyethylene glycols, were recorded at a constant atmospheric pressure of 0.1 MPa and at temperatures ranging from 288.15 to 318.15 K. The values were 0.007, 0.008, and 0.009 mol·kg−1. From the experimental density and speed of sound values, the following are computed: apparent molar properties, partial molar properties, partial molar transfer properties, and the partial molar expansibility, along with its first derivative and thermal expansion coefficient. According to the co-sphere overlap model, the results are described using these generated parameters, these are thought of as the type of interactions taking place within the combination. This study also uses partial molar characteristics to assess the pair interaction coefficients and triplet interaction coefficients.

Role of interactions in nonequilibrium transformations.

For arbitrary nonequilibrium transformations in complex systems, we show that the distance between the current state and a target state can be decomposed into two terms: one corresponding to an independent estimate of the distance, and another corresponding to interactions, quantified using the relative mutual information between the variables. This decomposition is a special case of a more general decomposition involving successive orders of correlation or interactions among the degrees of freedom of the system. To illustrate its practical significance, we study the thermal relaxation of two interacting, optically trapped colloidal particles, where increasing pairwise interaction strength is shown to prolong the longevity of the time-dependent nonequilibrium state. Additionally, we study a system with both pairwise and triplet interactions, where our approach identifies their distinct contributions to the transformation. In more general setups where it is possible to control the strength of different orders of interactions, our findings provide a way to disentangle their effects and identify interactions that facilitate the transformation.

Thermo-acoustic properties of monosaccharides D(−)-ribose and D(+)-xylose in aqueous diammonium hydrogen phosphate solutions at different temperatures

The volumetric and acoustic properties are used for investigating the interactions of polyhydroxy solutes D(−)-ribose and D(+)-xylose in different concentrations of diammonium hydrogen phosphate (DAP) solutions. Densities and speeds of sound of D(−)-ribose and D(+)-xylose in aqueous diammonium hydrogen phosphate (DAP) solutions have been measured over a temperature range of (298.15–318.15) K and at experimental pressure p = 0.1 MPa. Different parameters viz apparent molar volumes, Vϕ, partial molar volumes, apparent molar isentropic compression, partial molar isentropic compression, partial molar volume of transfer and molar isentropic compression of transfer are obtained using experimental density and ultrasonic speed data. The calculated parameters are discussed in rapports of solute–solvent interactions in solutions indicated the presence of ion-ion, ion-polar, hydrophilic-hydrophilic and hydrophobic–hydrophobic interactions in these ternary solutions, which was also confirmed from obtained positive values of apparent molar volume and negative values of apparent molar isentropic compressibility. Pair (VAB, KAB) and triplet (VABB, KABB) interaction coefficients determined by means of McMillan-Mayer theory are used to acquire valuable information about the dominance of pairwise interactions in the studied mixtures.

A few-shot link prediction framework to drug repurposing using multi-level attention network

Drug repurposing is a strategy aiming at uncovering novel medical indications of approved drugs. This process of discovery can be effectively represented as a link prediction task within a medical knowledge graph by predicting the missing relation between the disease entity and the drug entity. Typically, the links to be predicted pertain to rare types, thereby necessitating the task of few-shot link prediction. However, the sparsity of neighborhood information and weak triplet interactions result in less effective representations, which brings great challenges to the few-shot link prediction. Therefore, in this paper, we proposed a meta-learning framework based on a multi-level attention network (MLAN) to capture valuable information in the few-shot scenario for drug repurposing. First, the proposed method utilized a gating mechanism and a graph attention network to effectively filter noise information and highlight the valuable neighborhood information, respectively. Second, the proposed commonality relation learner, employing a set transformer, effectively captured triplet-level interactions while remaining insensitive to the size of the support set. Finally, a model-agnostic meta-learning training strategy was employed to optimize the model quickly on each meta task. We conducted validation of the proposed method on two datasets specifically designed for few-shot link prediction in medical field: COVID19-One and BIOKG-One. Experimental results showed that the proposed model had significant advantages over state-of-the-art few-shot link prediction methods. Results also highlighted the valuable insights of the proposed method, which successfully integrated the components within a unified meta-learning framework for drug repurposing.

Unraveling the structural and dynamic heterogeneities of hydroxyl-functionalized di-cationic ionic liquids (HFDILs): An integrated ab initio and molecular dynamics approach

This study comprehensively investigates the effects of hydroxyl groups in side chains and cation symmetry on intra- and inter-molecular structures, dynamics, and thermodynamic properties of two hydroxyl-functionalized di-cationic ionic liquids (HFDILs). Using a combination of molecular dynamics (MD) simulations and quantum chemistry (QC) calculations, we compare the influence of these effects on various properties with corresponding non-hydroxyl DILs reported in previous works. The structure of HFDILs is explored using angle distribution, radial distribution, spatial distribution, and combined distribution functions. Also, the averaged noncovalent interaction (aNCI) analysis is used to characterize the weak noncovalent interactions in fluctuating environment of HFDILs. Results showed that the oxygen atoms of anion have the strongest interaction with the hydrogen atom of hydroxyl group, followed by the hydrogen atom at the top of the imidazolium ring. Domain analysis and Voronoi calculations are performed to investigate the number of polar and non-polar subunits, revealing that symmetric HFDILs with two hydroxyl groups in their side chains have greater structural heterogeneity than asymmetric ones with only one hydroxyl group due to the larger accumulation of non-polar subunits. To investigate dynamical heterogeneity, we calculate the non-Gaussian parameter, van Hove correlation, hydrogen bond, ion pair, ion cage, and reorientation dynamics. Results indicated that symmetric HFDILs have slower dynamics, greater dynamic heterogeneity, and more stability than asymmetric ones. Finally, the structure and strength of ion triplet interactions are examined using quantum mechanical methods, revealing that symmetric HFDILs are more stable than asymmetric ones. This study provides valuable information for understanding DILs and their potential applications in various fields.

The use of weighted multiple linear regression to estimate QTL × QTL × QTL interaction effects of winter wheat (Triticum aestivum L.) doubled-haploid lines

Knowledge of the magnitude of gene effects and their interactions, their nature, and contribution to determining quantitative traits is very important in conducting an effective breeding program. In traditional breeding, information on the parameter related to additive gene effect and additive-additive interaction (epistasis) and higher-order additive interactions would be useful. Although commonly overlooked in studies, higher-order interactions have a significant impact on phenotypic traits. Failure to account for the effect of triplet interactions in quantitative genetics can significantly underestimate additive QTL effects. Understanding the genetic architecture of quantitative traits is a major challenge in the post-genomic era, especially for quantitative trait locus (QTL) effects, QTL–QTL interactions, and QTL–QTL–QTL interactions. This paper proposes using weighted multiple linear regression to estimate the effects of triple interaction (additive–additive–additive) quantitative trait loci (QTL–QTL–QTL). The material for the study consisted of 126 doubled haploid lines of winter wheat (Mandub × Begra cross). The lines were analyzed for 18 traits, including percentage of necrosis leaf area, percentage of leaf area covered by pycnidia, heading data, and height. The number of genes (the number of effective factors) was lower than the number of QTLs for nine traits, higher for four traits and equal for five traits. The number of triples for unweighted regression ranged from 0 to 9, while for weighted regression, it ranged from 0 to 13. The total aaagu effect ranged from − 14.74 to 15.61, while aaagw ranged from − 23.39 to 21.65. The number of detected threes using weighted regression was higher for two traits and lower for four traits. Forty-nine statistically significant threes of the additive-by-additive-by-additive interaction effects were observed. The QTL most frequently occurring in threes was 4407404 (9 times). The use of weighted regression improved (in absolute value) the assessment of QTL–QTL–QTL interaction effects compared to the assessment based on unweighted regression. The coefficients of determination for the weighted regression model were higher, ranging from 0.8 to 15.5%, than for the unweighted regression. Based on the results, it can be concluded that the QTL–QTL–QTL triple interaction had a significant effect on the expression of quantitative traits. The use of weighted multiple linear regression proved to be a useful statistical tool for estimating additive-additive-additive (aaa) interaction effects. The weighted regression also provided results closer to phenotypic evaluations than estimator values obtained using unweighted regression, which is closer to the true values.

Novel Alzheimer’s disease genes and epistasis identified using machine learning GWAS platform

Alzheimer’s disease (AD) is a complex genetic disease, and variants identified through genome-wide association studies (GWAS) explain only part of its heritability. Epistasis has been proposed as a major contributor to this ‘missing heritability’, however, many current methods are limited to only modelling additive effects. We use VariantSpark, a machine learning approach to GWAS, and BitEpi, a tool for epistasis detection, to identify AD associated variants and interactions across two independent cohorts, ADNI and UK Biobank. By incorporating significant epistatic interactions, we captured 10.41% more phenotypic variance than logistic regression (LR). We validate the well-established AD loci, APOE, and identify two novel genome-wide significant AD associated loci in both cohorts, SH3BP4 and SASH1, which are also in significant epistatic interactions with APOE. We show that the SH3BP4 SNP has a modulating effect on the known pathogenic APOE SNP, demonstrating a possible protective mechanism against AD. SASH1 is involved in a triplet interaction with pathogenic APOE SNP and ACOT11, where the SASH1 SNP lowered the pathogenic interaction effect between ACOT11 and APOE. Finally, we demonstrate that VariantSpark detects disease associations with 80% fewer controls than LR, unlocking discoveries in well annotated but smaller cohorts.

Generalized geometric criteria for the absence of effective many-body interactions in the Asakura–Oosawa model

We investigate variants of the Asakura–Oosawa (AO) model for colloid-polymer mixtures, represented by hard classical particles interacting via their excluded volume. The interaction between the polymers is neglected but the colloid-polymer and colloid-colloid interactions are present and can be condensed into an effective depletion interaction among the colloids alone. The original AO model involves hard spherical particles in three spatial dimensions with colloidal radii R and the so-called depletion radius δ of the polymers, such that the minimum possible center-to-center distance between polymers and colloids allowed by the excluded-volume constraints is R + δ. It is common knowledge among physicists that there are only pairwise effective depletion interactions between the colloids if the geometric condition δ/R<2/3−1 is fulfilled. In this case, triplet and higher-order many body interactions are vanishing and the equilibrium statistics of the binary mixture can exactly be mapped onto that of an effective one-component system with the effective depletion pair-potential. Here we rigorously prove that the criterion δ/R<2/3−1 is both sufficient and necessary to guarantee the absence of triplet and higher-order many body interactions among the colloids. For an external hard wall confining the system, we also include a criterion which guarantees that the system can be exactly mapped onto one with effective external one-body interactions. Our general formulation also accounts for polydisperse mixtures and anisotropic shapes of colloids in any spatial dimension. In those cases where the resulting condition is only sufficient, we further demonstrate how to specify improved bounds.

Ab initio potential energy surfaces for the O2-O2 system and derived thermophysical properties.

New intermolecular potential energy surfaces (PESs) for the quintet, triplet, and singlet states of two rigid oxygen (O2) molecules in their triplet ground electronic states were developed. Quintet interaction energies were obtained for 896 O2-O2 configurations by supermolecular coupled cluster (CC) calculations at levels up to CC with single, double, triple, and perturbative quadruple excitations [CCSDT(Q)] with unrestricted Hartree-Fock (UHF) reference wave functions. Corrections for scalar relativistic effects were calculated as well. Triplet interaction energies were obtained by combining the quintet interaction energies with accurate estimates for the differences between the quintet and triplet energies obtained at the UHF-CCSD(T) level of theory. Here, we exploited the fact that the triplet state is almost identical to the readily accessible "broken-symmetry" state, as shown by Valentin-Rodríguez et al. [J. Chem. Phys. 152, 184304 (2020)]. The singlet interaction energies were estimated from the quintet and triplet interaction energies by employing the Heisenberg Hamiltonian description of the spin splittings. The three PESs are represented analytically by site-site models with five sites per molecule and anisotropic site-site interactions. To validate the PESs, we calculated at temperatures from 55 to 2000K the second virial coefficient using statistical thermodynamics and the shear viscosity, thermal conductivity, and self-diffusion coefficient in the dilute gas phase using the kinetic theory of molecular gases. The calculated property values are in excellent agreement with the most accurate experimental data from the literature. Therefore, we also propose new reference correlations for the investigated properties based solely on the calculated values.

Sticking Lifetime of Ultracold CaF Molecules in Triplet Interactions.

A six-dimensional potential energy surface is constructed for the spin-polarized triplet state of CaF-CaF by ab initio calculations at the CCSD(T) level of theory, followed by Gaussian process interpolation. The potential is utilized to calculate the density of states for this bialkaline-earth-halogen system where we find the value 0.038 μK-1, implying a mean resonance spacing of 26 μK in the collision complex. This value implies an associated Rice-Ramsperger-Kassel-Marcus lifetime of 1.8 μs, thus predicting long-lived complexes in collisions at ultracold temperatures.

Investigating the Solvation Behavior of Some Lithium Salts in Binary Aqueous Mixtures of 1-Ethyl-3-methylimidazolium Tetrafluoroborate ([EMIM][BF4]) at Equidistant Temperatures (T= 298.15, 303.15, 308.15, 313.15, 318.15) K

In the current work, measurements of density, as well as speed of sound, were made to analyze the solvation behavior of some lithium salts in binary aqueous mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF4]) at equidistant temperatures (T = 298.15, 303.15, 308.15, 313.15, 318.15) K and a pressure of 0.1 MPa. Various thermo-physical parameters like apparent and partial molar volumes (VØ and VØ0), apparent and partial molar isentropic compressions (KØ, S and KØ, S0), partial molar volume, and partial molar isentropic compression of transfer (ΔVØ0 and ΔKØ, S0) were calculated from the experimental data. McMillan–Mayer theory was used to calculate pairwise (AB) and triplet interactions (ABB) from the calculated coefficients. Based on the calculated parameters, the presence and paramountcy of solute-solvent synergy particularly hydrophilic interactions over hydrophobic interactions have been found for both LiClO4 and LiI in binary aqueous mixtures of [EMIM][BF4]. Furthermore, Hepler’s criterion has been employed to examine the potential of these salts as a structure maker/breaker.

Financial crisis in the framework of non-zero temperature balance theory.

In financial crises, assets see a deep loss of value, and the financial markets experience liquidity shortages. Although they are not uncommon, they may cause by multiple contributing factors which makes them hard to study. To discover features of the financial network, the pairwise interaction of stocks has been considered in many pieces of research, but the existence of the strong correlation between stocks and their collective behavior in crisis made us address higher-order interactions. Hence, in this study, we investigate financial networks by triplet interaction in the framework of balance theory. Due to detecting the contribution of higher-order interactions in understanding the complex behavior of stocks we take the advantage of the order parameter of the higher-order interactions. Looking at real data of the financial market obtained from S&P500 index(SPX) through the lens of balance theory for the quest of network structure in different periods (on and off-crisis) faces us with the existence of a structural difference of networks corresponding to the periods. Addressing two well-known crises the Great regression (2008) and the Covid-19 recession (2020), our results show an ordered structure forms in the on-crisis period in the financial network while stocks behave independently far from a crisis. The formation of the ordered structure of stocks in crisis makes the network more resilient to disorder (thermal fluctuations). The resistance of the ordered structure against applying the disorder measure the crisis strength and determine the temperature at which the network transits. There is a critical temperature, Tc, in the language of statistical mechanics and mean-field approach which above, the ordered structure destroys abruptly and a first-order phase transition occurs. The stronger the crisis, the higher the critical temperature.

Temperature-dependent enthalpy parameters of the molecular interaction for urea and tetramethylurea as solutes in formamide, ethylene glycol and water

Enthalpies of dilution of urea (U) solutions in formamide (FA), ethylene glycol (EG) and water were measured calorimetrically in the temperature range between (288.15 and 318.15) K. Based on the results obtained, the enthalpy-homotactic coefficients of pairwise (h22) and triplet (h222) interactions between the solvated U molecules were computed and compared with the similar data for the respective solutions of tetramethylurea (TMU). An analysis was done of how temperature influences the solvophilic and solvophobic effects manifested in the h22 and h222 parameters for U and TMU in the studied organic solvents with a spatial H-bonding network.

Evolution of solute–solvent interactions for aqueous 1-decyl-3-methylimidazolium bromide, [C10mim] [Br] solutions containing glycine/ glycylglycine through volumetric and acoustic studies

• New experimental density and speed of sound data have been collected. • Glycine/glycylglycine thermodynamic properties behaviour in aqueous IL has been examined. • Pair and Triplet interaction coefficient define the solute solvent interactions • The potential of co-solute to make and break structures has been interpreted. Volumetric and compressibility characteristics of ternary systems have been examined at temperatures T = 288.15 K−318.15 K at interval of 10 K and atmospheric pressure using vibrating tube densitometer DSA 5000 in order to investigate the interactions present in aqueous {glycine/glycylglycine + ionic liquid 1-decyl-3-methylimidazolium bromide} solutions. Using the experimental data for density, partial molar volume of transfer ( Δ V ϕ 0 ), limiting apparent molar volume ( V ϕ 0 ) have been computed. On the other hand speed of sound data utilized to calculate partial molar isentropic compression of transfer ( Δ K ϕ , S 0 ) and limiting apparent molar isentropic compression ( K ϕ , s 0 ). The ternary system's apparent molar and partially molar volumetric characteristics show that solute-solvent interactions prevail. The pair and triplet interaction coefficients determined from partial molar volumes of transfer and partial molar isentropic compression of transfer provide an explanation for the dominance of paired interactions.

Transport behaviour and FT-IR study of some protein model compounds + 1-butyl-3-methylimidazolium bromide mixtures at different temperatures

Low volatility, low flammability, thermal stability, and biocompatibility contributed to ILs' popularity as eco-friendly media. Therefore, ILs can provide some insights regarding the ability of proteins towards stability. The objective of these studies was to gain new insights into the ability of biomolecules to interact with one another, which is essential for comprehending the behaviour of proteins in solution. Several other properties, including viscosity B-coefficients, temperature coefficient (dB/dT), activation free energy of viscous flow per mole of solvent (Δμ1o#) and solute (Δμ2o#), thermodynamic activation parameter, ΔG2o1→1′, viscometric pair (ηAB) and triplet (ηABB) interaction coefficients along with activation free energy of enthalpy (ΔH2o#) and entropy (ΔS2o#) were obtained by the use of appropriate models. Solvation number (Sn) and hydration number (Nh) were also calculated along with group conributions. Fourier transform infrared spectroscopy (FTIR) has been recorded to perceive interactions among these ternary systems. The current study contributes to understanding the structure and molecular interactions between ILs, amino acids/proteins, and industrial processes.

Emergent hypernetworks in weakly coupled oscillators

Networks of weakly coupled oscillators had a profound impact on our understanding of complex systems. Studies on model reconstruction from data have shown prevalent contributions from hypernetworks with triplet and higher interactions among oscillators, in spite that such models were originally defined as oscillator networks with pairwise interactions. Here, we show that hypernetworks can spontaneously emerge even in the presence of pairwise albeit nonlinear coupling given certain triplet frequency resonance conditions. The results are demonstrated in experiments with electrochemical oscillators and in simulations with integrate-and-fire neurons. By developing a comprehensive theory, we uncover the mechanism for emergent hypernetworks by identifying appearing and forbidden frequency resonant conditions. Furthermore, it is shown that microscopic linear (difference) coupling among units results in coupled mean fields, which have sufficient nonlinearity to facilitate hypernetworks. Our findings shed light on the apparent abundance of hypernetworks and provide a constructive way to predict and engineer their emergence.

Theoretical Study of the Activation Reaction of a Zr+/P-Based Frustrated Lewis Pair with Carbon Dioxide.

The combination reactions of carbon dioxide with a Zr+/P-based frustrated Lewis pair (FLP) were computationally explored within the density functional theory framework [B3LYP-D3(BJ)/def2-TZVP]. Results showed that these reactions are exothermic, associated with relatively low activation barriers, and proceed concertedly involving Zr+-O and P-C chemical bond formations. Theoretical analysis revealed that the shorter the Zr+···P bond length of the Zr+/P-based FLP, the shorter the stretching O-C bond length of CO2 upon reaction, the larger the ∠OCO bending angle of CO2, the smaller the deformation energy of CO2, the lower the barrier height, and the greater the reactivity between the Zr+/P-based FLP and CO2. According to the energy decomposition analysis-natural orbitals for chemical valence, the bonding natures of their associated transition states are determined by the singlet-singlet interaction (donor-acceptor interaction), not the triplet-triplet interaction (electron-sharing interaction). Moreover, the bonding characteristics between Zr+/P-based FLPs and CO2 are established predominantly by the lone pair orbital(P) → the empty p-π* orbital (CO2) interaction, not the empty d-orbital(Zr+) ← the filled p-π orbital (CO2) interaction. With the use of the activation strain model, theoretical examinations showed that the reactivity trend of such combination reactions is mainly attributed to the deformation energies of the deformed reactants. The relationship between deformed geometrical structures and related activation energies is in good agreement with Hammond's postulate.

Frustration in a generalized kagomé Ising antiferromagnet: Exact results.

We obtain the exact ground-state phase diagram of a generalized kagomé antiferromagnet with both pair and triplet interactions, J_{2} and J_{3}, respectively, in the presence of a magnetic field h appropriately tuned. We find that when the pair interaction J_{2}<0 dominates, the ground state is geometrically frustrated; on the other hand, the ground state is disordered but not frustrated when the triplet interaction J_{3} dominates, the boundaries between the two cases being at J_{3}=±J_{2}. The exact ground-state crossover lines between the two distinct types of disorder remain identifiable crossover curves at finite temperatures. In the frustrated domain, the ground state of the three-parameter model is identical to the ground state of the prototype one-parameter (J_{2}<0) model of geometrical frustration. Towards further understanding the frustration domain of the three-parameter model, a closed-form approximation (exact at zero temperature) determines solutions on a two-parameter subspace for induced magnetization and parallel magnetic susceptibility at finite fields h and temperatures T, the inverse susceptibility showing a Curie-Weiss behavior. We argue that the existence of an exact T=0 threshold magnetic field, below which the magnetization remains zero, indicates the existence of a gapped spectrum attributable to the presence of the triplet interaction J_{3}.

Study of thermodynamic parameters of ternary solutions of polyethylene glycols in aqueous biotin solutions at multiple temperatures

The thermodynamic properties of polyethylene glycols (PEG 200 and PEG 400) within aqueous solutions of biotin that reveals crucial information concerning the intermolecular interactions developing in the liquid system. These assessments are made through analysing the volumetric-acoustic properties of the solutions that are determined using the density and speed of sounds values corresponding multiple temperatures which are reported in the current study. These experimental values for polyethylene glycols (PEG 200/PEG 400) are observed at constant 0.1 MPa atmospheric pressure in (0.0000, 0.0024, 0.0032, and 0.0040) mol·Kg-1 and at different temperatures (288.15–318.15 K). Apparent molar properties (i.e., Vϕ; Kϕ,S), partial molar properties (i.e., Vϕ0; Kϕ,S0), partial molar transfer properties (i.e., ΔVϕ0; ΔKϕ,S0) and the partial molar expansibility (Eϕ0) are calculated, which is accompanied by its first derivative ∂Eϕ0/∂TP, from the obtained experimental density and speed of sound values. With these derived parameters the results are discussed which are interpreted as the nature of interactions occurring inside the mixture in accordance with the co-sphere overlap model. The pair and triplet interaction coefficients (i.e., VAB,KAB; VABB,KABB) are also evaluated in the present investigation using the partial molar properties. Also, for the ternary mixture of (biotin + water + PEGs) the hydration number (nh) is determined from compressibility data using Passynski's equation, where the findings are described in terms of cooperative hydrophobic interactions and hydration effects.

Studies related to changes in ionic strength due to addition of sodium chloride to an aqueous solution of cationic dye methylene blue (MB): Electronic spectra analysis for dimerization equilibria

It is well-known that methylene blue (MB),a cationic dye forms dimer and higher aggregates in aqueous solutions. For specific concentration range (1∙10−6–1∙10−4 M), a D⇌2M equilibria has been postulated and well characterized by visible electronic spectroscopy. The dye molecules can lead to formation of stacking (end on end and sandwich) type structures in solution phase stabilized by weak dispersion van der Waals forces and cation-anion-cation ion pairs and triplet interactions usually referred as hydrophobic interactions. Recent literature reports indicate that excess chemical potential of small hydrophobic particles and the strength of hydrophobic pair interactions appear to be linearly related. Our observations about precipitation of dye (MB) at higher concentrations of salt like sodium chloride (NaCl) made us to study the dimerization equilibria in detail since in the Corona health disaster; use of MB to diagnose the type of Covid variants helped Scientists in a great way. Salting-out of proteins is in general used to explain the specific protein aggregation behaviour observed in Huntington's disease. For model compound like tertiary butyl-alcohol, Geiger et al. reported enhancement of hydrophobic contacts which increase with increase in salt concentration. NaCl is an essential ingredient of biological fluids, of which concentration controls the various biological life governing processes. However, such information is non-existent for aqueous solutions of dyes.We therefore reported measured optical absorbance of aqueous solution containing NaCl (0.1–1.0 M) and dye at different concentrations (1∙10−6–1∙10−4 M) at 298 K spectrophotometrically, in the wavelength range of 550–700 nm. The spectrums are compared to those obtained for binary solutions of MB in water. Analysis of the spectral data yielded the dimer dissociation constant and individual characteristic monomer and dimer spectra. Further information about the geometry and twist angle between the dipoles of the MB molecules in the dimer species has been obtained. The results are analyzed for the monomer-dimer equilibria and salting-out effect as well applications of mass action model and exciton theories are discussed.